A0A077ZG00_TRITR Loading...

LysR substrate and HTH 1 domain containing protei n

AlphaFold DB , UniProt , Accession A0A077ZG00, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 273 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
1M44.2Very low80.2Confident217 Ų217112.9 Ų112.9100%1.06959%0.594SS**  0110.50-166.3-174.6-67.100107.2V3M1-V3 HydrophobicContact CG-CG2 3.93Å; M1-V3 HydrophobicContact SD-CG2 4.02Å
2H56.2Low81.3Confident203 Ų203106.4 Ų106.494%0.9456%0.56SS**  trans-95.897.3174.6-73.2178.1000108.1
3V74.9Confident82.2Confident60 Ų60105.8 Ų105.836%0.36455%0.552SS.*  trans-91.6133170.8-164.20000106.8M1 T7 L8M1-V3 HydrophobicContact CG-CG2 3.93Å; M1-V3 HydrophobicContact SD-CG2 4.02Å; V3-T7 HydrophobicContact CG1-CG2 3.59Å; V3-L8 HydrophobicContact CG1-CB 4.4Å
4S85.2Confident83.1Confident51 Ų51110.6 Ų110.636%0.35756%0.559SS.*  trans-63.5147.4177.582.40000110.1S6 T7 L8S4-S6 PolarHBondContact O-N 2.78Å; S4-S6 PolarHBondContact OG-OG 2.95Å; S4-S6 VanDerWaalsContact OG-OG 3.06Å; S4-T7 PolarHBondContact O-N 3.09Å; S4-T7 WeakPolarHBondContact OG-CB 3.39Å; S4-T7 PolarHBondContact OG-N 3.06Å; S4-T7 VanDerWaalsContact OG-N 3.09Å; S4-T7 PolarHBondContact OG-OG1 3.43Å; S4-L8 PolarHBondContact O-N 3.06Å
5P83.7Confident83.9Confident107 Ų107107.7 Ų107.770%0.69555%0.545SS*.Hα-helixtrans-52.9-38.8177.5-28.435.1000113L8 S9P5-L8 PolarHBondContact O-N 3.1Å; P5-S9 PolarHBondContact O-N 3.04Å; P5-S9 PolarHBondContact O-OG 3.18Å; P5-S9 VanDerWaalsContact O-OG 3.04Å
6S87.7Confident84.8Confident75 Ų75102.7 Ų102.752%0.52452%0.519SS..Hα-helixtrans-69.8-37.4178.459.50000113.1S4 R10S4-S6 PolarHBondContact O-N 2.78Å; S4-S6 PolarHBondContact OG-OG 2.95Å; S4-S6 VanDerWaalsContact OG-OG 3.06Å; S6-R10 WeakPolarHBondContact O-CG 3.37Å; S6-R10 PolarHBondContact O-N 2.92Å; S6-R10 VanDerWaalsContact O-N 3.1Å
7T89.2Confident85.4Confident63 Ų63104.1 Ų104.139%0.38752%0.524SS..Hα-helixtrans-65.3-43.5173.9-570000111V3 S4 R10 Q11V3-T7 HydrophobicContact CG1-CG2 3.59Å; S4-T7 PolarHBondContact O-N 3.09Å; S4-T7 WeakPolarHBondContact OG-CB 3.39Å; S4-T7 PolarHBondContact OG-N 3.06Å; S4-T7 VanDerWaalsContact OG-N 3.09Å; S4-T7 PolarHBondContact OG-OG1 3.43Å; T7-R10 PolarHBondContact O-N 3.14Å; T7-Q11 PolarHBondContact O-N 2.98Å
8L87.4Confident86.1Confident85 Ų85104.8 Ų104.845%0.44553%0.529SS..Hα-helixtrans-62.7-46.6176.6-179.462.3000111.2V3 S4 P5 R10 Q11 I12V3-L8 HydrophobicContact CG1-CB 4.4Å; S4-L8 PolarHBondContact O-N 3.06Å; P5-L8 PolarHBondContact O-N 3.1Å; L8-R10 VanDerWaalsContact C-N 3.28Å; L8-R10 PolarHBondContact O-N 3.33Å; L8-Q11 PolarHBondContact O-N 2.9Å; L8-Q11 VanDerWaalsContact O-N 3.14Å; L8-I12 HydrophobicContact CD1-CD1 4.25Å; L8-I12 HydrophobicContact CD1-CG1 4.47Å; L8-I12 HydrophobicContact CG-CD1 4.02Å; L8-I12 WeakPolarHBondContact O-CG1 3.43Å; L8-I12 PolarHBondContact O-N 2.95Å
9S88.5Confident86.6Confident65 Ų65104.2 Ų104.246%0.45553%0.527SS..Hα-helixtrans-58-39.2176.5-640000112.6P5 I12 Q13P5-S9 PolarHBondContact O-N 3.04Å; P5-S9 PolarHBondContact O-OG 3.18Å; P5-S9 VanDerWaalsContact O-OG 3.04Å; S9-I12 PolarHBondContact O-N 3.47Å; S9-Q13 WeakPolarHBondContact O-CB 3.46Å; S9-Q13 PolarHBondContact O-N 3.06Å
10R92Very high87.1Confident193 Ų193101.9 Ų101.973%0.72853%0.53SS*.Hα-helixtrans-68.1-37.9176.1-74.1178.9-178.4-162.10.6113S6 T7 L8 Q13 R14S6-R10 WeakPolarHBondContact O-CG 3.37Å; S6-R10 PolarHBondContact O-N 2.92Å; S6-R10 VanDerWaalsContact O-N 3.1Å; T7-R10 PolarHBondContact O-N 3.14Å; L8-R10 VanDerWaalsContact C-N 3.28Å; L8-R10 PolarHBondContact O-N 3.33Å; R10-Q13 PolarHBondContact O-N 3.31Å; R10-R14 WeakPolarHBondContact O-CB 3.4Å; R10-R14 PolarHBondContact O-N 3.49Å
11Q93.3Very high87.5Confident123 Ų123102.2 Ų102.258%0.57553%0.53SS*.Hα-helixtrans-65.8-41.9175.3-75.1-173-27.800111.5T7 L8 R14 L15T7-Q11 PolarHBondContact O-N 2.98Å; L8-Q11 PolarHBondContact O-N 2.9Å; L8-Q11 VanDerWaalsContact O-N 3.14Å; Q11-R14 PolarHBondContact O-N 3.36Å; Q11-L15 WeakPolarHBondContact O-CB 3.41Å; Q11-L15 PolarHBondContact O-N 2.93Å
12I92.9Very high90Very high35 Ų3595.4 Ų95.418%0.17950%0.501CS..Hα-helixtrans-62.3-48.9174.6-68.7168.5000110.1L8 S9 R14 L15 E16 F24L8-I12 HydrophobicContact CD1-CD1 4.25Å; L8-I12 HydrophobicContact CD1-CG1 4.47Å; L8-I12 HydrophobicContact CG-CD1 4.02Å; L8-I12 WeakPolarHBondContact O-CG1 3.43Å; L8-I12 PolarHBondContact O-N 2.95Å; S9-I12 PolarHBondContact O-N 3.47Å; I12-R14 VanDerWaalsContact C-N 3.31Å; I12-R14 PolarHBondContact O-N 2.86Å; I12-L15 WeakPolarHBondContact O-CB 3.5Å; I12-L15 PolarHBondContact O-N 3.03Å; I12-E16 HydrophobicContact CG2-CG 4.26Å; I12-E16 WeakPolarHBondContact O-CG 3.45Å; I12-E16 PolarHBondContact O-N 3.46Å; I12-F24 HydrophobicContact CD1-CE2 3.83Å; I12-F24 HydrophobicContact CD1-CZ 4.23Å; I12-F24 HydrophobicContact CG1-CE2 4.16Å; I12-F24 HydrophobicContact CG2-CD2 3.59Å; I12-F24 HydrophobicContact CG2-CE2 3.54Å
13Q93.1Very high91.8Very high99 Ų9985.8 Ų85.846%0.46346%0.457SS..Hα-helixtrans-59.6-42.7-179.8-173.1-175.9-15.500111.7S9 R10 L15 E16 E17S9-Q13 WeakPolarHBondContact O-CB 3.46Å; S9-Q13 PolarHBondContact O-N 3.06Å; R10-Q13 PolarHBondContact O-N 3.31Å; Q13-L15 VanDerWaalsContact C-N 3.29Å; Q13-L15 PolarHBondContact O-N 3.37Å; Q13-E16 WeakPolarHBondContact O-CB 3.36Å; Q13-E16 PolarHBondContact O-N 2.97Å; Q13-E17 PolarHBondContact NE2-OE1 3.27Å; Q13-E17 WeakPolarHBondContact O-CB 3.42Å; Q13-E17 WeakPolarHBondContact O-CG 3.38Å; Q13-E17 PolarHBondContact O-N 2.85Å
14R95.7Very high92.8Very high172 Ų17285.6 Ų85.665%0.64945%0.451SS*.Hα-helixtrans-61.6-39.1175.4-176.7176.3177.6172.12.2111.9R10 Q11 I12 E17 D18R10-R14 WeakPolarHBondContact O-CB 3.4Å; R10-R14 PolarHBondContact O-N 3.49Å; Q11-R14 PolarHBondContact O-N 3.36Å; I12-R14 VanDerWaalsContact C-N 3.31Å; I12-R14 PolarHBondContact O-N 2.86Å; R14-E17 PolarHBondContact O-N 3.22Å; R14-D18 WeakPolarHBondContact O-CB 3.49Å; R14-D18 PolarHBondContact O-N 3.05Å
15L95.1Very high93.1Very high67 Ų6787 Ų8735%0.35146%0.458SS..Hα-helixtrans-68.7-38.2177.4-167.662.8000112Q11 I12 Q13 D18 L19 L23 L40Q11-L15 WeakPolarHBondContact O-CB 3.41Å; Q11-L15 PolarHBondContact O-N 2.93Å; I12-L15 WeakPolarHBondContact O-CB 3.5Å; I12-L15 PolarHBondContact O-N 3.03Å; Q13-L15 VanDerWaalsContact C-N 3.29Å; Q13-L15 PolarHBondContact O-N 3.37Å; L15-D18 PolarHBondContact O-N 2.88Å; L15-L19 HydrophobicContact CD1-CD1 4.29Å; L15-L19 HydrophobicContact CG-CD1 4.05Å; L15-L19 WeakPolarHBondContact O-CB 3.36Å; L15-L19 VanDerWaalsContact O-CG 3.28Å; L15-L19 WeakPolarHBondContact O-CG 3.34Å; L15-L19 PolarHBondContact O-N 3.27Å; L15-L23 HydrophobicContact CB-CD1 4.2Å; L15-L23 HydrophobicContact CD2-CD1 3.91Å; L15-L23 HydrophobicContact CG-CD1 3.93Å; L15-L40 HydrophobicContact CD2-CD1 4.22Å; L15-L40 HydrophobicContact CD2-CD2 3.35Å; L15-L40 HydrophobicContact CD2-CG 4.38Å; L15-L40 HydrophobicContact CG-CD2 4.19Å
16E97.1Very high93.3Very high28 Ų2888.8 Ų88.813%0.13145%0.45CS..Hα-helixtrans-61.9-42.7171.8-68.4178.9138.100111.1I12 Q13 G20 Q21 L23 F24 R26I12-E16 HydrophobicContact CG2-CG 4.26Å; I12-E16 WeakPolarHBondContact O-CG 3.45Å; I12-E16 PolarHBondContact O-N 3.46Å; Q13-E16 WeakPolarHBondContact O-CB 3.36Å; Q13-E16 PolarHBondContact O-N 2.97Å; E16-G20 WeakPolarHBondContact O-CA 3.49Å; E16-G20 PolarHBondContact O-N 3.46Å; E16-Q21 WeakPolarHBondContact CA-O 3.28Å; E16-Q21 WeakPolarHBondContact CB-O 3.35Å; E16-Q21 PolarHBondContact O-N 3.41Å; E16-L23 HydrophobicContact CG-CB 3.95Å; E16-L23 HydrophobicContact CG-CD1 3.8Å; E16-L23 HydrophobicContact CG-CG 3.74Å; E16-L23 PolarHBondContact OE1-N 2.93Å; E16-F24 PolarHBondContact OE1-N 3.32Å; E16-R26 IonicContact OE1-NH2 3.81Å; E16-R26 IonicContact OE2-NH2 3.27Å; E16-R26 PolarHBondContact OE2-NH2 3.01Å
17E96.6Very high93Very high127 Ų12790.4 Ų90.459%0.59345%0.453SS*.Hα-helixtrans-64.8-45.2175.5-74.1170-166.500111.9Q13 R14 G20Q13-E17 PolarHBondContact NE2-OE1 3.27Å; Q13-E17 WeakPolarHBondContact O-CB 3.42Å; Q13-E17 WeakPolarHBondContact O-CG 3.38Å; Q13-E17 PolarHBondContact O-N 2.85Å; R14-E17 PolarHBondContact O-N 3.22Å; E17-G20 PolarHBondContact O-N 2.92Å
18D96.5Very high92.6Very high116 Ų11695.3 Ų95.362%0.6248%0.477SS*.Hα-helixtrans-66.7-36.1179.9-72.7-19.2000112.1R14 L15R14-D18 WeakPolarHBondContact O-CB 3.49Å; R14-D18 PolarHBondContact O-N 3.05Å; L15-D18 PolarHBondContact O-N 2.88Å
19L95.9Very high92.4Very high93 Ų93102.2 Ų102.249%0.48750%0.498SS..Hα-helixtrans-85.7-15.4177.6-67173.2000113.5L15 Q21 L23 L40L15-L19 HydrophobicContact CD1-CD1 4.29Å; L15-L19 HydrophobicContact CG-CD1 4.05Å; L15-L19 WeakPolarHBondContact O-CB 3.36Å; L15-L19 VanDerWaalsContact O-CG 3.28Å; L15-L19 WeakPolarHBondContact O-CG 3.34Å; L15-L19 PolarHBondContact O-N 3.27Å; L19-Q21 PolarHBondContact O-N 3.35Å; L19-L23 HydrophobicContact CD1-CD1 4.3Å; L19-L23 HydrophobicContact CD1-CD2 3.97Å; L19-L40 HydrophobicContact CD1-CD1 4.4Å; L19-L40 HydrophobicContact CD1-CD2 4.44Å
20G96.4Very high92.2Very high58 Ų58103.1 Ų103.160%0.59850%0.5SS*.THydrogen-bonded Turntrans65.820.8-175.100000114.1E16 E17E16-G20 WeakPolarHBondContact O-CA 3.49Å; E16-G20 PolarHBondContact O-N 3.46Å; E17-G20 PolarHBondContact O-N 2.92Å
21Q96.3Very high92.1Very high110 Ų11098.3 Ų98.351%0.51449%0.492SS..SBendtrans-137.3137.1-178.9-69-65.7-21.300110.4E16 L19 L23 A36E16-Q21 WeakPolarHBondContact CA-O 3.28Å; E16-Q21 WeakPolarHBondContact CB-O 3.35Å; E16-Q21 PolarHBondContact O-N 3.41Å; L19-Q21 PolarHBondContact O-N 3.35Å; Q21-L23 PolarHBondContact O-N 3.14Å; Q21-A36 HydrophobicContact CB-CB 3.93Å; Q21-A36 HydrophobicContact CG-CB 4.4Å
22P95.6Very high92.1Very high73 Ų7396 Ų9647%0.47449%0.487SS..  trans-65.3135.1167.129.3-32.3000109.1T34P22-T34 HydrophobicContact CB-CG2 4.47Å; P22-T34 HydrophobicContact CG-CG2 4.49Å; P22-T34 WeakPolarHBondContact O-CB 3.48Å; P22-T34 WeakPolarHBondContact O-CG2 3.31Å; P22-T34 PolarHBondContact O-OG1 2.95Å
23L95.7Very high92.2Very high2 Ų297.3 Ų97.31%0.0149%0.493CS..  trans-97.7-19.7178.9-63.4168.6000111.3L15 E16 L19 Q21 L33 T34 A36 G37 L40L15-L23 HydrophobicContact CB-CD1 4.2Å; L15-L23 HydrophobicContact CD2-CD1 3.91Å; L15-L23 HydrophobicContact CG-CD1 3.93Å; E16-L23 HydrophobicContact CG-CB 3.95Å; E16-L23 HydrophobicContact CG-CD1 3.8Å; E16-L23 HydrophobicContact CG-CG 3.74Å; E16-L23 PolarHBondContact OE1-N 2.93Å; L19-L23 HydrophobicContact CD1-CD1 4.3Å; L19-L23 HydrophobicContact CD1-CD2 3.97Å; Q21-L23 PolarHBondContact O-N 3.14Å; L23-L33 WeakPolarHBondContact O-CA 3.35Å; L23-T34 VanDerWaalsContact C-OG1 3.31Å; L23-T34 VanDerWaalsContact CA-OG1 3.29Å; L23-T34 WeakPolarHBondContact CA-OG1 3.49Å; L23-T34 PolarHBondContact O-N 3.32Å; L23-T34 PolarHBondContact O-OG1 3.21Å; L23-A36 HydrophobicContact CD2-CB 4.23Å; L23-G37 WeakPolarHBondContact O-CA 3.44Å; L23-L40 HydrophobicContact CD1-CD2 3.33Å; L23-L40 HydrophobicContact CD2-CB 4.06Å; L23-L40 HydrophobicContact CD2-CD2 3.73Å; L23-L40 HydrophobicContact CG-CD2 4.1Å
24F94.4Very high92.3Very high56 Ų5693.9 Ų93.925%0.24648%0.479CS..EExtended strand (participates in β ladder)trans-127136.3179.6-65.1-86.8000112.1I12 E16 R26 V31 T32 L33I12-F24 HydrophobicContact CD1-CE2 3.83Å; I12-F24 HydrophobicContact CD1-CZ 4.23Å; I12-F24 HydrophobicContact CG1-CE2 4.16Å; I12-F24 HydrophobicContact CG2-CD2 3.59Å; I12-F24 HydrophobicContact CG2-CE2 3.54Å; E16-F24 PolarHBondContact OE1-N 3.32Å; F24-R26 HydrophobicContact CB-CG 4.24Å; F24-V31 HydrophobicContact CB-CG1 4.1Å; F24-V31 HydrophobicContact CD1-CG1 3.45Å; F24-V31 VanDerWaalsContact CD1-CG1 3.45Å; F24-V31 HydrophobicContact CE1-CG1 4.18Å; F24-V31 HydrophobicContact CG-CG1 4.04Å; F24-T32 CarbonylContact C-O 3.53Å; F24-T32 VanDerWaalsContact CA-O 3.27Å; F24-T32 WeakPolarHBondContact CA-O 3.47Å; F24-L33 HydrophobicContact CD1-CD2 3.9Å; F24-L33 HydrophobicContact CE1-CD2 3.44Å; F24-L33 VanDerWaalsContact CE1-CD2 3.44Å; F24-L33 HydrophobicContact CE1-CG 4.3Å; F24-L33 HydrophobicContact CE2-CD2 4.49Å; F24-L33 HydrophobicContact CZ-CD2 3.78Å
25V91.7Very high92.3Very high81 Ų8193.4 Ų93.449%0.49149%0.485SS..EExtended strand (participates in β ladder)trans-86.9124158.7-174.20000107.2V31 T32 T34V25-V31 WeakPolarHBondContact O-CA 3.49Å; V25-T32 PolarHBondContact N-O 3.01Å; V25-T32 PolarHBondContact O-N 2.92Å; V25-T34 HydrophobicContact CG2-CG2 3.69Å
26R88Confident92.3Very high143 Ų14391.3 Ų91.354%0.5448%0.477SS..EExtended strand (participates in β ladder)trans-115.1118.5179.4-58.7-179.7-172.5137.412.9108.7E16 F24 V31E16-R26 IonicContact OE1-NH2 3.81Å; E16-R26 IonicContact OE2-NH2 3.27Å; E16-R26 PolarHBondContact OE2-NH2 3.01Å; F24-R26 HydrophobicContact CB-CG 4.24Å; R26-V31 HydrophobicContact CG-CG1 4.43Å; R26-V31 HydrophobicContact CG-CG2 4.38Å
27D82.5Confident92.3Very high109 Ų10990 Ų9058%0.58347%0.471SS*.  trans-109.7165.1161.5-174.217.2000108.6R29 T30D27-R29 PolarHBondContact O-N 3.48Å; D27-T30 PolarHBondContact N-O 3.29Å; D27-T30 PolarHBondContact O-N 3.46Å; D27-T30 VanDerWaalsContact O-O 3.1Å
28N79.6Confident92.2Very high167 Ų16787.3 Ų87.389%0.89346%0.458SS*.SBendtrans-57.6-12.7-178.5-79.4-23.3000114.3
29R83.1Confident92Very high230 Ų23088.2 Ų88.287%0.86846%0.459SS*.SBendtrans-118.9-24-178.3-66.4-178.1177.1174.3-0.2114.4D27D27-R29 PolarHBondContact O-N 3.48Å
30T86Confident92Very high83 Ų8385.7 Ų85.751%0.50945%0.446SS..  trans-143.3147.5-16954.40000111.4D27D27-T30 PolarHBondContact N-O 3.29Å; D27-T30 PolarHBondContact O-N 3.46Å; D27-T30 VanDerWaalsContact O-O 3.1Å
31V89Confident91.8Very high92 Ų9285.7 Ų85.756%0.55843%0.428SS*.EExtended strand (participates in β ladder)trans-122.3118.4172.2178.60000106.7F24 V25 R26F24-V31 HydrophobicContact CB-CG1 4.1Å; F24-V31 HydrophobicContact CD1-CG1 3.45Å; F24-V31 VanDerWaalsContact CD1-CG1 3.45Å; F24-V31 HydrophobicContact CE1-CG1 4.18Å; F24-V31 HydrophobicContact CG-CG1 4.04Å; V25-V31 WeakPolarHBondContact O-CA 3.49Å; R26-V31 HydrophobicContact CG-CG1 4.43Å; R26-V31 HydrophobicContact CG-CG2 4.38Å
32T93.1Very high91.3Very high75 Ų7582.1 Ų82.146%0.4641%0.413SS..EExtended strand (participates in β ladder)trans-123.7155.8178.359.40000109.8F24 V25F24-T32 CarbonylContact C-O 3.53Å; F24-T32 VanDerWaalsContact CA-O 3.27Å; F24-T32 WeakPolarHBondContact CA-O 3.47Å; V25-T32 PolarHBondContact N-O 3.01Å; V25-T32 PolarHBondContact O-N 2.92Å
33L94.2Very high91.1Very high62 Ų6284.9 Ų84.933%0.32542%0.418SS..EExtended strand (participates in β ladder)trans-71.3145.7174.8-68.7167.6000110.4L23 F24 E38 R41L23-L33 WeakPolarHBondContact O-CA 3.35Å; F24-L33 HydrophobicContact CD1-CD2 3.9Å; F24-L33 HydrophobicContact CE1-CD2 3.44Å; F24-L33 VanDerWaalsContact CE1-CD2 3.44Å; F24-L33 HydrophobicContact CE1-CG 4.3Å; F24-L33 HydrophobicContact CE2-CD2 4.49Å; F24-L33 HydrophobicContact CZ-CD2 3.78Å; L33-E38 WeakPolarHBondContact CD1-OE2 3.31Å; L33-R41 HydrophobicContact CD1-CB 4.26Å; L33-R41 HydrophobicContact CD1-CG 4.48Å
34T96.2Very high90.9Very high27 Ų2786.6 Ų86.617%0.16643%0.432CS..  trans-77.7174.7160.561.80000109.5P22 L23 V25 A36 G37 E38P22-T34 HydrophobicContact CB-CG2 4.47Å; P22-T34 HydrophobicContact CG-CG2 4.49Å; P22-T34 WeakPolarHBondContact O-CB 3.48Å; P22-T34 WeakPolarHBondContact O-CG2 3.31Å; P22-T34 PolarHBondContact O-OG1 2.95Å; L23-T34 VanDerWaalsContact C-OG1 3.31Å; L23-T34 VanDerWaalsContact CA-OG1 3.29Å; L23-T34 WeakPolarHBondContact CA-OG1 3.49Å; L23-T34 PolarHBondContact O-N 3.32Å; L23-T34 PolarHBondContact O-OG1 3.21Å; V25-T34 HydrophobicContact CG2-CG2 3.69Å; T34-A36 VanDerWaalsContact C-N 3.33Å; T34-A36 PolarHBondContact O-N 3.25Å; T34-G37 CarbonylContact O-C 3.43Å; T34-G37 WeakPolarHBondContact O-CA 3.5Å; T34-G37 PolarHBondContact O-N 2.9Å; T34-G37 VanDerWaalsContact O-N 3.08Å; T34-G37 PolarHBondContact OG1-N 3.29Å; T34-E38 PolarHBondContact O-N 3.47Å
35E95.5Very high90.3Very high163 Ų16386.5 Ų86.576%0.76243%0.433SS*.Hα-helixtrans-55.9-47170.6-174.6175.1-169.700111.7G37 E38 E39E35-G37 VanDerWaalsContact C-N 3.28Å; E35-G37 PolarHBondContact O-N 2.8Å; E35-E38 WeakPolarHBondContact O-CB 3.27Å; E35-E38 PolarHBondContact O-N 3.32Å; E35-E38 VanDerWaalsContact O-N 3.12Å; E35-E39 PolarHBondContact O-N 2.9Å
36A95.8Very high89.9Confident23 Ų2384.9 Ų84.919%0.1942%0.42CS..Hα-helixtrans-62.4-35173.900000112.5Q21 L23 T34 E38 L40Q21-A36 HydrophobicContact CB-CB 3.93Å; Q21-A36 HydrophobicContact CG-CB 4.4Å; L23-A36 HydrophobicContact CD2-CB 4.23Å; T34-A36 VanDerWaalsContact C-N 3.33Å; T34-A36 PolarHBondContact O-N 3.25Å; A36-E38 VanDerWaalsContact C-N 3.33Å; A36-L40 WeakPolarHBondContact O-CB 3.29Å; A36-L40 PolarHBondContact O-N 2.98Å
37G96.4Very high89.9Confident1 Ų180.7 Ų80.71%0.0141%0.41CS..Hα-helixtrans-61.4-40.417300000112.8L23 T34 E35 R41L23-G37 WeakPolarHBondContact O-CA 3.44Å; T34-G37 CarbonylContact O-C 3.43Å; T34-G37 WeakPolarHBondContact O-CA 3.5Å; T34-G37 PolarHBondContact O-N 2.9Å; T34-G37 VanDerWaalsContact O-N 3.08Å; T34-G37 PolarHBondContact OG1-N 3.29Å; E35-G37 VanDerWaalsContact C-N 3.28Å; E35-G37 PolarHBondContact O-N 2.8Å; G37-R41 WeakPolarHBondContact O-CB 3.33Å; G37-R41 PolarHBondContact O-N 3.33Å
38E93.6Very high90Very high69 Ų6980.7 Ų80.732%0.32241%0.41SS..Hα-helixtrans-71-42.8178.3-168.658.7-161.100111.8L33 T34 E35 A36 L40 R41 V42L33-E38 WeakPolarHBondContact CD1-OE2 3.31Å; T34-E38 PolarHBondContact O-N 3.47Å; E35-E38 WeakPolarHBondContact O-CB 3.27Å; E35-E38 PolarHBondContact O-N 3.32Å; E35-E38 VanDerWaalsContact O-N 3.12Å; A36-E38 VanDerWaalsContact C-N 3.33Å; E38-L40 VanDerWaalsContact C-N 3.35Å; E38-L40 PolarHBondContact O-N 2.65Å; E38-R41 VanDerWaalsContact CD-NE 3.31Å; E38-R41 WeakPolarHBondContact O-CB 3.44Å; E38-R41 PolarHBondContact O-N 3.21Å; E38-R41 IonicContact OE1-CZ 3.79Å; E38-R41 IonicContact OE1-NE 2.82Å; E38-R41 PolarHBondContact OE1-NE 3.21Å; E38-R41 IonicContact OE1-NH2 2.75Å; E38-R41 PolarHBondContact OE1-NH2 2.81Å; E38-R41 IonicContact OE2-NE 3.24Å; E38-R41 PolarHBondContact OE2-NE 2.66Å; E38-V42 WeakPolarHBondContact O-CG2 3.5Å; E38-V42 PolarHBondContact O-N 2.84Å; E38-V42 VanDerWaalsContact O-N 3.08Å
39E94Very high89.9Confident135 Ų13574.1 Ų74.163%0.63137%0.374SS*.Hα-helixtrans-58.7-46.2172.4-70.3-173.1171.300111.9E35 R41 V42 F43E35-E39 PolarHBondContact O-N 2.9Å; E39-R41 VanDerWaalsContact C-N 3.35Å; E39-R41 PolarHBondContact O-N 2.94Å; E39-V42 PolarHBondContact O-N 3.27Å; E39-F43 WeakPolarHBondContact O-CB 3.19Å; E39-F43 PolarHBondContact O-N 2.87Å
40L94.5Very high89.7Confident40 Ų4068.4 Ų68.421%0.20936%0.358CS..Hα-helixtrans-62.1-42.2175.917569.7000111.5L15 L19 L23 A36 E38 V42 F43 A44L15-L40 HydrophobicContact CD2-CD1 4.22Å; L15-L40 HydrophobicContact CD2-CD2 3.35Å; L15-L40 HydrophobicContact CD2-CG 4.38Å; L15-L40 HydrophobicContact CG-CD2 4.19Å; L19-L40 HydrophobicContact CD1-CD1 4.4Å; L19-L40 HydrophobicContact CD1-CD2 4.44Å; L23-L40 HydrophobicContact CD1-CD2 3.33Å; L23-L40 HydrophobicContact CD2-CB 4.06Å; L23-L40 HydrophobicContact CD2-CD2 3.73Å; L23-L40 HydrophobicContact CG-CD2 4.1Å; A36-L40 WeakPolarHBondContact O-CB 3.29Å; A36-L40 PolarHBondContact O-N 2.98Å; E38-L40 VanDerWaalsContact C-N 3.35Å; E38-L40 PolarHBondContact O-N 2.65Å; L40-V42 VanDerWaalsContact C-N 3.33Å; L40-V42 PolarHBondContact O-N 2.85Å; L40-F43 PolarHBondContact O-N 3.44Å; L40-A44 WeakPolarHBondContact O-CB 3.25Å; L40-A44 PolarHBondContact O-N 2.85Å
41R92Very high89.5Confident58 Ų5871 Ų7122%0.21936%0.359CS..Hα-helixtrans-56.8-49.4179.1-177.1-170.972.284.5-15.2110.4L33 G37 E38 E39 A44 Q45 E116L33-R41 HydrophobicContact CD1-CB 4.26Å; L33-R41 HydrophobicContact CD1-CG 4.48Å; G37-R41 WeakPolarHBondContact O-CB 3.33Å; G37-R41 PolarHBondContact O-N 3.33Å; E38-R41 VanDerWaalsContact CD-NE 3.31Å; E38-R41 WeakPolarHBondContact O-CB 3.44Å; E38-R41 PolarHBondContact O-N 3.21Å; E38-R41 IonicContact OE1-CZ 3.79Å; E38-R41 IonicContact OE1-NE 2.82Å; E38-R41 PolarHBondContact OE1-NE 3.21Å; E38-R41 IonicContact OE1-NH2 2.75Å; E38-R41 PolarHBondContact OE1-NH2 2.81Å; E38-R41 IonicContact OE2-NE 3.24Å; E38-R41 PolarHBondContact OE2-NE 2.66Å; E39-R41 VanDerWaalsContact C-N 3.35Å; E39-R41 PolarHBondContact O-N 2.94Å; R41-A44 PolarHBondContact O-N 3.32Å; R41-Q45 VanDerWaalsContact NH1-NE2 3.15Å; R41-Q45 WeakPolarHBondContact O-CB 3.33Å; R41-Q45 VanDerWaalsContact O-CG 3.27Å; R41-Q45 WeakPolarHBondContact O-CG 3.31Å; R41-Q45 PolarHBondContact O-N 2.84Å; R41-E116 IonicContact CZ-OE1 2.93Å; R41-E116 IonicContact NH1-OE1 2.65Å; R41-E116 PolarHBondContact NH1-OE1 2.88Å; R41-E116 IonicContact NH2-OE1 3.55Å; R41-E116 PolarHBondContact NH2-OE1 3.41Å
42V86.6Confident88.8Confident36 Ų3670.9 Ų70.922%0.21835%0.352CS..Hα-helixtrans-60.9-47.3177.2174.20000110.6E38 E39 L40 A44 Q45 Q46 T114E38-V42 WeakPolarHBondContact O-CG2 3.5Å; E38-V42 PolarHBondContact O-N 2.84Å; E38-V42 VanDerWaalsContact O-N 3.08Å; E39-V42 PolarHBondContact O-N 3.27Å; L40-V42 VanDerWaalsContact C-N 3.33Å; L40-V42 PolarHBondContact O-N 2.85Å; V42-A44 PolarHBondContact O-N 2.92Å; V42-Q45 PolarHBondContact O-N 3.34Å; V42-Q46 VanDerWaalsContact O-CG 3.3Å; V42-Q46 WeakPolarHBondContact O-CG 2.95Å; V42-Q46 PolarHBondContact O-N 3.05Å; V42-T114 HydrophobicContact CG2-CG2 3.99Å
43F91.4Very high87.8Confident131 Ų13169.7 Ų69.758%0.57534%0.342SS*.Hα-helixtrans-61.5-45.7178.6176.2-97.6000113.1E39 L40 Q46 T47E39-F43 WeakPolarHBondContact O-CB 3.19Å; E39-F43 PolarHBondContact O-N 2.87Å; L40-F43 PolarHBondContact O-N 3.44Å; F43-Q46 PolarHBondContact O-N 3.38Å; F43-T47 WeakPolarHBondContact O-CB 3.31Å; F43-T47 PolarHBondContact O-N 3.36Å; F43-T47 PolarHBondContact O-OG1 3.49Å
44A91.4Very high86.9Confident37 Ų3771.3 Ų71.331%0.30635%0.35SS..Hα-helixtrans-66.2-42.1-178.700000111.5L40 R41 V42 T47 L48L40-A44 WeakPolarHBondContact O-CB 3.25Å; L40-A44 PolarHBondContact O-N 2.85Å; R41-A44 PolarHBondContact O-N 3.32Å; V42-A44 PolarHBondContact O-N 2.92Å; A44-T47 PolarHBondContact O-N 3.49Å; A44-L48 WeakPolarHBondContact O-CB 3.31Å; A44-L48 VanDerWaalsContact O-CG 3.31Å; A44-L48 WeakPolarHBondContact O-CG 3.43Å; A44-L48 PolarHBondContact O-N 3.27Å
45Q82.5Confident85.9Confident55 Ų5576.6 Ų76.626%0.25737%0.367SS..Hα-helixtrans-59.2-49.9174-76.5173-28.600111.2R41 V42 T47 L48 L49R41-Q45 VanDerWaalsContact NH1-NE2 3.15Å; R41-Q45 WeakPolarHBondContact O-CB 3.33Å; R41-Q45 VanDerWaalsContact O-CG 3.27Å; R41-Q45 WeakPolarHBondContact O-CG 3.31Å; R41-Q45 PolarHBondContact O-N 2.84Å; V42-Q45 PolarHBondContact O-N 3.34Å; Q45-T47 VanDerWaalsContact C-N 3.31Å; Q45-T47 PolarHBondContact O-N 3.05Å; Q45-L48 PolarHBondContact O-N 2.98Å; Q45-L49 WeakPolarHBondContact O-CD1 3.35Å; Q45-L49 VanDerWaalsContact O-CG 3.31Å; Q45-L49 WeakPolarHBondContact O-CG 3.42Å; Q45-L49 PolarHBondContact O-N 2.91Å
46Q83Confident84.5Confident46 Ų4671.6 Ų71.622%0.21534%0.343CS..Hα-helixtrans-60-40.7177.5-69.8179.112.100112.3V42 F43 L49 Q50 T114V42-Q46 VanDerWaalsContact O-CG 3.3Å; V42-Q46 WeakPolarHBondContact O-CG 2.95Å; V42-Q46 PolarHBondContact O-N 3.05Å; F43-Q46 PolarHBondContact O-N 3.38Å; Q46-L49 PolarHBondContact O-N 3.37Å; Q46-Q50 VanDerWaalsContact O-CG 3.31Å; Q46-Q50 WeakPolarHBondContact O-CG 3.5Å; Q46-Q50 PolarHBondContact O-N 2.92Å; Q46-T114 WeakPolarHBondContact CG-O 3.4Å; Q46-T114 PolarHBondContact NE2-O 3.43Å
47T88.7Confident83.1Confident56 Ų5674.5 Ų74.534%0.34436%0.359SS..Hα-helixtrans-66.6-42.6178.8-57.90000112.1F43 A44 Q45 Q50 Y51F43-T47 WeakPolarHBondContact O-CB 3.31Å; F43-T47 PolarHBondContact O-N 3.36Å; F43-T47 PolarHBondContact O-OG1 3.49Å; A44-T47 PolarHBondContact O-N 3.49Å; Q45-T47 VanDerWaalsContact C-N 3.31Å; Q45-T47 PolarHBondContact O-N 3.05Å; T47-Q50 PolarHBondContact O-N 3.07Å; T47-Y51 PolarHBondContact O-N 3.39Å
48L83.5Confident82.1Confident109 Ų10979.6 Ų79.657%0.57139%0.385SS*.Hα-helixtrans-63.7-42.2177.7-75.1170.6000111.6A44 Q45 Y51 Q52A44-L48 WeakPolarHBondContact O-CB 3.31Å; A44-L48 VanDerWaalsContact O-CG 3.31Å; A44-L48 WeakPolarHBondContact O-CG 3.43Å; A44-L48 PolarHBondContact O-N 3.27Å; Q45-L48 PolarHBondContact O-N 2.98Å; L48-Y51 PolarHBondContact O-N 3.31Å; L48-Q52 WeakPolarHBondContact O-CG 3.27Å; L48-Q52 PolarHBondContact O-N 2.99Å
49L77.1Confident80.9Confident28 Ų2881.6 Ų81.615%0.14740%0.398CS..Hα-helixtrans-61.6-46.4175.5-70.2161.5000111.6Q45 Q46 Y51 Q52 Q53 G115Q45-L49 WeakPolarHBondContact O-CD1 3.35Å; Q45-L49 VanDerWaalsContact O-CG 3.31Å; Q45-L49 WeakPolarHBondContact O-CG 3.42Å; Q45-L49 PolarHBondContact O-N 2.91Å; Q46-L49 PolarHBondContact O-N 3.37Å; L49-Y51 VanDerWaalsContact C-N 3.29Å; L49-Y51 PolarHBondContact O-N 3.33Å; L49-Q52 PolarHBondContact O-N 3.45Å; L49-Q53 WeakPolarHBondContact O-CB 3.4Å; L49-Q53 PolarHBondContact O-N 3.49Å; L49-G115 WeakPolarHBondContact CD1-O 3.11Å
50Q79Confident79.3Confident111 Ų11177.5 Ų77.552%0.51938%0.378SS..Hα-helixtrans-59.1-40.5175.8-74.6175.8-10.800112.1Q46 T47 Q53 L54Q46-Q50 VanDerWaalsContact O-CG 3.31Å; Q46-Q50 WeakPolarHBondContact O-CG 3.5Å; Q46-Q50 PolarHBondContact O-N 2.92Å; T47-Q50 PolarHBondContact O-N 3.07Å; Q50-Q53 PolarHBondContact O-N 3.5Å; Q50-L54 WeakPolarHBondContact O-CB 3.22Å; Q50-L54 PolarHBondContact O-N 2.81Å
51Y82.3Confident77.5Confident138 Ų13884.8 Ų84.854%0.54141%0.411SS..Hα-helixtrans-68.2-41.9177-178.9-107.7000112.6T47 L48 L49 Q53 L54 R55T47-Y51 PolarHBondContact O-N 3.39Å; L48-Y51 PolarHBondContact O-N 3.31Å; L49-Y51 VanDerWaalsContact C-N 3.29Å; L49-Y51 PolarHBondContact O-N 3.33Å; Y51-Q53 VanDerWaalsContact C-N 3.32Å; Y51-Q53 PolarHBondContact O-N 2.76Å; Y51-L54 PolarHBondContact O-N 3.25Å; Y51-R55 HydrophobicContact CE1-CG 4.25Å; Y51-R55 WeakPolarHBondContact O-CG 3.21Å; Y51-R55 PolarHBondContact O-N 2.97Å
52Q74.9Confident75.9Confident89 Ų8984 Ų8442%0.41642%0.421SS..Hα-helixtrans-60.7-42.1173.6-74.3171.6-35.200111.3L48 L49 R55 H56L48-Q52 WeakPolarHBondContact O-CG 3.27Å; L48-Q52 PolarHBondContact O-N 2.99Å; L49-Q52 PolarHBondContact O-N 3.45Å; Q52-R55 WeakPolarHBondContact O-CB 3.45Å; Q52-R55 PolarHBondContact O-N 2.89Å; Q52-H56 PolarHBondContact O-N 3.48Å
53Q70.4Confident75Confident50 Ų5089.3 Ų89.323%0.23446%0.457CS..Hα-helixtrans-66.5-39.5176.9-167.4-166.9-11.900112.6L49 Q50 Y51 R55 H56 T57 E259L49-Q53 WeakPolarHBondContact O-CB 3.4Å; L49-Q53 PolarHBondContact O-N 3.49Å; Q50-Q53 PolarHBondContact O-N 3.5Å; Y51-Q53 VanDerWaalsContact C-N 3.32Å; Y51-Q53 PolarHBondContact O-N 2.76Å; Q53-R55 VanDerWaalsContact C-N 3.34Å; Q53-H56 PolarHBondContact O-N 2.94Å; Q53-T57 WeakPolarHBondContact O-CB 3.36Å; Q53-T57 PolarHBondContact O-N 3.02Å; Q53-T57 PolarHBondContact O-OG1 2.82Å; Q53-E259 PolarHBondContact OE1-OE1 3.15Å; Q53-E259 PolarHBondContact OE1-OE2 3.39Å
54L77Confident74.4Confident95 Ų9586.1 Ų86.150%0.49745%0.45SS..Hα-helixtrans-60.1-46173.3175.363.1000110.7Q50 Y51 H56 T57 I58Q50-L54 WeakPolarHBondContact O-CB 3.22Å; Q50-L54 PolarHBondContact O-N 2.81Å; Y51-L54 PolarHBondContact O-N 3.25Å; L54-H56 VanDerWaalsContact C-N 3.34Å; L54-H56 PolarHBondContact O-N 3.46Å; L54-T57 PolarHBondContact O-N 2.92Å; L54-I58 HydrophobicContact CD1-CD1 4.05Å; L54-I58 HydrophobicContact CD1-CG1 4.41Å; L54-I58 HydrophobicContact CG-CD1 4.01Å; L54-I58 VanDerWaalsContact O-CG1 3.31Å; L54-I58 WeakPolarHBondContact O-CG1 3.43Å; L54-I58 PolarHBondContact O-N 2.92Å
55R74.5Confident74.2Confident139 Ų13986 Ų8653%0.52545%0.445SS..Hα-helixtrans-58.9-45.5175.2-73.4-174.262.2-167.2-4.8111.5Y51 Q52 Q53 T57 I58 D59Y51-R55 HydrophobicContact CE1-CG 4.25Å; Y51-R55 WeakPolarHBondContact O-CG 3.21Å; Y51-R55 PolarHBondContact O-N 2.97Å; Q52-R55 WeakPolarHBondContact O-CB 3.45Å; Q52-R55 PolarHBondContact O-N 2.89Å; Q53-R55 VanDerWaalsContact C-N 3.34Å; R55-T57 PolarHBondContact O-N 3.22Å; R55-I58 PolarHBondContact O-N 3.12Å; R55-D59 WeakPolarHBondContact O-CB 3.33Å; R55-D59 VanDerWaalsContact O-CG 3.3Å; R55-D59 PolarHBondContact O-N 3.36Å
56H65.6Low74.5Confident58 Ų5885.3 Ų85.327%0.26945%0.446SS..Hα-helixtrans-60.6-44.9175.4-93.2-50000113Q52 Q53 L54 I58 D59 Q60 G67Q52-H56 PolarHBondContact O-N 3.48Å; Q53-H56 PolarHBondContact O-N 2.94Å; L54-H56 VanDerWaalsContact C-N 3.34Å; L54-H56 PolarHBondContact O-N 3.46Å; H56-I58 PolarHBondContact O-N 3.08Å; H56-D59 PolarHBondContact O-N 2.99Å; H56-D59 VanDerWaalsContact O-N 3.14Å; H56-Q60 VanDerWaalsContact O-CB 3.25Å; H56-Q60 WeakPolarHBondContact O-CB 3.45Å; H56-Q60 WeakPolarHBondContact O-CG 3.41Å; H56-Q60 PolarHBondContact O-N 3.46Å; H56-G67 WeakPolarHBondContact CE1-CA 3.41Å; H56-G67 WeakPolarHBondContact NE2-CA 3.43Å
57T67.2Low74.8Confident84 Ų8483.5 Ų83.552%0.51544%0.439SS..Hα-helixtrans-59.1-37.7177-54.90000111.6Q53 L54 R55Q53-T57 WeakPolarHBondContact O-CB 3.36Å; Q53-T57 PolarHBondContact O-N 3.02Å; Q53-T57 PolarHBondContact O-OG1 2.82Å; L54-T57 PolarHBondContact O-N 2.92Å; R55-T57 PolarHBondContact O-N 3.22Å
58I75.8Confident75.1Confident107 Ų10784 Ų8455%0.54944%0.438SS..Hα-helixtrans-69.6-41.3176-67166000111.1L54 R55 H56L54-I58 HydrophobicContact CD1-CD1 4.05Å; L54-I58 HydrophobicContact CD1-CG1 4.41Å; L54-I58 HydrophobicContact CG-CD1 4.01Å; L54-I58 VanDerWaalsContact O-CG1 3.31Å; L54-I58 WeakPolarHBondContact O-CG1 3.43Å; L54-I58 PolarHBondContact O-N 2.92Å; R55-I58 PolarHBondContact O-N 3.12Å; H56-I58 PolarHBondContact O-N 3.08Å
59D68.2Low75.7Confident111 Ų11178.8 Ų78.859%0.59441%0.411SS*.Hα-helixtrans-77.8-22.4-177.1-67.8-21.5000113.2R55 H56 Q61R55-D59 WeakPolarHBondContact O-CB 3.33Å; R55-D59 VanDerWaalsContact O-CG 3.3Å; R55-D59 PolarHBondContact O-N 3.36Å; H56-D59 PolarHBondContact O-N 2.99Å; H56-D59 VanDerWaalsContact O-N 3.14Å; D59-Q61 PolarHBondContact O-N 3.24Å
60Q59.9Low76.7Confident49 Ų4979.7 Ų79.723%0.22941%0.414CS..  trans-73.226.6-177.3-83.6-179.514.100115.2H56 G62 S66H56-Q60 VanDerWaalsContact O-CB 3.25Å; H56-Q60 WeakPolarHBondContact O-CB 3.45Å; H56-Q60 WeakPolarHBondContact O-CG 3.41Å; H56-Q60 PolarHBondContact O-N 3.46Å; Q60-G62 PolarHBondContact O-N 3.28Å; Q60-S66 PolarHBondContact NE2-O 2.82Å
61Q55.8Low77.6Confident193 Ų19374.6 Ų74.690%0.90239%0.39SS*.  trans-69.613.7169.2-66.8-167.8-10.700113.9D59D59-Q61 PolarHBondContact O-N 3.24Å
62G58.9Low78.4Confident41 Ų4168.3 Ų68.342%0.42337%0.366SS..SBendtrans-100.6160.4171.200000113Q60 S64Q60-G62 PolarHBondContact O-N 3.28Å; G62-S64 VanDerWaalsContact C-N 3.28Å; G62-S64 PolarHBondContact O-N 3.22Å
63P67Low79.5Confident149 Ų14964.1 Ų64.197%0.96835%0.346SS*.SBendtrans-73.1-8.1-170.728.2-35.2000115.7
64S79.1Confident80.8Confident63 Ų6362.4 Ų62.444%0.44134%0.339SS..SBendtrans-117.2134-174.961.70000112.3G62 S66G62-S64 VanDerWaalsContact C-N 3.28Å; G62-S64 PolarHBondContact O-N 3.22Å; S64-S66 PolarHBondContact O-N 2.86Å
65L86.8Confident81.7Confident36 Ų3660.2 Ų60.219%0.18833%0.33CS..  trans-57.6125171.1-175.965.7000110.5V96 P260 L261 A264L65-V96 HydrophobicContact CG-CG2 4.24Å; L65-P260 HydrophobicContact CD1-CB 3.64Å; L65-L261 HydrophobicContact CD1-CD2 3.85Å; L65-L261 HydrophobicContact CD1-CG 4.27Å; L65-L261 HydrophobicContact CD2-CD2 3.93Å; L65-L261 HydrophobicContact CG-CD2 3.66Å; L65-A264 HydrophobicContact CD2-CB 3.57Å
66S89.1Confident82.8Confident39 Ų3953.9 Ų53.927%0.27331%0.307SS..  trans-144.7149-178.563.10000111.5Q60 S64 S95Q60-S66 PolarHBondContact NE2-O 2.82Å; S64-S66 PolarHBondContact O-N 2.86Å; S66-S95 WeakPolarHBondContact CA-O 3.21Å
67G89.2Confident84.3Confident8 Ų851.3 Ų51.38%0.08230%0.295CS..EExtended strand (participates in β ladder)trans149-170.917600000112H56 V96 E97H56-G67 WeakPolarHBondContact CE1-CA 3.41Å; H56-G67 WeakPolarHBondContact NE2-CA 3.43Å; G67-V96 CarbonylContact O-C 3.58Å; G67-V96 WeakPolarHBondContact O-CA 3.32Å; G67-E97 PolarHBondContact O-N 2.84Å
68E95.2Very high85.8Confident67 Ų6748.2 Ų48.231%0.31328%0.278SS..EExtended strand (participates in β ladder)trans-96.7130.1177.7-60.9-174.6154.300110.3H70 E97 K99 L261E68-H70 IonicContact OE2-NE2 3.07Å; E68-E97 CarbonylContact C-O 3.6Å; E68-E97 WeakPolarHBondContact CA-O 3.34Å; E68-E97 HydrophobicContact CG-CB 4.39Å; E68-K99 HydrophobicContact CB-CG 4.3Å; E68-K99 WeakPolarHBondContact OE1-CE 3.47Å; E68-K99 IonicContact OE1-NZ 3.21Å; E68-K99 PolarHBondContact OE1-NZ 2.94Å; E68-L261 WeakPolarHBondContact O-CD1 3.43Å
69L96.5Very high86.7Confident0 Ų050.3 Ų50.30%028%0.281CS..EExtended strand (participates in β ladder)trans-115.9115172.7-174.672.6000109.8I71 F89 V96 E97 K99 D118 L119 L261 I262 F265L69-I71 HydrophobicContact CD2-CD1 4.11Å; L69-I71 HydrophobicContact CD2-CG1 4.31Å; L69-I71 HydrophobicContact CG-CG1 4.28Å; L69-F89 HydrophobicContact CD2-CE1 3.93Å; L69-F89 HydrophobicContact CD2-CE2 4.47Å; L69-F89 HydrophobicContact CD2-CZ 3.8Å; L69-V96 HydrophobicContact CB-CG1 3.91Å; L69-E97 PolarHBondContact N-O 3.06Å; L69-K99 PolarHBondContact O-N 3.16Å; L69-D118 HydrophobicContact CD1-CB 4.06Å; L69-L119 HydrophobicContact CD1-CD1 3.81Å; L69-L119 HydrophobicContact CD2-CD1 3.91Å; L69-L119 HydrophobicContact CG-CD1 4.14Å; L69-L261 HydrophobicContact CD1-CB 3.9Å; L69-I262 HydrophobicContact CD1-CG1 4.21Å; L69-F265 HydrophobicContact CD2-CB 4.05Å; L69-F265 HydrophobicContact CD2-CD2 3.55Å; L69-F265 HydrophobicContact CD2-CE2 4.28Å; L69-F265 HydrophobicContact CD2-CG 4.06Å
70H98.2Very high88Confident47 Ų4746.7 Ų46.722%0.21826%0.264CS..EExtended strand (participates in β ladder)trans-90116.7-177.3-69.4-116.2000111E68 K99 D118 L119E68-H70 IonicContact OE2-NE2 3.07Å; H70-K99 WeakPolarHBondContact CA-O 3.5Å; H70-D118 WeakPolarHBondContact CB-OD2 3.49Å; H70-D118 IonicContact CD2-OD2 2.94Å; H70-D118 PolarHBondContact N-OD2 2.95Å; H70-D118 WeakPolarHBondContact O-CB 3.24Å; H70-D118 PolarHBondContact O-N 3Å; H70-L119 PolarHBondContact O-N 3.18Å
71I98.5Very high89.6Confident3 Ų345.2 Ų45.22%0.01526%0.257CS..EExtended strand (participates in β ladder)trans-118.5133.3-178.9-55.7178.1000109.2L69 L82 L86 I98 K99 L100 T101 L119 F265L69-I71 HydrophobicContact CD2-CD1 4.11Å; L69-I71 HydrophobicContact CD2-CG1 4.31Å; L69-I71 HydrophobicContact CG-CG1 4.28Å; I71-L82 HydrophobicContact CG2-CD1 4.3Å; I71-L86 HydrophobicContact CD1-CD2 3.96Å; I71-I98 HydrophobicContact CD1-CG2 3.9Å; I71-I98 HydrophobicContact CG1-CG2 4.47Å; I71-K99 PolarHBondContact N-O 2.87Å; I71-L100 HydrophobicContact CB-CD1 4.26Å; I71-L100 HydrophobicContact CG2-CD1 4.16Å; I71-L100 WeakPolarHBondContact O-CA 3.32Å; I71-T101 PolarHBondContact O-N 3.21Å; I71-L119 WeakPolarHBondContact CA-O 3.47Å; I71-F265 HydrophobicContact CD1-CD2 4.24Å; I71-F265 HydrophobicContact CD1-CE2 3.51Å; I71-F265 HydrophobicContact CD1-CZ 3.91Å
72F98.7Very high91.5Very high7 Ų736.2 Ų36.23%0.03122%0.215CC..EExtended strand (participates in β ladder)trans-112.2139.1170.2-177.2-83.7000111.9T101 D104 D107 A108 K111 A117 L119 A120 I121F72-T101 WeakPolarHBondContact CA-O 3.45Å; F72-T101 HydrophobicContact CD2-CG2 3.93Å; F72-T101 HydrophobicContact CE2-CG2 4.23Å; F72-D104 WeakPolarHBondContact CE1-O 3.47Å; F72-D104 WeakPolarHBondContact CZ-O 3.42Å; F72-D107 HydrophobicContact CE1-CB 4.36Å; F72-D107 HydrophobicContact CZ-CB 4.04Å; F72-A108 VanDerWaalsContact CD1-CA 3.43Å; F72-A108 HydrophobicContact CD1-CB 3.67Å; F72-A108 VanDerWaalsContact CE1-CA 3.46Å; F72-A108 HydrophobicContact CE1-CB 3.72Å; F72-K111 HydrophobicContact CB-CB 4.28Å; F72-K111 HydrophobicContact CB-CG 4.49Å; F72-K111 HydrophobicContact CD1-CG 4.28Å; F72-K111 HydrophobicContact CD2-CB 4.48Å; F72-K111 HydrophobicContact CD2-CG 3.81Å; F72-K111 HydrophobicContact CE1-CG 4.47Å; F72-K111 HydrophobicContact CE2-CG 4.01Å; F72-K111 HydrophobicContact CG-CB 4.21Å; F72-K111 HydrophobicContact CG-CG 3.93Å; F72-K111 HydrophobicContact CZ-CG 4.33Å; F72-A117 HydrophobicContact CB-CB 3.75Å; F72-L119 PolarHBondContact N-O 2.91Å; F72-A120 HydrophobicContact CB-CB 4.06Å; F72-A120 HydrophobicContact CD1-CB 4.39Å; F72-A120 CarbonylContact O-C 3.52Å; F72-A120 WeakPolarHBondContact O-CA 3.36Å; F72-A120 VanDerWaalsContact O-CB 3.3Å; F72-A120 WeakPolarHBondContact O-CB 3.41Å; F72-I121 PolarHBondContact O-N 2.99Å
73C98.2Very high93.1Very high0 Ų036.8 Ų36.80%021%0.211CC..EExtended strand (participates in β ladder)trans-155.7173.5166.9650000111.9A77 T101 T102 G103 I121C73-A77 HydrophobicContact CB-CB 3.92Å; C73-T101 PolarHBondContact N-O 2.88Å; C73-T101 VanDerWaalsContact N-O 3.16Å; C73-T102 WeakPolarHBondContact O-CA 3.17Å; C73-G103 PolarHBondContact O-N 2.86Å; C73-G103 VanDerWaalsContact O-N 3.12Å; C73-I121 HydrophobicContact CB-CB 3.82Å; C73-I121 HydrophobicContact CB-CD1 4.26Å; C73-I121 HydrophobicContact CB-CG1 4.24Å
74S97.5Very high94.2Very high14 Ų1433.8 Ų33.810%0.09819%0.191CC..EExtended strand (participates in β ladder)trans-73.4160.8167.3660000111.4T76 A77 A78 G103S74-T76 VanDerWaalsContact C-N 3.27Å; S74-T76 PolarHBondContact O-N 2.8Å; S74-A77 PolarHBondContact O-N 2.72Å; S74-A77 VanDerWaalsContact O-N 3.14Å; S74-A77 WeakPolarHBondContact OG-CB 3.21Å; S74-A77 PolarHBondContact OG-N 3.24Å; S74-A77 VanDerWaalsContact OG-N 3.13Å; S74-A78 PolarHBondContact O-N 2.82Å; S74-G103 WeakPolarHBondContact CA-O 3.46Å
75V96.3Very high94.9Very high50 Ų5031.6 Ų31.630%0.30318%0.175SC..Hα-helixtrans-57.2-43.9173.5174.20000110.6A77 A78 Y79 E203V75-A77 PolarHBondContact O-N 2.79Å; V75-A78 WeakPolarHBondContact O-CB 3.48Å; V75-A78 PolarHBondContact O-N 3.24Å; V75-Y79 HydrophobicContact CG1-CD2 4.09Å; V75-Y79 HydrophobicContact CG1-CE2 3.47Å; V75-Y79 VanDerWaalsContact CG1-CE2 3.47Å; V75-Y79 WeakPolarHBondContact O-CD2 3.21Å; V75-Y79 PolarHBondContact O-N 2.97Å; V75-E203 WeakPolarHBondContact CB-OE1 3.46Å
76T97.1Very high95.2Very high6 Ų631.1 Ų31.14%0.03717%0.172CC..Hα-helixtrans-53.2-52.7172.5-610000111.9S74 A78 Y79 S80 E203 V221 V222S74-T76 VanDerWaalsContact C-N 3.27Å; S74-T76 PolarHBondContact O-N 2.8Å; T76-A78 VanDerWaalsContact C-N 3.28Å; T76-A78 PolarHBondContact O-N 3.28Å; T76-Y79 PolarHBondContact O-N 3.5Å; T76-S80 PolarHBondContact O-N 2.67Å; T76-S80 PolarHBondContact O-OG 2.75Å; T76-E203 PolarHBondContact N-OE1 3.5Å; T76-E203 PolarHBondContact OG1-OE1 2.85Å; T76-V221 HydrophobicContact CG2-CB 4.5Å; T76-V221 HydrophobicContact CG2-CG1 3.92Å; T76-V221 HydrophobicContact CG2-CG2 4.13Å; T76-V222 HydrophobicContact CG2-CB 4.48Å; T76-V222 HydrophobicContact CG2-CG2 4.04Å
77A97.5Very high95.1Very high3 Ų334.3 Ų34.33%0.02519%0.186CC..Hα-helixtrans-65.3-29.9-179.100000113.2C73 S74 V75 Y79 H81 L82 I121C73-A77 HydrophobicContact CB-CB 3.92Å; S74-A77 PolarHBondContact O-N 2.72Å; S74-A77 VanDerWaalsContact O-N 3.14Å; S74-A77 WeakPolarHBondContact OG-CB 3.21Å; S74-A77 PolarHBondContact OG-N 3.24Å; S74-A77 VanDerWaalsContact OG-N 3.13Å; V75-A77 PolarHBondContact O-N 2.79Å; A77-Y79 PolarHBondContact O-N 3.13Å; A77-H81 PolarHBondContact O-N 2.98Å; A77-L82 WeakPolarHBondContact O-CB 3.3Å; A77-L82 PolarHBondContact O-N 3.23Å; A77-I121 HydrophobicContact CB-CB 4.26Å; A77-I121 HydrophobicContact CB-CD1 4.44Å; A77-I121 HydrophobicContact CB-CG2 3.92Å
78A97.3Very high94.9Very high19 Ų1937.6 Ų37.616%0.15720%0.196CC..Hα-helixtrans-63.4-31.217300000112.4S74 V75 T76 L82 P83 T102S74-A78 PolarHBondContact O-N 2.82Å; V75-A78 WeakPolarHBondContact O-CB 3.48Å; V75-A78 PolarHBondContact O-N 3.24Å; T76-A78 VanDerWaalsContact C-N 3.28Å; T76-A78 PolarHBondContact O-N 3.28Å; A78-L82 HydrophobicContact CB-CD2 4.47Å; A78-P83 WeakPolarHBondContact O-CD 3.49Å; A78-T102 HydrophobicContact CB-CG2 4.15Å
79Y95Very high94.9Very high152 Ų15234.4 Ų34.460%0.59618%0.181SC*.Hα-helixtrans-86.2-43.4175.1-62.8-41000113.1V75 T76 A77 P83V75-Y79 HydrophobicContact CG1-CD2 4.09Å; V75-Y79 HydrophobicContact CG1-CE2 3.47Å; V75-Y79 VanDerWaalsContact CG1-CE2 3.47Å; V75-Y79 WeakPolarHBondContact O-CD2 3.21Å; V75-Y79 PolarHBondContact O-N 2.97Å; T76-Y79 PolarHBondContact O-N 3.5Å; A77-Y79 PolarHBondContact O-N 3.13Å; Y79-P83 WeakPolarHBondContact O-CG 3.12Å
80S95.2Very high94.5Very high34 Ų3441.7 Ų41.724%0.23821%0.209CC..Hα-helixtrans-91.2-34.7-168.154.50000114.9T76T76-S80 PolarHBondContact O-N 2.67Å; T76-S80 PolarHBondContact O-OG 2.75Å
81H95.5Very high93.9Very high18 Ų1843.4 Ų43.48%0.08323%0.231CC..THydrogen-bonded Turntrans-120.7-33.7-168.2-63.291.3000113.9A77 P84 I85 I121 E138 L248A77-H81 PolarHBondContact O-N 2.98Å; H81-P84 WeakPolarHBondContact O-CD 3.49Å; H81-P84 WeakPolarHBondContact O-CG 3.47Å; H81-I85 WeakPolarHBondContact O-CD1 3.39Å; H81-I85 WeakPolarHBondContact O-CG1 3.3Å; H81-I121 HydrophobicContact CB-CD1 4.25Å; H81-E138 IonicContact CD2-OE2 2.98Å; H81-E138 IonicContact CE1-OE2 2.76Å; H81-E138 IonicContact NE2-OE2 3.61Å; H81-E138 PolarHBondContact NE2-OE2 3.44Å; H81-L248 HydrophobicContact CB-CD2 4.36Å; H81-L248 VanDerWaalsContact CE1-CD2 3.4Å; H81-L248 WeakPolarHBondContact CE1-CD2 3.47Å; H81-L248 WeakPolarHBondContact ND1-CD2 2.92Å
82L95.7Very high93.4Very high5 Ų547.7 Ų47.73%0.02625%0.251CS..Hα-helixtrans-67.5-40.8-177-170.863.9000114I71 A77 A78 I85 L86 L100 I121I71-L82 HydrophobicContact CG2-CD1 4.3Å; A77-L82 WeakPolarHBondContact O-CB 3.3Å; A77-L82 PolarHBondContact O-N 3.23Å; A78-L82 HydrophobicContact CB-CD2 4.47Å; L82-I85 PolarHBondContact O-N 2.71Å; L82-L86 HydrophobicContact CD1-CD1 3.89Å; L82-L86 HydrophobicContact CD1-CD2 3.97Å; L82-L86 HydrophobicContact CD1-CG 3.68Å; L82-L86 HydrophobicContact CD2-CD1 3.86Å; L82-L86 HydrophobicContact CG-CD1 3.61Å; L82-L86 HydrophobicContact CG-CG 3.74Å; L82-L86 PolarHBondContact O-N 2.64Å; L82-L100 HydrophobicContact CD2-CD1 3.56Å; L82-L100 HydrophobicContact CD2-CD2 3.53Å; L82-L100 HydrophobicContact CD2-CG 4.18Å; L82-I121 HydrophobicContact CB-CD1 3.96Å; L82-I121 HydrophobicContact CD1-CD1 3.92Å
83P92.4Very high93Very high53 Ų5349.2 Ų49.234%0.34426%0.258SS..Hα-helixtrans-55.6-52.1-174.8-2635.9000114.9A78 Y79 I85 L86 D87A78-P83 WeakPolarHBondContact O-CD 3.49Å; Y79-P83 WeakPolarHBondContact O-CG 3.12Å; P83-I85 VanDerWaalsContact C-N 3.25Å; P83-I85 PolarHBondContact O-N 3.08Å; P83-L86 PolarHBondContact O-N 3.45Å; P83-D87 PolarHBondContact O-N 3.41Å
84P88.6Confident92.5Very high85 Ų8554.3 Ų54.355%0.55229%0.291SS*.Hα-helixtrans-64.8-28.6-179.725.7-35.1000113.3H81H81-P84 WeakPolarHBondContact O-CD 3.49Å; H81-P84 WeakPolarHBondContact O-CG 3.47Å
85I94Very high92.1Very high18 Ų1856.7 Ų56.79%0.09231%0.308CS..Hα-helixtrans-70.2-47.2175.6-58.8171.8000109.7H81 L82 P83 R88 F89 L137 V250 F265 I268 L269H81-I85 WeakPolarHBondContact O-CD1 3.39Å; H81-I85 WeakPolarHBondContact O-CG1 3.3Å; L82-I85 PolarHBondContact O-N 2.71Å; P83-I85 VanDerWaalsContact C-N 3.25Å; P83-I85 PolarHBondContact O-N 3.08Å; I85-R88 PolarHBondContact O-N 3.07Å; I85-F89 PolarHBondContact O-N 3.31Å; I85-L137 HydrophobicContact CD1-CD1 3.89Å; I85-L137 HydrophobicContact CD1-CD2 4.09Å; I85-V250 HydrophobicContact CD1-CG2 4.35Å; I85-F265 HydrophobicContact CG2-CE1 3.81Å; I85-F265 HydrophobicContact CG2-CE2 3.96Å; I85-F265 HydrophobicContact CG2-CZ 3.36Å; I85-I268 HydrophobicContact CG2-CD1 3.86Å; I85-I268 VanDerWaalsContact O-CD1 3.28Å; I85-I268 WeakPolarHBondContact O-CD1 3.24Å; I85-L269 HydrophobicContact CD1-CD2 4.26Å; I85-L269 HydrophobicContact CG2-CD2 4.06Å
86L93Very high92Very high25 Ų2555 Ų5513%0.13130%0.297CS..Hα-helixtrans-71.9-32.7-178.3-66.5-167.7000113.6I71 L82 P83 R88 F89 R90 I98 F265I71-L86 HydrophobicContact CD1-CD2 3.96Å; L82-L86 HydrophobicContact CD1-CD1 3.89Å; L82-L86 HydrophobicContact CD1-CD2 3.97Å; L82-L86 HydrophobicContact CD1-CG 3.68Å; L82-L86 HydrophobicContact CD2-CD1 3.86Å; L82-L86 HydrophobicContact CG-CD1 3.61Å; L82-L86 HydrophobicContact CG-CG 3.74Å; L82-L86 PolarHBondContact O-N 2.64Å; P83-L86 PolarHBondContact O-N 3.45Å; L86-R88 VanDerWaalsContact C-N 3.27Å; L86-R88 PolarHBondContact O-N 2.94Å; L86-F89 PolarHBondContact O-N 3.39Å; L86-R90 VanDerWaalsContact O-CB 3.3Å; L86-R90 WeakPolarHBondContact O-CB 3.15Å; L86-R90 VanDerWaalsContact O-CG 3.24Å; L86-R90 WeakPolarHBondContact O-CG 3.3Å; L86-R90 PolarHBondContact O-N 3.27Å; L86-I98 HydrophobicContact CD1-CD1 4.31Å; L86-I98 HydrophobicContact CD1-CG2 4.43Å; L86-I98 HydrophobicContact CD2-CD1 3.98Å; L86-F265 HydrophobicContact CD2-CE2 3.69Å; L86-F265 HydrophobicContact CD2-CZ 4.31Å
87D86.5Confident91.8Very high107 Ų10759.4 Ų59.457%0.57232%0.318SS*.Hα-helixtrans-57.6-44.5174.3-78.7-15.8000110.8P83 A91P83-D87 PolarHBondContact O-N 3.41Å; D87-A91 WeakPolarHBondContact O-CB 3.43Å; D87-A91 PolarHBondContact O-N 3.18Å
88R86.5Confident91.8Very high77 Ų7761.3 Ų61.329%0.29133%0.327SS..Hα-helixtrans-68.1-47.8175.1-177.3172.5171.5-160.4-5.8111.9I85 L86 R90 A91 E92 I268I85-R88 PolarHBondContact O-N 3.07Å; L86-R88 VanDerWaalsContact C-N 3.27Å; L86-R88 PolarHBondContact O-N 2.94Å; R88-R90 PolarHBondContact O-N 3.45Å; R88-A91 PolarHBondContact O-N 3.27Å; R88-E92 WeakPolarHBondContact CG-OE1 3.45Å; R88-E92 IonicContact CZ-OE1 2.68Å; R88-E92 IonicContact NE-OE1 3.74Å; R88-E92 PolarHBondContact NE-OE1 3Å; R88-E92 IonicContact NH2-OE1 3.51Å; R88-E92 PolarHBondContact O-N 3.41Å; R88-I268 HydrophobicContact CB-CD1 4.33Å; R88-I268 HydrophobicContact CG-CB 4.27Å; R88-I268 HydrophobicContact CG-CD1 4.39Å; R88-I268 HydrophobicContact CG-CG2 4.28Å; R88-I268 PolarHBondContact NH1-O 3Å
89F93.6Very high91.8Very high0 Ų063.3 Ų63.30%033%0.332CS..Hα-helixtrans-59.8-44.8-177.7-172-106.7000112.3L69 I85 L86 A91 E92 H93 V96 I98 A264 F265 I268L69-F89 HydrophobicContact CD2-CE1 3.93Å; L69-F89 HydrophobicContact CD2-CE2 4.47Å; L69-F89 HydrophobicContact CD2-CZ 3.8Å; I85-F89 PolarHBondContact O-N 3.31Å; L86-F89 PolarHBondContact O-N 3.39Å; F89-A91 VanDerWaalsContact C-N 3.32Å; F89-A91 PolarHBondContact O-N 2.87Å; F89-E92 PolarHBondContact O-N 2.82Å; F89-H93 AromaticContact CD2-CD2 3.8Å; F89-H93 HydrophobicContact CE1-CB 4.38Å; F89-H93 HydrophobicContact CE2-CB 4.41Å; F89-H93 AromaticContact CE2-CD2 3.54Å; F89-H93 HydrophobicContact CZ-CB 4.19Å; F89-H93 PolarHBondContact O-N 3.46Å; F89-V96 HydrophobicContact CE1-CB 3.99Å; F89-V96 HydrophobicContact CE1-CG1 3.76Å; F89-V96 HydrophobicContact CE1-CG2 4.45Å; F89-V96 HydrophobicContact CZ-CB 4.37Å; F89-V96 HydrophobicContact CZ-CG1 4.08Å; F89-V96 HydrophobicContact CZ-CG2 4.37Å; F89-I98 HydrophobicContact CD1-CD1 4.19Å; F89-I98 HydrophobicContact CD1-CG1 4.48Å; F89-I98 HydrophobicContact CE1-CG1 4.47Å; F89-A264 HydrophobicContact CE2-CB 4.13Å; F89-F265 HydrophobicContact CB-CD2 4.38Å; F89-F265 HydrophobicContact CD1-CD2 4.2Å; F89-F265 HydrophobicContact CD2-CB 4.05Å; F89-F265 AromaticContact CD2-CD2 3.66Å; F89-F265 HydrophobicContact CD2-CD2 3.66Å; F89-F265 HydrophobicContact CD2-CG 4.22Å; F89-F265 HydrophobicContact CE1-CD2 4.43Å; F89-F265 HydrophobicContact CE2-CB 3.76Å; F89-F265 AromaticContact CE2-CD2 3.93Å; F89-F265 HydrophobicContact CE2-CD2 3.93Å; F89-F265 HydrophobicContact CE2-CG 4.32Å; F89-F265 AromaticContact CG-CD2 3.8Å; F89-F265 HydrophobicContact CG-CD2 3.8Å; F89-F265 HydrophobicContact CG-CE2 4.34Å; F89-F265 HydrophobicContact CZ-CB 4.45Å; F89-F265 HydrophobicContact CZ-CD2 4.31Å; F89-I268 HydrophobicContact CB-CD1 3.59Å; F89-I268 HydrophobicContact CD2-CD1 4.11Å; F89-I268 HydrophobicContact CG-CD1 4.32Å
90R90.1Very high91.9Very high153 Ų15359.6 Ų59.658%0.57732%0.322SS*.Hα-helixtrans-68.4-31.1-179.1-70.9172.162-156.5-1.9112.8L86 R88 P94 I98L86-R90 VanDerWaalsContact O-CB 3.3Å; L86-R90 WeakPolarHBondContact O-CB 3.15Å; L86-R90 VanDerWaalsContact O-CG 3.24Å; L86-R90 WeakPolarHBondContact O-CG 3.3Å; L86-R90 PolarHBondContact O-N 3.27Å; R88-R90 PolarHBondContact O-N 3.45Å; R90-P94 WeakPolarHBondContact O-CA 3.3Å; R90-I98 HydrophobicContact CG-CD1 3.74Å
91A84.5Confident92.1Very high82 Ų8261.7 Ų61.768%0.67833%0.334SS*.Hα-helixtrans-67.8-39.1174.200000111.8D87 R88 F89D87-A91 WeakPolarHBondContact O-CB 3.43Å; D87-A91 PolarHBondContact O-N 3.18Å; R88-A91 PolarHBondContact O-N 3.27Å; F89-A91 VanDerWaalsContact C-N 3.32Å; F89-A91 PolarHBondContact O-N 2.87Å
92E88Confident92.2Very high94 Ų9464.2 Ų64.244%0.43935%0.35SS..Hα-helixtrans-81.5-31.2179.2-64.7-178.7-153.900112.5R88 F89 I268R88-E92 WeakPolarHBondContact CG-OE1 3.45Å; R88-E92 IonicContact CZ-OE1 2.68Å; R88-E92 IonicContact NE-OE1 3.74Å; R88-E92 PolarHBondContact NE-OE1 3Å; R88-E92 IonicContact NH2-OE1 3.51Å; R88-E92 PolarHBondContact O-N 3.41Å; F89-E92 PolarHBondContact O-N 2.82Å; E92-I268 WeakPolarHBondContact OE2-CG2 3.49Å
93H91.3Very high92.2Very high39 Ų3965.4 Ų65.418%0.18136%0.363CS..  trans-135.667-172.9-55.5-59000113.1F89 S95 V96F89-H93 AromaticContact CD2-CD2 3.8Å; F89-H93 HydrophobicContact CE1-CB 4.38Å; F89-H93 HydrophobicContact CE2-CB 4.41Å; F89-H93 AromaticContact CE2-CD2 3.54Å; F89-H93 HydrophobicContact CZ-CB 4.19Å; F89-H93 PolarHBondContact O-N 3.46Å; H93-S95 VanDerWaalsContact C-N 3.25Å; H93-S95 PolarHBondContact O-N 3.13Å; H93-V96 HydrophobicContact CB-CB 4.48Å; H93-V96 HydrophobicContact CB-CG2 3.84Å; H93-V96 PolarHBondContact O-N 3.11Å
94P87.2Confident92.3Very high106 Ų10663.8 Ų63.869%0.68835%0.352SS*.THydrogen-bonded Turntrans-68.8-18.3-173.627.3-36.4000114.8R90 V96R90-P94 WeakPolarHBondContact O-CA 3.3Å; P94-V96 VanDerWaalsContact C-N 3.33Å
95S89.6Confident92.6Very high64 Ų6461 Ų6145%0.44834%0.336SS..THydrogen-bonded Turntrans-89.44.3-180-54.10000113.5S66 H93S66-S95 WeakPolarHBondContact CA-O 3.21Å; H93-S95 VanDerWaalsContact C-N 3.25Å; H93-S95 PolarHBondContact O-N 3.13Å
96V92.5Very high92.7Very high14 Ų1461.4 Ų61.49%0.08534%0.342CS..EExtended strand (participates in β ladder)trans-92.1125.4177178.50000109.5L65 G67 L69 F89 H93 P94 L261L65-V96 HydrophobicContact CG-CG2 4.24Å; G67-V96 CarbonylContact O-C 3.58Å; G67-V96 WeakPolarHBondContact O-CA 3.32Å; L69-V96 HydrophobicContact CB-CG1 3.91Å; F89-V96 HydrophobicContact CE1-CB 3.99Å; F89-V96 HydrophobicContact CE1-CG1 3.76Å; F89-V96 HydrophobicContact CE1-CG2 4.45Å; F89-V96 HydrophobicContact CZ-CB 4.37Å; F89-V96 HydrophobicContact CZ-CG1 4.08Å; F89-V96 HydrophobicContact CZ-CG2 4.37Å; H93-V96 HydrophobicContact CB-CB 4.48Å; H93-V96 HydrophobicContact CB-CG2 3.84Å; H93-V96 PolarHBondContact O-N 3.11Å; P94-V96 VanDerWaalsContact C-N 3.33Å; V96-L261 HydrophobicContact CB-CD2 4.32Å; V96-L261 HydrophobicContact CG1-CD2 3.84Å; V96-L261 HydrophobicContact CG2-CD2 3.46Å; V96-L261 VanDerWaalsContact CG2-CD2 3.46Å
97E94.6Very high92.8Very high100 Ų10062 Ų6247%0.46735%0.345SS..EExtended strand (participates in β ladder)trans-82123.6170.7-174.6176.2-178.600109.7G67 E68 L69 K99G67-E97 PolarHBondContact O-N 2.84Å; E68-E97 CarbonylContact C-O 3.6Å; E68-E97 WeakPolarHBondContact CA-O 3.34Å; E68-E97 HydrophobicContact CG-CB 4.39Å; L69-E97 PolarHBondContact N-O 3.06Å; E97-K99 VanDerWaalsContact CD-CE 3.44Å; E97-K99 HydrophobicContact CG-CD 4.35Å; E97-K99 WeakPolarHBondContact OE1-CE 3.38Å; E97-K99 IonicContact OE1-NZ 2.64Å; E97-K99 PolarHBondContact OE1-NZ 2.99Å; E97-K99 IonicContact OE2-NZ 3.16Å; E97-K99 PolarHBondContact OE2-NZ 3.09Å
98I95.8Very high93.3Very high43 Ų4356.9 Ų56.922%0.22132%0.318CS..EExtended strand (participates in β ladder)trans-95117.3178.9-60.3162.2000108.8I71 L86 F89 R90I71-I98 HydrophobicContact CD1-CG2 3.9Å; I71-I98 HydrophobicContact CG1-CG2 4.47Å; L86-I98 HydrophobicContact CD1-CD1 4.31Å; L86-I98 HydrophobicContact CD1-CG2 4.43Å; L86-I98 HydrophobicContact CD2-CD1 3.98Å; F89-I98 HydrophobicContact CD1-CD1 4.19Å; F89-I98 HydrophobicContact CD1-CG1 4.48Å; F89-I98 HydrophobicContact CE1-CG1 4.47Å; R90-I98 HydrophobicContact CG-CD1 3.74Å
99K97.7Very high93.7Very high61 Ų6154.4 Ų54.427%0.26531%0.31SS..EExtended strand (participates in β ladder)trans-97.593.2173.5-56.6-67.9-171.4177.90109.1E68 L69 H70 I71 E97E68-K99 HydrophobicContact CB-CG 4.3Å; E68-K99 WeakPolarHBondContact OE1-CE 3.47Å; E68-K99 IonicContact OE1-NZ 3.21Å; E68-K99 PolarHBondContact OE1-NZ 2.94Å; L69-K99 PolarHBondContact O-N 3.16Å; H70-K99 WeakPolarHBondContact CA-O 3.5Å; I71-K99 PolarHBondContact N-O 2.87Å; E97-K99 VanDerWaalsContact CD-CE 3.44Å; E97-K99 HydrophobicContact CG-CD 4.35Å; E97-K99 WeakPolarHBondContact OE1-CE 3.38Å; E97-K99 IonicContact OE1-NZ 2.64Å; E97-K99 PolarHBondContact OE1-NZ 2.99Å; E97-K99 IonicContact OE2-NZ 3.16Å; E97-K99 PolarHBondContact OE2-NZ 3.09Å
100L97.9Very high93.8Very high74 Ų7459.1 Ų59.139%0.38733%0.332SS..EExtended strand (participates in β ladder)trans-87.6124.7178.4-179.462.3000111.1I71 L82 T102I71-L100 HydrophobicContact CB-CD1 4.26Å; I71-L100 HydrophobicContact CG2-CD1 4.16Å; I71-L100 WeakPolarHBondContact O-CA 3.32Å; L82-L100 HydrophobicContact CD2-CD1 3.56Å; L82-L100 HydrophobicContact CD2-CD2 3.53Å; L82-L100 HydrophobicContact CD2-CG 4.18Å; L100-T102 HydrophobicContact CG-CG2 4.44Å
101T98.4Very high94.1Very high78 Ų7854.2 Ų54.248%0.47932%0.315SS..EExtended strand (participates in β ladder)trans-114130169.4-58.10000109.5I71 F72 C73I71-T101 PolarHBondContact O-N 3.21Å; F72-T101 WeakPolarHBondContact CA-O 3.45Å; F72-T101 HydrophobicContact CD2-CG2 3.93Å; F72-T101 HydrophobicContact CE2-CG2 4.23Å; C73-T101 PolarHBondContact N-O 2.88Å; C73-T101 VanDerWaalsContact N-O 3.16Å
102T97.5Very high94.7Very high71 Ų7150.3 Ų50.344%0.43628%0.283SS..EExtended strand (participates in β ladder)trans-107.4141.6174.856.70000111.6C73 A78 L100C73-T102 WeakPolarHBondContact O-CA 3.17Å; A78-T102 HydrophobicContact CB-CG2 4.15Å; L100-T102 HydrophobicContact CG-CG2 4.44Å
103G95.8Very high95.1Very high29 Ų2949 Ų4930%0.29928%0.281SS..EExtended strand (participates in β ladder)trans-162.7-156.3177.900000112.9C73 S74C73-G103 PolarHBondContact O-N 2.86Å; C73-G103 VanDerWaalsContact O-N 3.12Å; S74-G103 WeakPolarHBondContact CA-O 3.46Å
104D95.6Very high95.2Very high20 Ų2047.5 Ų47.511%0.10728%0.275CS..  trans-66138.1175.1-161.4-45.3000110.2F72 A106 D107 G201F72-D104 WeakPolarHBondContact CE1-O 3.47Å; F72-D104 WeakPolarHBondContact CZ-O 3.42Å; D104-A106 PolarHBondContact O-N 3.32Å; D104-A106 WeakPolarHBondContact OD1-CB 3.49Å; D104-A106 PolarHBondContact OD1-N 3.2Å; D104-D107 PolarHBondContact O-N 3.33Å; D104-D107 VanDerWaalsContact O-N 3.16Å; D104-G201 PolarHBondContact OD2-N 3.3Å
105A95.3Very high95.6Very high27 Ų2742.5 Ų42.522%0.22324%0.242CC..G310 helixtrans-59.9-28.3175.300000112.3D107A105-D107 VanDerWaalsContact C-N 3.28Å; A105-D107 PolarHBondContact O-N 2.88Å
106A94.5Very high95.8Very high26 Ų2642.2 Ų42.222%0.21523%0.234CC..G310 helixtrans-64.7-30.6177.800000113.1D104 A108 Q174D104-A106 PolarHBondContact O-N 3.32Å; D104-A106 WeakPolarHBondContact OD1-CB 3.49Å; D104-A106 PolarHBondContact OD1-N 3.2Å; A106-A108 VanDerWaalsContact C-N 3.35Å; A106-Q174 HydrophobicContact CB-CG 3.74Å
107D95.6Very high96.1Very high37 Ų3741.7 Ų41.720%0.19823%0.231CC..G310 helixtrans-82.1-15.2-174.5-58.1-24.7000112.6F72 D104 A105 M109 E110 K111 Q174F72-D107 HydrophobicContact CE1-CB 4.36Å; F72-D107 HydrophobicContact CZ-CB 4.04Å; D104-D107 PolarHBondContact O-N 3.33Å; D104-D107 VanDerWaalsContact O-N 3.16Å; A105-D107 VanDerWaalsContact C-N 3.28Å; A105-D107 PolarHBondContact O-N 2.88Å; D107-M109 VanDerWaalsContact C-N 3.31Å; D107-M109 PolarHBondContact O-N 2.97Å; D107-E110 WeakPolarHBondContact O-CB 3.47Å; D107-E110 PolarHBondContact O-N 2.88Å; D107-K111 WeakPolarHBondContact O-CG 3.28Å; D107-K111 PolarHBondContact O-N 3.18Å; D107-Q174 PolarHBondContact OD1-NE2 2.83Å
108A97.1Very high96.3Very high0 Ų037.4 Ų37.40%021%0.211CC..Hα-helixtrans-56.3-42.9-167.800000113.7F72 A106 V112 A120 A122F72-A108 VanDerWaalsContact CD1-CA 3.43Å; F72-A108 HydrophobicContact CD1-CB 3.67Å; F72-A108 VanDerWaalsContact CE1-CA 3.46Å; F72-A108 HydrophobicContact CE1-CB 3.72Å; A106-A108 VanDerWaalsContact C-N 3.35Å; A108-V112 PolarHBondContact O-N 3.33Å; A108-A120 HydrophobicContact CB-CB 4.08Å; A108-A120 VanDerWaalsContact O-CB 3.27Å; A108-A120 WeakPolarHBondContact O-CB 3.3Å; A108-A122 HydrophobicContact CB-CB 3.64Å
109M95.4Very high96.4Very high24 Ų2435.4 Ų35.412%0.11820%0.201CC..Hα-helixtrans-67.5-41.6177.7-170.763.864.200111.7D107 V112 V113 A122 P125 L128 P129 V132 F134 C251D107-M109 VanDerWaalsContact C-N 3.31Å; D107-M109 PolarHBondContact O-N 2.97Å; M109-V112 PolarHBondContact O-N 3.01Å; M109-V113 WeakPolarHBondContact O-CG2 3.46Å; M109-V113 PolarHBondContact O-N 3.27Å; M109-A122 HydrophobicContact CE-CB 4.17Å; M109-P125 HydrophobicContact CE-CG 4.3Å; M109-L128 HydrophobicContact CE-CD1 3.83Å; M109-L128 HydrophobicContact SD-CD1 4.37Å; M109-P129 HydrophobicContact CG-CG 4.33Å; M109-V132 HydrophobicContact CE-CG1 4.48Å; M109-V132 HydrophobicContact SD-CB 4.19Å; M109-V132 HydrophobicContact SD-CG1 3.59Å; M109-V132 VanDerWaalsContact SD-CG1 3.59Å; M109-V132 HydrophobicContact SD-CG2 4.06Å; M109-F134 HydrophobicContact CE-CD2 4.21Å; M109-F134 HydrophobicContact CE-CE2 4.46Å; M109-C251 HydrophobicContact CE-CB 4.14Å; M109-C251 HydrophobicContact SD-CB 4.21Å
110E94.8Very high96.4Very high99 Ų9932.5 Ų32.546%0.46319%0.188SC..Hα-helixtrans-64.2-42.4-179.9-175.9177.1-173.700111.1D107 V112 V113 T114D107-E110 WeakPolarHBondContact O-CB 3.47Å; D107-E110 PolarHBondContact O-N 2.88Å; E110-V112 PolarHBondContact O-N 2.96Å; E110-V113 CarbonylContact O-C 3.57Å; E110-V113 WeakPolarHBondContact O-CA 3.45Å; E110-V113 PolarHBondContact O-N 3.48Å; E110-T114 HydrophobicContact CG-CG2 4.01Å; E110-T114 WeakPolarHBondContact O-CG2 3.35Å; E110-T114 PolarHBondContact O-N 3.21Å; E110-T114 PolarHBondContact O-OG1 2.75Å
111K97Very high96.4Very high50 Ų5029.2 Ų29.222%0.21717%0.171CC..Hα-helixtrans-56.6-36.3176-63.8-55.7-177.7-169.20112.9F72 D107 T114 G115 E116 A117F72-K111 HydrophobicContact CB-CB 4.28Å; F72-K111 HydrophobicContact CB-CG 4.49Å; F72-K111 HydrophobicContact CD1-CG 4.28Å; F72-K111 HydrophobicContact CD2-CB 4.48Å; F72-K111 HydrophobicContact CD2-CG 3.81Å; F72-K111 HydrophobicContact CE1-CG 4.47Å; F72-K111 HydrophobicContact CE2-CG 4.01Å; F72-K111 HydrophobicContact CG-CB 4.21Å; F72-K111 HydrophobicContact CG-CG 3.93Å; F72-K111 HydrophobicContact CZ-CG 4.33Å; D107-K111 WeakPolarHBondContact O-CG 3.28Å; D107-K111 PolarHBondContact O-N 3.18Å; K111-T114 PolarHBondContact O-OG1 3.46Å; K111-G115 CarbonylContact O-C 3.57Å; K111-G115 PolarHBondContact O-N 3.18Å; K111-E116 HydrophobicContact CB-CB 4.4Å; K111-E116 HydrophobicContact CD-CB 3.89Å; K111-E116 HydrophobicContact CD-CG 4.46Å; K111-E116 VanDerWaalsContact CD-OE2 3.32Å; K111-E116 WeakPolarHBondContact CD-OE2 2.96Å; K111-E116 WeakPolarHBondContact CE-OE2 3.39Å; K111-E116 IonicContact NZ-OE1 3.7Å; K111-E116 IonicContact NZ-OE2 3.76Å; K111-E116 PolarHBondContact NZ-OE2 3.3Å; K111-E116 PolarHBondContact O-N 3.25Å; K111-A117 HydrophobicContact CB-CB 4.04Å; K111-A117 PolarHBondContact O-N 2.93Å
112V97.4Very high96.4Very high0 Ų025.6 Ų25.60%015%0.149CC..Hα-helixtrans-72.3-41.9173.3170.30000111.4A108 M109 E110 G115 A120 A252 Q253A108-V112 PolarHBondContact O-N 3.33Å; M109-V112 PolarHBondContact O-N 3.01Å; E110-V112 PolarHBondContact O-N 2.96Å; V112-G115 PolarHBondContact O-N 3.22Å; V112-A120 HydrophobicContact CG2-CB 3.53Å; V112-A252 VanDerWaalsContact CG1-C 3.46Å; V112-Q253 HydrophobicContact CG1-CG 4.04Å; V112-Q253 WeakPolarHBondContact O-CG 3.38Å; V112-Q253 PolarHBondContact O-NE2 3.08Å
113V95.5Very high96.2Very high67 Ų6723.3 Ų23.341%0.40614%0.14SC..Hα-helixtrans-64.3-43.9179.7170.70000111.7M109 E110 G115 V132 Q253M109-V113 WeakPolarHBondContact O-CG2 3.46Å; M109-V113 PolarHBondContact O-N 3.27Å; E110-V113 CarbonylContact O-C 3.57Å; E110-V113 WeakPolarHBondContact O-CA 3.45Å; E110-V113 PolarHBondContact O-N 3.48Å; V113-G115 VanDerWaalsContact C-N 3.27Å; V113-G115 PolarHBondContact O-N 2.81Å; V113-V132 HydrophobicContact CG2-CG2 3.67Å; V113-Q253 PolarHBondContact O-NE2 3.15Å
114T94.8Very high96.1Very high8 Ų825.6 Ų25.65%0.04914%0.141CC..Hα-helixtrans-73.4-22.9178.862.60000112.1V42 Q46 E110 K111 E116V42-T114 HydrophobicContact CG2-CG2 3.99Å; Q46-T114 WeakPolarHBondContact CG-O 3.4Å; Q46-T114 PolarHBondContact NE2-O 3.43Å; E110-T114 HydrophobicContact CG-CG2 4.01Å; E110-T114 WeakPolarHBondContact O-CG2 3.35Å; E110-T114 PolarHBondContact O-N 3.21Å; E110-T114 PolarHBondContact O-OG1 2.75Å; K111-T114 PolarHBondContact O-OG1 3.46Å; T114-E116 WeakPolarHBondContact OG1-CG 3.45Å; T114-E116 PolarHBondContact OG1-N 3.19Å; T114-E116 PolarHBondContact OG1-OE1 3.42Å
115G94.2Very high95.8Very high1 Ų126.4 Ų26.41%0.0115%0.148CC..THydrogen-bonded Turntrans91.90.7-176.500000113.2L49 K111 V112 V113 A117L49-G115 WeakPolarHBondContact CD1-O 3.11Å; K111-G115 CarbonylContact O-C 3.57Å; K111-G115 PolarHBondContact O-N 3.18Å; V112-G115 PolarHBondContact O-N 3.22Å; V113-G115 VanDerWaalsContact C-N 3.27Å; V113-G115 PolarHBondContact O-N 2.81Å; G115-A117 PolarHBondContact O-N 2.95Å; G115-A117 VanDerWaalsContact O-N 3.13Å
116E95.4Very high95.4Very high57 Ų5733 Ų3327%0.26617%0.174SC..SBendtrans-58.4-23.4173.5-72.1172.6-12000113.7R41 K111 T114R41-E116 IonicContact CZ-OE1 2.93Å; R41-E116 IonicContact NH1-OE1 2.65Å; R41-E116 PolarHBondContact NH1-OE1 2.88Å; R41-E116 IonicContact NH2-OE1 3.55Å; R41-E116 PolarHBondContact NH2-OE1 3.41Å; K111-E116 HydrophobicContact CB-CB 4.4Å; K111-E116 HydrophobicContact CD-CB 3.89Å; K111-E116 HydrophobicContact CD-CG 4.46Å; K111-E116 VanDerWaalsContact CD-OE2 3.32Å; K111-E116 WeakPolarHBondContact CD-OE2 2.96Å; K111-E116 WeakPolarHBondContact CE-OE2 3.39Å; K111-E116 IonicContact NZ-OE1 3.7Å; K111-E116 IonicContact NZ-OE2 3.76Å; K111-E116 PolarHBondContact NZ-OE2 3.3Å; K111-E116 PolarHBondContact O-N 3.25Å; T114-E116 WeakPolarHBondContact OG1-CG 3.45Å; T114-E116 PolarHBondContact OG1-N 3.19Å; T114-E116 PolarHBondContact OG1-OE1 3.42Å
117A98.1Very high95.2Very high3 Ų337.4 Ų37.43%0.02520%0.198CC..  trans-129147.2168.100000110.9F72 K111 G115F72-A117 HydrophobicContact CB-CB 3.75Å; K111-A117 HydrophobicContact CB-CB 4.04Å; K111-A117 PolarHBondContact O-N 2.93Å; G115-A117 PolarHBondContact O-N 2.95Å; G115-A117 VanDerWaalsContact O-N 3.13Å
118D98Very high95Very high10 Ų1038.4 Ų38.45%0.05320%0.203CC..SBendtrans-75.8-41.2173.1-59.1-43.5000110.7L69 H70 R256 I262L69-D118 HydrophobicContact CD1-CB 4.06Å; H70-D118 WeakPolarHBondContact CB-OD2 3.49Å; H70-D118 IonicContact CD2-OD2 2.94Å; H70-D118 PolarHBondContact N-OD2 2.95Å; H70-D118 WeakPolarHBondContact O-CB 3.24Å; H70-D118 PolarHBondContact O-N 3Å; D118-R256 IonicContact OD1-CZ 2.66Å; D118-R256 IonicContact OD1-NH1 3.75Å; D118-R256 PolarHBondContact OD1-NH1 3.33Å; D118-R256 IonicContact OD1-NH2 3.83Å; D118-R256 PolarHBondContact OD1-NH2 3.43Å; D118-I262 HydrophobicContact CB-CD1 3.92Å; D118-I262 HydrophobicContact CB-CG1 4Å
119L98.4Very high94.8Very high1 Ų140.8 Ų40.81%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-134.4149.6179.9-67.9143.1000109.8L69 H70 I71 F72 V250 C251 A252 I262 F265 W266L69-L119 HydrophobicContact CD1-CD1 3.81Å; L69-L119 HydrophobicContact CD2-CD1 3.91Å; L69-L119 HydrophobicContact CG-CD1 4.14Å; H70-L119 PolarHBondContact O-N 3.18Å; I71-L119 WeakPolarHBondContact CA-O 3.47Å; F72-L119 PolarHBondContact N-O 2.91Å; L119-V250 HydrophobicContact CB-CG1 4.34Å; L119-V250 HydrophobicContact CD2-CG1 3.66Å; L119-C251 CarbonylContact C-O 3.59Å; L119-C251 VanDerWaalsContact CA-O 3.27Å; L119-C251 WeakPolarHBondContact CA-O 3.39Å; L119-A252 HydrophobicContact CD2-CB 3.91Å; L119-I262 HydrophobicContact CD2-CG2 4.3Å; L119-I262 HydrophobicContact CG-CG2 4.48Å; L119-F265 HydrophobicContact CD1-CB 3.72Å; L119-F265 HydrophobicContact CD1-CD1 3.54Å; L119-F265 HydrophobicContact CD1-CD2 4.18Å; L119-F265 HydrophobicContact CD1-CE1 4.14Å; L119-F265 HydrophobicContact CD1-CG 3.55Å; L119-F265 HydrophobicContact CD2-CD1 3.95Å; L119-F265 HydrophobicContact CD2-CE1 4.44Å; L119-F265 HydrophobicContact CG-CD1 4.32Å; L119-W266 HydrophobicContact CD2-CE3 3.65Å; L119-W266 HydrophobicContact CD2-CZ3 3.92Å
120A98.5Very high94.8Very high0 Ų042.6 Ų42.60%024%0.244CC..EExtended strand (participates in β ladder)trans-139.7148.4167.100000113.1F72 A108 V112 V250 C251F72-A120 HydrophobicContact CB-CB 4.06Å; F72-A120 HydrophobicContact CD1-CB 4.39Å; F72-A120 CarbonylContact O-C 3.52Å; F72-A120 WeakPolarHBondContact O-CA 3.36Å; F72-A120 VanDerWaalsContact O-CB 3.3Å; F72-A120 WeakPolarHBondContact O-CB 3.41Å; A108-A120 HydrophobicContact CB-CB 4.08Å; A108-A120 VanDerWaalsContact O-CB 3.27Å; A108-A120 WeakPolarHBondContact O-CB 3.3Å; V112-A120 HydrophobicContact CG2-CB 3.53Å; A120-V250 CarbonylContact O-C 3.5Å; A120-V250 VanDerWaalsContact O-CA 3.26Å; A120-V250 WeakPolarHBondContact O-CA 3.27Å; A120-C251 PolarHBondContact N-O 2.64Å; A120-C251 PolarHBondContact O-N 3.45Å
121I98.1Very high94.7Very high6 Ų641.4 Ų41.43%0.03125%0.251CS..EExtended strand (participates in β ladder)trans-86.7112.8164.5-57.6174.3000107.2F72 C73 A77 H81 L82 L137 L248 G249 V250F72-I121 PolarHBondContact O-N 2.99Å; C73-I121 HydrophobicContact CB-CB 3.82Å; C73-I121 HydrophobicContact CB-CD1 4.26Å; C73-I121 HydrophobicContact CB-CG1 4.24Å; A77-I121 HydrophobicContact CB-CB 4.26Å; A77-I121 HydrophobicContact CB-CD1 4.44Å; A77-I121 HydrophobicContact CB-CG2 3.92Å; H81-I121 HydrophobicContact CB-CD1 4.25Å; L82-I121 HydrophobicContact CB-CD1 3.96Å; L82-I121 HydrophobicContact CD1-CD1 3.92Å; I121-L137 HydrophobicContact CG2-CD1 4.32Å; I121-L248 HydrophobicContact CG2-CD1 3.88Å; I121-L248 HydrophobicContact CG2-CD2 3.91Å; I121-L248 HydrophobicContact CG2-CG 3.87Å; I121-G249 CarbonylContact C-O 3.57Å; I121-G249 WeakPolarHBondContact CA-O 3.06Å; I121-V250 HydrophobicContact CG1-CG2 4.39Å
122A96.8Very high94.8Very high2 Ų239.1 Ų39.12%0.01724%0.241CC..EExtended strand (participates in β ladder)trans-133.7148.2-170.600000111.8A108 M109 F134 G249A108-A122 HydrophobicContact CB-CB 3.64Å; M109-A122 HydrophobicContact CE-CB 4.17Å; A122-F134 WeakPolarHBondContact O-CE2 3.27Å; A122-G249 PolarHBondContact N-O 3.23Å; A122-G249 PolarHBondContact O-N 2.79Å
123G94.5Very high94.7Very high23 Ų2339.6 Ų39.624%0.23725%0.245CC..EExtended strand (participates in β ladder)trans-67.8136.5162.300000109.9P125 E247G123-P125 WeakPolarHBondContact O-CD 3.26Å; G123-E247 CarbonylContact C-O 3.58Å; G123-E247 WeakPolarHBondContact CA-O 3.14Å
124K93.7Very high94.8Very high76 Ų7638.3 Ų38.333%0.3323%0.234SC..PPolyproline II helixtrans-68.5121.4176-168.4169151.2-146.90109.2F134 E247K124-F134 HydrophobicContact CB-CE1 3.93Å; K124-F134 HydrophobicContact CB-CE2 3.98Å; K124-F134 HydrophobicContact CB-CZ 3.55Å; K124-F134 HydrophobicContact CD-CD1 4.05Å; K124-F134 HydrophobicContact CD-CE1 3.86Å; K124-F134 HydrophobicContact CD-CZ 4.35Å; K124-F134 HydrophobicContact CG-CD1 4.42Å; K124-F134 HydrophobicContact CG-CE1 4.17Å; K124-F134 HydrophobicContact CG-CE2 4.44Å; K124-F134 HydrophobicContact CG-CZ 4.17Å; K124-E247 HydrophobicContact CB-CB 3.79Å; K124-E247 HydrophobicContact CD-CB 4.24Å; K124-E247 WeakPolarHBondContact CD-OE2 3.4Å; K124-E247 WeakPolarHBondContact CE-OE2 3.37Å; K124-E247 PolarHBondContact N-O 2.96Å; K124-E247 IonicContact NZ-OE1 3.91Å; K124-E247 PolarHBondContact NZ-OE1 3.12Å; K124-E247 IonicContact NZ-OE2 2.8Å; K124-E247 PolarHBondContact NZ-OE2 3.43Å
125P89Confident94.9Very high37 Ų3738.1 Ų38.124%0.2423%0.233CC..PPolyproline II helixtrans-69.3161.9172.530.6-35.8000110.3M109 G123 T127 L128M109-P125 HydrophobicContact CE-CG 4.3Å; G123-P125 WeakPolarHBondContact O-CD 3.26Å; P125-T127 WeakPolarHBondContact CG-O 3.42Å; P125-T127 PolarHBondContact O-N 3.35Å; P125-L128 HydrophobicContact CG-CD1 4.34Å
126E87Confident95Very high166 Ų16640.2 Ų40.278%0.77624%0.243SC*.SBendtrans-54.6-40.5174.5-67.2-179.3177.600111.5
127T89.8Confident95Very high118 Ų11839.4 Ų39.472%0.72424%0.241SC*.SBendtrans-118110.8173.3-54.60000109.4P125P125-T127 WeakPolarHBondContact CG-O 3.42Å; P125-T127 PolarHBondContact O-N 3.35Å
128L92.2Very high94.8Very high58 Ų5843.8 Ų43.830%0.30426%0.261SS..  trans-70.2129174.1-171.170.9000110.2M109 P125 G130 V132 F134M109-L128 HydrophobicContact CE-CD1 3.83Å; M109-L128 HydrophobicContact SD-CD1 4.37Å; P125-L128 HydrophobicContact CG-CD1 4.34Å; L128-G130 PolarHBondContact O-N 3.47Å; L128-V132 HydrophobicContact CD1-CG1 4.25Å; L128-F134 HydrophobicContact CD1-CB 4Å; L128-F134 HydrophobicContact CD1-CD2 4.2Å; L128-F134 HydrophobicContact CD1-CG 4.37Å; L128-F134 HydrophobicContact CD2-CB 3.72Å
129P93.1Very high94.7Very high50 Ų5047.6 Ų47.633%0.32528%0.281SS..  trans-56.7132.9174.4-2534.4000111.3M109 A131 V132M109-P129 HydrophobicContact CG-CG 4.33Å; P129-A131 PolarHBondContact O-N 3.27Å; P129-V132 HydrophobicContact CB-CB 4.37Å; P129-V132 HydrophobicContact CB-CG2 3.98Å; P129-V132 HydrophobicContact CG-CG2 4.35Å; P129-V132 PolarHBondContact O-N 2.65Å
130G93.9Very high94.6Very high63 Ų6348.3 Ų48.365%0.64929%0.285SS*.THydrogen-bonded Turntrans-58.3-27.5-173.600000114.6L128 V132 K254L128-G130 PolarHBondContact O-N 3.47Å; G130-V132 VanDerWaalsContact C-N 3.34Å; G130-K254 WeakPolarHBondContact O-CD 3.48Å; G130-K254 WeakPolarHBondContact O-CE 3.45Å; G130-K254 PolarHBondContact O-NZ 3.41Å
131A94.2Very high94.4Very high73 Ų7350.7 Ų50.760%0.60330%0.304SS*.THydrogen-bonded Turntrans-82.5-517800000114.3P129 K254P129-A131 PolarHBondContact O-N 3.27Å; A131-K254 PolarHBondContact O-N 3.07Å
132V97.5Very high94.3Very high2 Ų250.9 Ų50.91%0.01231%0.306CS..EExtended strand (participates in β ladder)trans-105.4132.6-177176.90000110.9M109 V113 L128 P129 G130 C251 K254M109-V132 HydrophobicContact CE-CG1 4.48Å; M109-V132 HydrophobicContact SD-CB 4.19Å; M109-V132 HydrophobicContact SD-CG1 3.59Å; M109-V132 VanDerWaalsContact SD-CG1 3.59Å; M109-V132 HydrophobicContact SD-CG2 4.06Å; V113-V132 HydrophobicContact CG2-CG2 3.67Å; L128-V132 HydrophobicContact CD1-CG1 4.25Å; P129-V132 HydrophobicContact CB-CB 4.37Å; P129-V132 HydrophobicContact CB-CG2 3.98Å; P129-V132 HydrophobicContact CG-CG2 4.35Å; P129-V132 PolarHBondContact O-N 2.65Å; G130-V132 VanDerWaalsContact C-N 3.34Å; V132-C251 HydrophobicContact CG1-CB 3.69Å; V132-K254 VanDerWaalsContact O-CE 3.22Å; V132-K254 WeakPolarHBondContact O-CE 3.36Å
133A97.2Very high94.2Very high11 Ų1151.3 Ų51.39%0.09131%0.308CS..EExtended strand (participates in β ladder)trans-88.4146165.800000109.3C251 A252 K254 L257 W266A133-C251 WeakPolarHBondContact O-CA 3.46Å; A133-C251 VanDerWaalsContact O-CB 3.31Å; A133-C251 WeakPolarHBondContact O-CB 3.46Å; A133-A252 PolarHBondContact N-O 3.42Å; A133-A252 PolarHBondContact O-N 3.05Å; A133-A252 VanDerWaalsContact O-N 3.13Å; A133-K254 HydrophobicContact CB-CG 3.9Å; A133-L257 HydrophobicContact CB-CD1 3.61Å; A133-L257 HydrophobicContact CB-CD2 4.36Å; A133-L257 HydrophobicContact CB-CG 4.23Å; A133-W266 HydrophobicContact CB-CH2 3.82Å; A133-W266 HydrophobicContact CB-CZ2 3.75Å
134F96.9Very high94.3Very high40 Ų4050.2 Ų50.218%0.17530%0.297CS..EExtended strand (participates in β ladder)trans-138.5124.7-179.4-170.2-87.6000109.4M109 A122 K124 L128 M136 G249 V250 C251M109-F134 HydrophobicContact CE-CD2 4.21Å; M109-F134 HydrophobicContact CE-CE2 4.46Å; A122-F134 WeakPolarHBondContact O-CE2 3.27Å; K124-F134 HydrophobicContact CB-CE1 3.93Å; K124-F134 HydrophobicContact CB-CE2 3.98Å; K124-F134 HydrophobicContact CB-CZ 3.55Å; K124-F134 HydrophobicContact CD-CD1 4.05Å; K124-F134 HydrophobicContact CD-CE1 3.86Å; K124-F134 HydrophobicContact CD-CZ 4.35Å; K124-F134 HydrophobicContact CG-CD1 4.42Å; K124-F134 HydrophobicContact CG-CE1 4.17Å; K124-F134 HydrophobicContact CG-CE2 4.44Å; K124-F134 HydrophobicContact CG-CZ 4.17Å; L128-F134 HydrophobicContact CD1-CB 4Å; L128-F134 HydrophobicContact CD1-CD2 4.2Å; L128-F134 HydrophobicContact CD1-CG 4.37Å; L128-F134 HydrophobicContact CD2-CB 3.72Å; F134-M136 HydrophobicContact CE1-SD 4.14Å; F134-G249 VanDerWaalsContact CZ-N 3.26Å; F134-V250 CarbonylContact C-O 3.59Å; F134-V250 WeakPolarHBondContact CA-O 3.26Å; F134-C251 HydrophobicContact CD2-CB 4.03Å
135S96.7Very high94.5Very high4 Ų446.6 Ų46.63%0.02828%0.281CS..EExtended strand (participates in β ladder)trans-112.9117.6174-165.80000109.1G249 V250 N271S135-G249 CarbonylContact O-C 3.51Å; S135-G249 WeakPolarHBondContact O-CA 3.5Å; S135-V250 PolarHBondContact N-O 2.67Å; S135-V250 PolarHBondContact O-N 2.8Å; S135-N271 PolarHBondContact OG-ND2 3.36Å
136M95.9Very high94.9Very high44 Ų4444.9 Ų44.922%0.21727%0.27CS..EExtended strand (participates in β ladder)trans-66.3136-175.8-174.562175.600111.8F134 E138 N139 E247 N271F134-M136 HydrophobicContact CE1-SD 4.14Å; M136-E138 WeakPolarHBondContact CE-O 3.31Å; M136-N139 WeakPolarHBondContact CE-OD1 3.46Å; M136-E247 HydrophobicContact CE-CB 3.7Å; M136-E247 HydrophobicContact CE-CG 3.71Å; M136-E247 HydrophobicContact SD-CB 3.72Å; M136-E247 HydrophobicContact SD-CG 4.17Å; M136-N271 PolarHBondContact N-ND2 2.9Å; M136-N271 PolarHBondContact O-ND2 2.92Å
137L95.5Very high95.5Very high41 Ų4137 Ų3722%0.21523%0.233CC..EExtended strand (participates in β ladder)trans-108-54.5174.2-68.1177.7000111.3I85 I121 L248 V250 L269 P270I85-L137 HydrophobicContact CD1-CD1 3.89Å; I85-L137 HydrophobicContact CD1-CD2 4.09Å; I121-L137 HydrophobicContact CG2-CD1 4.32Å; L137-L248 WeakPolarHBondContact CA-O 3.46Å; L137-L248 PolarHBondContact N-O 3.32Å; L137-V250 HydrophobicContact CD1-CG2 3.8Å; L137-V250 HydrophobicContact CD2-CG2 4.29Å; L137-V250 HydrophobicContact CG-CG2 4.16Å; L137-L269 HydrophobicContact CD2-CD2 4.49Å; L137-P270 HydrophobicContact CD2-CG 4.18Å
138E94.6Very high95.8Very high94 Ų9432.6 Ų32.644%0.43921%0.209SC..EExtended strand (participates in β ladder)trans-157.6151.7-170.3-174172.1-171.100112.4H81 M136 L140 L248H81-E138 IonicContact CD2-OE2 2.98Å; H81-E138 IonicContact CE1-OE2 2.76Å; H81-E138 IonicContact NE2-OE2 3.61Å; H81-E138 PolarHBondContact NE2-OE2 3.44Å; M136-E138 WeakPolarHBondContact CE-O 3.31Å; E138-L140 HydrophobicContact CB-CD2 4.37Å; E138-L140 HydrophobicContact CG-CD2 4.14Å; E138-L248 PolarHBondContact N-O 3.21Å; E138-L248 VanDerWaalsContact N-O 3.15Å; E138-L248 PolarHBondContact O-N 2.88Å
139N96Very high95.9Very high91 Ų9133.6 Ų33.649%0.48721%0.214SC..EExtended strand (participates in β ladder)trans-91.5106.4165.6-78.7-45.7000109.9M136 P245 F246M136-N139 WeakPolarHBondContact CE-OD1 3.46Å; N139-P245 HydrophobicContact CB-CB 3.69Å; N139-P245 HydrophobicContact CB-CG 3.78Å; N139-F246 CarbonylContact C-O 3.54Å
140L95.4Very high96Very high15 Ų1536.3 Ų36.38%0.07923%0.232CC..EExtended strand (participates in β ladder)trans-79.3123.1179.3-53.3-179000110.7E138 P219 V221 P245 F246 L248E138-L140 HydrophobicContact CB-CD2 4.37Å; E138-L140 HydrophobicContact CG-CD2 4.14Å; L140-P219 HydrophobicContact CB-CB 4.23Å; L140-P219 HydrophobicContact CD1-CB 4.14Å; L140-V221 HydrophobicContact CD1-CG1 4.03Å; L140-V221 HydrophobicContact CD2-CG1 4.08Å; L140-P245 CarbonylContact O-C 3.48Å; L140-P245 WeakPolarHBondContact O-CA 3.43Å; L140-P245 VanDerWaalsContact O-CB 3.24Å; L140-P245 WeakPolarHBondContact O-CB 3.5Å; L140-F246 HydrophobicContact CB-CB 4.37Å; L140-F246 PolarHBondContact N-O 3.14Å; L140-F246 PolarHBondContact O-N 3.38Å; L140-L248 HydrophobicContact CD1-CB 3.96Å; L140-L248 HydrophobicContact CD1-CD1 4.13Å; L140-L248 HydrophobicContact CD1-CD2 4.16Å; L140-L248 HydrophobicContact CD1-CG 4.31Å; L140-L248 HydrophobicContact CD2-CB 4.39Å; L140-L248 HydrophobicContact CD2-CD2 4.28Å; L140-L248 HydrophobicContact CG-CB 3.95Å
141A95Very high96.1Very high50 Ų5034.5 Ų34.541%0.41321%0.209SC..  trans-60.4145.9170.500000110.8P219 E220A141-P219 CarbonylContact O-C 3.42Å; A141-P219 VanDerWaalsContact O-CA 3.28Å; A141-P219 WeakPolarHBondContact O-CA 3.48Å; A141-E220 HydrophobicContact CB-CB 4.21Å; A141-E220 WeakPolarHBondContact CB-OE2 3.4Å; A141-E220 PolarHBondContact O-N 2.9Å
142V94.7Very high96.3Very high11 Ų1135.9 Ų35.97%0.06721%0.211CC..EExtended strand (participates in β ladder)trans-113.2128.5178.6-176.20000108.3L217 L218 E242 F246V142-L217 HydrophobicContact CG1-CD1 3.84Å; V142-L217 HydrophobicContact CG1-CD2 4.13Å; V142-L217 HydrophobicContact CG1-CG 3.62Å; V142-L218 WeakPolarHBondContact CA-O 3.45Å; V142-E242 HydrophobicContact CB-CG 4.19Å; V142-E242 HydrophobicContact CG1-CG 4.11Å; V142-F246 HydrophobicContact CG1-CE2 4.31Å; V142-F246 HydrophobicContact CG2-CD2 3.37Å; V142-F246 HydrophobicContact CG2-CE2 3.5Å; V142-F246 VanDerWaalsContact CG2-CE2 3.5Å; V142-F246 HydrophobicContact CG2-CG 4.33Å
143V96.1Very high96.3Very high10 Ų1036.2 Ų36.26%0.06121%0.213CC..EExtended strand (participates in β ladder)trans-124.6144.1-176-69.40000111I145 L217 L218 E220 I236V143-I145 HydrophobicContact CG2-CG2 3.95Å; V143-L217 WeakPolarHBondContact O-CA 3.34Å; V143-L218 HydrophobicContact CG2-CD1 4.29Å; V143-L218 PolarHBondContact N-O 2.81Å; V143-L218 PolarHBondContact O-N 3.12Å; V143-E220 HydrophobicContact CG1-CB 3.87Å; V143-E220 HydrophobicContact CG1-CG 3.97Å; V143-E220 HydrophobicContact CG2-CB 3.94Å; V143-E220 HydrophobicContact CG2-CG 4.28Å; V143-I236 HydrophobicContact CB-CG1 4.48Å; V143-I236 HydrophobicContact CB-CG2 4.04Å; V143-I236 HydrophobicContact CG1-CD1 4.29Å; V143-I236 HydrophobicContact CG1-CG2 4.03Å
144L96.7Very high96.3Very high1 Ų139.6 Ų39.61%0.00522%0.224CC..EExtended strand (participates in β ladder)trans-90.4120.4166.6-179.465.6000108.5W164 F169 V215 A216 L217 L237L144-W164 HydrophobicContact CD2-CH2 3.59Å; L144-W164 HydrophobicContact CD2-CZ2 4.26Å; L144-W164 HydrophobicContact CD2-CZ3 4.1Å; L144-F169 HydrophobicContact CD1-CE1 4.23Å; L144-V215 HydrophobicContact CD1-CB 4.26Å; L144-V215 HydrophobicContact CD1-CG2 4.28Å; L144-A216 WeakPolarHBondContact CA-O 3.47Å; L144-L217 HydrophobicContact CB-CD1 4.01Å; L144-L217 HydrophobicContact CD1-CB 4.48Å; L144-L237 HydrophobicContact CB-CB 4.44Å; L144-L237 HydrophobicContact CD2-CB 4.3Å; L144-L237 HydrophobicContact CD2-CD1 3.89Å; L144-L237 HydrophobicContact CG-CB 4.37Å; L144-L237 HydrophobicContact CG-CD1 4.12Å; L144-L237 PolarHBondContact O-N 2.8Å
145I97.5Very high96.4Very high0 Ų042.9 Ų42.90%024%0.243CC..EExtended strand (participates in β ladder)trans-108.9148.1-178.961159.2000111.8V143 V206 V209 V215 A216 L218 L223 V234 M235 I236V143-I145 HydrophobicContact CG2-CG2 3.95Å; I145-V206 HydrophobicContact CD1-CB 4.45Å; I145-V206 HydrophobicContact CD1-CG1 4.42Å; I145-V206 HydrophobicContact CD1-CG2 4.23Å; I145-V209 HydrophobicContact CB-CG1 4.46Å; I145-V209 HydrophobicContact CD1-CB 3.88Å; I145-V209 HydrophobicContact CD1-CG1 3.98Å; I145-V209 HydrophobicContact CD1-CG2 3.78Å; I145-V209 HydrophobicContact CG1-CB 4.4Å; I145-V209 HydrophobicContact CG1-CG1 4.13Å; I145-V209 HydrophobicContact CG1-CG2 4.03Å; I145-V215 VanDerWaalsContact O-CA 3.26Å; I145-V215 WeakPolarHBondContact O-CA 3.32Å; I145-V215 VanDerWaalsContact O-CB 3.28Å; I145-V215 WeakPolarHBondContact O-CB 3.45Å; I145-A216 HydrophobicContact CD1-CB 4.24Å; I145-A216 HydrophobicContact CG1-CB 3.91Å; I145-A216 VanDerWaalsContact CG1-O 3.27Å; I145-A216 WeakPolarHBondContact CG1-O 3.45Å; I145-A216 PolarHBondContact N-O 3.26Å; I145-A216 PolarHBondContact O-N 2.95Å; I145-A216 VanDerWaalsContact O-N 3.11Å; I145-L218 HydrophobicContact CD1-CD2 3.82Å; I145-L218 HydrophobicContact CD1-CG 4.4Å; I145-L218 HydrophobicContact CG1-CD2 4.36Å; I145-L223 HydrophobicContact CG2-CD2 4.04Å; I145-V234 HydrophobicContact CB-CG1 3.6Å; I145-V234 HydrophobicContact CD1-CG1 3.9Å; I145-V234 HydrophobicContact CG1-CG1 4.31Å; I145-V234 HydrophobicContact CG2-CG1 3.99Å; I145-M235 WeakPolarHBondContact CA-O 3.48Å; I145-I236 HydrophobicContact CG2-CG1 4.34Å
146A98.2Very high96.4Very high0 Ų045.6 Ų45.60%026%0.255CS..EExtended strand (participates in β ladder)trans-138.4162.4178.400000111.7A148 V157 V215 V234 M235 L237A146-A148 PolarHBondContact O-N 2.97Å; A146-V157 HydrophobicContact CB-CG2 3.93Å; A146-V215 HydrophobicContact CB-CG1 3.94Å; A146-V234 WeakPolarHBondContact O-CA 3.49Å; A146-M235 HydrophobicContact CB-CG 4.28Å; A146-M235 PolarHBondContact N-O 2.82Å; A146-M235 PolarHBondContact O-N 3.11Å; A146-L237 HydrophobicContact CB-CD1 3.87Å; A146-L237 HydrophobicContact CB-CD2 4.11Å; A146-L237 HydrophobicContact CB-CG 3.9Å
147P98.4Very high96.4Very high1 Ų143.5 Ų43.51%0.00625%0.245CC..EExtended strand (participates in β ladder)trans-65.2130.2176.8-14.928.3000110.9V153 V209 G214P147-V153 HydrophobicContact CG-CB 4.2Å; P147-V153 HydrophobicContact CG-CG1 4.09Å; P147-V209 WeakPolarHBondContact CB-O 3.34Å; P147-V209 HydrophobicContact CG-CG1 4.36Å; P147-V209 VanDerWaalsContact CG-O 3.3Å; P147-V209 WeakPolarHBondContact CG-O 3.38Å; P147-G214 WeakPolarHBondContact CD-O 3.44Å
148A97.5Very high96.3Very high25 Ų2544.9 Ų44.921%0.20726%0.258CS..  trans-81.2-22.5174.800000112.4A146 R154 R233 M235A146-A148 PolarHBondContact O-N 2.97Å; A148-R154 WeakPolarHBondContact O-CD 3.44Å; A148-R154 PolarHBondContact O-NE 2.81Å; A148-R154 PolarHBondContact O-NH1 2.8Å; A148-R233 VanDerWaalsContact CB-C 3.5Å; A148-R233 PolarHBondContact N-O 2.98Å; A148-M235 HydrophobicContact CB-CB 4.31Å; A148-M235 HydrophobicContact CB-CG 4.44Å
149L92.4Very high96.3Very high80 Ų8044 Ų4442%0.41926%0.26SS..SBendtrans-78.4148.7177.5-64.3179.7000111.5C151 R154 R233L149-C151 PolarHBondContact O-N 3.37Å; L149-C151 VanDerWaalsContact O-N 3.12Å; L149-R154 WeakPolarHBondContact O-CD 3.42Å; L149-R233 HydrophobicContact CD1-CG 4.1Å; L149-R233 HydrophobicContact CG-CG 4.35Å
150P95.8Very high96Very high107 Ų10747.5 Ų47.570%0.69527%0.273SS*.SBendtrans-55.4117.9173.3-23.334.1000111.6
151C97.2Very high95.8Very high24 Ų2455.2 Ų55.216%0.16231%0.306CS..SBendtrans-158.2167.4175.871.70000110L149 V153 R154 N155L149-C151 PolarHBondContact O-N 3.37Å; L149-C151 VanDerWaalsContact O-N 3.12Å; C151-V153 VanDerWaalsContact C-N 3.28Å; C151-V153 PolarHBondContact O-N 3.16Å; C151-R154 PolarHBondContact O-N 3.13Å; C151-R154 VanDerWaalsContact O-N 3.15Å; C151-R154 PolarHBondContact SG-N 3.24Å; C151-N155 PolarHBondContact O-N 3.18Å; C151-N155 VanDerWaalsContact O-N 3.08Å
152P97.7Very high95.7Very high102 Ų10253.5 Ų53.566%0.66229%0.29SS*.Hα-helixtrans-53.8-43.3178-2836.4000113.3R154 N155 Q156P152-R154 PolarHBondContact O-N 3.2Å; P152-N155 WeakPolarHBondContact O-CB 3.31Å; P152-N155 PolarHBondContact O-N 2.83Å; P152-Q156 WeakPolarHBondContact O-CG 3.44Å; P152-Q156 PolarHBondContact O-N 2.99Å
153V98.1Very high95.7Very high9 Ų957.5 Ų57.56%0.05531%0.311CS..Hα-helixtrans-61.6-44.9178.4-178.60000111.3P147 C151 N155 Q156 V157 V167 P168 G212 V215P147-V153 HydrophobicContact CG-CB 4.2Å; P147-V153 HydrophobicContact CG-CG1 4.09Å; C151-V153 VanDerWaalsContact C-N 3.28Å; C151-V153 PolarHBondContact O-N 3.16Å; V153-N155 VanDerWaalsContact C-N 3.29Å; V153-N155 PolarHBondContact O-N 2.9Å; V153-Q156 PolarHBondContact O-N 3.05Å; V153-V157 WeakPolarHBondContact O-CG2 3.3Å; V153-V157 PolarHBondContact O-N 3.31Å; V153-V167 HydrophobicContact CG1-CG1 4.46Å; V153-P168 HydrophobicContact CG2-CG 3.49Å; V153-P168 VanDerWaalsContact CG2-CG 3.49Å; V153-G212 VanDerWaalsContact CG2-O 3.32Å; V153-G212 WeakPolarHBondContact CG2-O 3.39Å; V153-V215 HydrophobicContact CG1-CG1 4.01Å
154R97.4Very high95.7Very high82 Ų8258.7 Ų58.731%0.30932%0.315SS..Hα-helixtrans-58.3-42.5176.2-176.4175.6178.1-163.20.5111.2A148 L149 C151 P152 V157 S158A148-R154 WeakPolarHBondContact O-CD 3.44Å; A148-R154 PolarHBondContact O-NE 2.81Å; A148-R154 PolarHBondContact O-NH1 2.8Å; L149-R154 WeakPolarHBondContact O-CD 3.42Å; C151-R154 PolarHBondContact O-N 3.13Å; C151-R154 VanDerWaalsContact O-N 3.15Å; C151-R154 PolarHBondContact SG-N 3.24Å; P152-R154 PolarHBondContact O-N 3.2Å; R154-V157 WeakPolarHBondContact O-CG2 3.47Å; R154-V157 PolarHBondContact O-N 2.82Å; R154-S158 VanDerWaalsContact O-CB 3.31Å; R154-S158 WeakPolarHBondContact O-CB 3.34Å; R154-S158 PolarHBondContact O-N 2.91Å; R154-S158 PolarHBondContact O-OG 2.95Å
155N97Very high95.6Very high110 Ų11061.1 Ų61.159%0.58833%0.331SS*.Hα-helixtrans-64.6-42.8177.9-66.7-15.7000111.6C151 P152 V153 V157 S158C151-N155 PolarHBondContact O-N 3.18Å; C151-N155 VanDerWaalsContact O-N 3.08Å; P152-N155 WeakPolarHBondContact O-CB 3.31Å; P152-N155 PolarHBondContact O-N 2.83Å; V153-N155 VanDerWaalsContact C-N 3.29Å; V153-N155 PolarHBondContact O-N 2.9Å; N155-V157 VanDerWaalsContact C-N 3.33Å; N155-V157 PolarHBondContact O-N 3.37Å; N155-S158 PolarHBondContact O-N 3.41Å
156Q96.8Very high95.6Very high60 Ų6063.6 Ų63.628%0.2835%0.347SS..Hα-helixtrans-61.1-39.3178-70.2174.5-56.800112.4P152 V153 V159 P162 T166 V167P152-Q156 WeakPolarHBondContact O-CG 3.44Å; P152-Q156 PolarHBondContact O-N 2.99Å; V153-Q156 PolarHBondContact O-N 3.05Å; Q156-V159 WeakPolarHBondContact O-CG2 3.41Å; Q156-P162 WeakPolarHBondContact O-CB 3.15Å; Q156-T166 PolarHBondContact NE2-O 3.44Å; Q156-T166 PolarHBondContact NE2-OG1 2.74Å; Q156-V167 HydrophobicContact CB-CG2 4.01Å
157V95.9Very high95.6Very high1 Ų163.6 Ų63.61%0.00635%0.347CS..Hα-helixtrans-86.5-14.3-177.9-56.90000113.9A146 V153 R154 N155 W164 V167 V215 L237 R239A146-V157 HydrophobicContact CB-CG2 3.93Å; V153-V157 WeakPolarHBondContact O-CG2 3.3Å; V153-V157 PolarHBondContact O-N 3.31Å; R154-V157 WeakPolarHBondContact O-CG2 3.47Å; R154-V157 PolarHBondContact O-N 2.82Å; N155-V157 VanDerWaalsContact C-N 3.33Å; N155-V157 PolarHBondContact O-N 3.37Å; V157-W164 HydrophobicContact CG1-CH2 4.25Å; V157-W164 HydrophobicContact CG1-CZ3 4.01Å; V157-V167 HydrophobicContact CG1-CG1 3.88Å; V157-V167 HydrophobicContact CG1-CG2 4.24Å; V157-V215 HydrophobicContact CG1-CG1 3.81Å; V157-L237 HydrophobicContact CB-CD1 3.97Å; V157-L237 HydrophobicContact CG1-CD1 4.34Å; V157-L237 HydrophobicContact CG2-CD1 4.21Å; V157-L237 HydrophobicContact CG2-CD2 4.35Å; V157-R239 PolarHBondContact O-NH1 2.85Å; V157-R239 VanDerWaalsContact O-NH1 3.09Å
158S94.1Very high95.6Very high69 Ų6964.1 Ų64.148%0.48335%0.35SS..Hα-helixtrans-77.5-22.8-179-64.40000113.5R154 N155R154-S158 VanDerWaalsContact O-CB 3.31Å; R154-S158 WeakPolarHBondContact O-CB 3.34Å; R154-S158 PolarHBondContact O-N 2.91Å; R154-S158 PolarHBondContact O-OG 2.95Å; N155-S158 PolarHBondContact O-N 3.41Å
159V93.8Very high95.6Very high77 Ų7763 Ų6347%0.46734%0.34SS..SBendtrans-67157.6175.7-56.30000111.2Q156 K161 P162 R239Q156-V159 WeakPolarHBondContact O-CG2 3.41Å; V159-K161 VanDerWaalsContact C-N 3.34Å; V159-K161 PolarHBondContact O-N 2.93Å; V159-P162 HydrophobicContact CG2-CB 4.41Å; V159-P162 HydrophobicContact CG2-CG 4.22Å; V159-P162 WeakPolarHBondContact O-CD 3.49Å; V159-R239 VanDerWaalsContact O-CZ 3.32Å; V159-R239 PolarHBondContact O-NH1 2.92Å; V159-R239 PolarHBondContact O-NH2 3.12Å; V159-R239 VanDerWaalsContact O-NH2 3.09Å
160E90.3Very high95.9Very high164 Ų16459.1 Ų59.177%0.76632%0.321SS*.SBendtrans-58.8-42.1-176.2-169.8-172.4159.200113.2
161K90.6Very high96Very high177 Ų17754.4 Ų54.477%0.7729%0.289SS*.SBendtrans-126.186.9178-66179.8-176.6174.40109.9V159V159-K161 VanDerWaalsContact C-N 3.34Å; V159-K161 PolarHBondContact O-N 2.93Å
162P93.7Very high96Very high13 Ų1353.4 Ų53.48%0.08428%0.283CS..  trans-58.6139.4175.9-25.536.8000110.8Q156 V159 W164 V167Q156-P162 WeakPolarHBondContact O-CB 3.15Å; V159-P162 HydrophobicContact CG2-CB 4.41Å; V159-P162 HydrophobicContact CG2-CG 4.22Å; V159-P162 WeakPolarHBondContact O-CD 3.49Å; P162-W164 VanDerWaalsContact C-N 3.27Å; P162-W164 HydrophobicContact CB-CD2 4.09Å; P162-W164 HydrophobicContact CB-CZ2 4.15Å; P162-W164 HydrophobicContact CG-CH2 4.41Å; P162-W164 HydrophobicContact CG-CZ2 3.92Å; P162-W164 PolarHBondContact O-N 3.43Å; P162-V167 HydrophobicContact CB-CG2 4.44Å
163D95.1Very high96Very high95 Ų9552.7 Ų52.751%0.50827%0.273SS..  trans-76.886.3164.5-177.7-1000108.9S165 T166 V167D163-S165 PolarHBondContact O-N 3.04Å; D163-S165 VanDerWaalsContact O-N 3.08Å; D163-S165 WeakPolarHBondContact OD1-CB 3.29Å; D163-S165 PolarHBondContact OD1-N 2.92Å; D163-S165 VanDerWaalsContact OD1-N 3.15Å; D163-S165 PolarHBondContact OD1-OG 3.02Å; D163-S165 PolarHBondContact OD2-OG 2.86Å; D163-T166 HydrophobicContact CB-CG2 4.46Å; D163-T166 PolarHBondContact O-N 3.23Å; D163-T166 PolarHBondContact O-OG1 3.38Å; D163-T166 WeakPolarHBondContact OD2-CG2 3.45Å; D163-V167 PolarHBondContact O-N 3.13Å
164W95Very high95.8Very high36 Ų3656 Ų5614%0.13629%0.288CS..THydrogen-bonded Turntrans-60.1-17.1-177.8-65.3112.6000114.3L144 V157 P162 T166 V167 F169 W184 I190 V215 L237L144-W164 HydrophobicContact CD2-CH2 3.59Å; L144-W164 HydrophobicContact CD2-CZ2 4.26Å; L144-W164 HydrophobicContact CD2-CZ3 4.1Å; V157-W164 HydrophobicContact CG1-CH2 4.25Å; V157-W164 HydrophobicContact CG1-CZ3 4.01Å; P162-W164 VanDerWaalsContact C-N 3.27Å; P162-W164 HydrophobicContact CB-CD2 4.09Å; P162-W164 HydrophobicContact CB-CZ2 4.15Å; P162-W164 HydrophobicContact CG-CH2 4.41Å; P162-W164 HydrophobicContact CG-CZ2 3.92Å; P162-W164 PolarHBondContact O-N 3.43Å; W164-T166 PolarHBondContact O-N 2.89Å; W164-V167 HydrophobicContact CE3-CB 4.04Å; W164-V167 HydrophobicContact CE3-CG1 4.18Å; W164-V167 HydrophobicContact CE3-CG2 3.98Å; W164-V167 HydrophobicContact CZ3-CG1 4.19Å; W164-V167 HydrophobicContact CZ3-CG2 4.44Å; W164-F169 HydrophobicContact CE3-CE2 4.02Å; W164-F169 AromaticContact CE3-CZ 3.94Å; W164-F169 HydrophobicContact CE3-CZ 3.94Å; W164-F169 HydrophobicContact CZ3-CZ 4.25Å; W164-W184 HydrophobicContact CB-CH2 4.35Å; W164-W184 AromaticContact CD2-CH2 3.65Å; W164-W184 HydrophobicContact CD2-CH2 3.65Å; W164-W184 HydrophobicContact CD2-CZ2 4.45Å; W164-W184 AromaticContact CE2-CH2 3.96Å; W164-W184 AromaticContact CE3-CH2 3.91Å; W164-W184 HydrophobicContact CE3-CH2 3.91Å; W164-W184 AromaticContact CG-CH2 3.85Å; W164-W184 HydrophobicContact CG-CH2 3.85Å; W164-W184 HydrophobicContact CZ3-CH2 4.45Å; W164-I190 HydrophobicContact CB-CD1 3.4Å; W164-I190 VanDerWaalsContact CB-CD1 3.4Å; W164-I190 HydrophobicContact CB-CG1 4.16Å; W164-I190 HydrophobicContact CG-CD1 4.31Å; W164-V215 HydrophobicContact CZ3-CG2 4.41Å; W164-L237 HydrophobicContact CH2-CD1 4.01Å
165S95.3Very high95.6Very high51 Ų5153.7 Ų53.736%0.35729%0.29SS..THydrogen-bonded Turntrans-69-21.6172.774.90000112.6D163D163-S165 PolarHBondContact O-N 3.04Å; D163-S165 VanDerWaalsContact O-N 3.08Å; D163-S165 WeakPolarHBondContact OD1-CB 3.29Å; D163-S165 PolarHBondContact OD1-N 2.92Å; D163-S165 VanDerWaalsContact OD1-N 3.15Å; D163-S165 PolarHBondContact OD1-OG 3.02Å; D163-S165 PolarHBondContact OD2-OG 2.86Å
166T96.8Very high95.4Very high53 Ų5350.9 Ų50.933%0.32528%0.277SS..THydrogen-bonded Turntrans-105.6-8.3-179.470.60000113.9Q156 D163 W164Q156-T166 PolarHBondContact NE2-O 3.44Å; Q156-T166 PolarHBondContact NE2-OG1 2.74Å; D163-T166 HydrophobicContact CB-CG2 4.46Å; D163-T166 PolarHBondContact O-N 3.23Å; D163-T166 PolarHBondContact O-OG1 3.38Å; D163-T166 WeakPolarHBondContact OD2-CG2 3.45Å; W164-T166 PolarHBondContact O-N 2.89Å
167V97.8Very high95.3Very high0 Ų048.3 Ų48.30%027%0.266CS..SBendtrans-80.7124.5177.8178.40000108.5V153 Q156 V157 P162 D163 W164 F169 V215V153-V167 HydrophobicContact CG1-CG1 4.46Å; Q156-V167 HydrophobicContact CB-CG2 4.01Å; V157-V167 HydrophobicContact CG1-CG1 3.88Å; V157-V167 HydrophobicContact CG1-CG2 4.24Å; P162-V167 HydrophobicContact CB-CG2 4.44Å; D163-V167 PolarHBondContact O-N 3.13Å; W164-V167 HydrophobicContact CE3-CB 4.04Å; W164-V167 HydrophobicContact CE3-CG1 4.18Å; W164-V167 HydrophobicContact CE3-CG2 3.98Å; W164-V167 HydrophobicContact CZ3-CG1 4.19Å; W164-V167 HydrophobicContact CZ3-CG2 4.44Å; V167-F169 HydrophobicContact CB-CE2 4.4Å; V167-F169 HydrophobicContact CG1-CE2 4.39Å; V167-F169 WeakPolarHBondContact O-CD2 3.39Å; V167-F169 PolarHBondContact O-N 2.95Å; V167-V215 HydrophobicContact CG1-CG1 3.91Å; V167-V215 HydrophobicContact CG1-CG2 3.79Å
168P98.5Very high95.3Very high12 Ų1251.9 Ų51.98%0.07828%0.279CS..  trans-69.3131.5177.221.7-27000111.7V153 M194 C213 G214 V215V153-P168 HydrophobicContact CG2-CG 3.49Å; V153-P168 VanDerWaalsContact CG2-CG 3.49Å; P168-M194 CarbonylContact C-O 3.43Å; P168-M194 VanDerWaalsContact CA-O 3.31Å; P168-M194 WeakPolarHBondContact CA-O 3.22Å; P168-M194 HydrophobicContact CB-CG 4.27Å; P168-M194 HydrophobicContact CB-SD 4.12Å; P168-C213 WeakPolarHBondContact CB-O 3.32Å; P168-C213 WeakPolarHBondContact CG-O 3.29Å; P168-G214 CarbonylContact O-C 3.5Å; P168-G214 WeakPolarHBondContact O-CA 3.38Å; P168-V215 PolarHBondContact O-N 3.48Å
169F98.5Very high95.3Very high0 Ų053.3 Ų53.30%027%0.274CS..EExtended strand (participates in β ladder)trans-104.9144.3175.1-84.7-103.2000111.9L144 W164 V167 I181 W184 F185 M194 I195 Y196 V215L144-F169 HydrophobicContact CD1-CE1 4.23Å; W164-F169 HydrophobicContact CE3-CE2 4.02Å; W164-F169 AromaticContact CE3-CZ 3.94Å; W164-F169 HydrophobicContact CE3-CZ 3.94Å; W164-F169 HydrophobicContact CZ3-CZ 4.25Å; V167-F169 HydrophobicContact CB-CE2 4.4Å; V167-F169 HydrophobicContact CG1-CE2 4.39Å; V167-F169 WeakPolarHBondContact O-CD2 3.39Å; V167-F169 PolarHBondContact O-N 2.95Å; F169-I181 HydrophobicContact CD1-CG2 4.26Å; F169-W184 HydrophobicContact CE1-CE3 4.21Å; F169-W184 AromaticContact CE1-CZ3 3.94Å; F169-W184 HydrophobicContact CE1-CZ3 3.94Å; F169-W184 HydrophobicContact CE2-CZ3 4.15Å; F169-W184 HydrophobicContact CZ-CE3 4.07Å; F169-W184 AromaticContact CZ-CH2 3.85Å; F169-W184 HydrophobicContact CZ-CH2 3.85Å; F169-W184 AromaticContact CZ-CZ3 3.34Å; F169-W184 HydrophobicContact CZ-CZ3 3.34Å; F169-F185 HydrophobicContact CB-CZ 3.95Å; F169-F185 AromaticContact CD1-CE1 3.71Å; F169-F185 HydrophobicContact CD1-CE1 3.71Å; F169-F185 AromaticContact CD1-CZ 3.72Å; F169-F185 HydrophobicContact CD1-CZ 3.72Å; F169-F185 AromaticContact CD2-CE1 3.7Å; F169-F185 HydrophobicContact CD2-CE1 3.7Å; F169-F185 AromaticContact CD2-CZ 3.97Å; F169-F185 HydrophobicContact CD2-CZ 3.97Å; F169-F185 AromaticContact CE1-CE1 3.74Å; F169-F185 HydrophobicContact CE1-CE1 3.74Å; F169-F185 HydrophobicContact CE1-CZ 4.22Å; F169-F185 AromaticContact CE2-CE1 3.74Å; F169-F185 HydrophobicContact CE2-CE1 3.74Å; F169-F185 HydrophobicContact CE2-CZ 4.46Å; F169-F185 AromaticContact CG-CE1 3.7Å; F169-F185 HydrophobicContact CG-CE1 3.7Å; F169-F185 AromaticContact CG-CZ 3.6Å; F169-F185 HydrophobicContact CG-CZ 3.6Å; F169-F185 AromaticContact CZ-CE1 3.78Å; F169-F185 HydrophobicContact CZ-CE1 3.78Å; F169-M194 PolarHBondContact N-O 2.93Å; F169-I195 HydrophobicContact CB-CD1 3.93Å; F169-Y196 PolarHBondContact O-N 2.63Å; F169-V215 CarbonylContact C-O 3.52Å; F169-V215 WeakPolarHBondContact CA-O 3.02Å; F169-V215 HydrophobicContact CD1-CG2 3.69Å; F169-V215 HydrophobicContact CD2-CG2 3.82Å; F169-V215 HydrophobicContact CE1-CG2 3.52Å; F169-V215 HydrophobicContact CE2-CG2 3.64Å; F169-V215 HydrophobicContact CG-CG2 3.82Å; F169-V215 HydrophobicContact CZ-CG2 3.47Å; F169-V215 VanDerWaalsContact CZ-CG2 3.47Å
170I98.7Very high95.3Very high0 Ų051 Ų510%026%0.257CS..EExtended strand (participates in β ladder)trans-99.4121.3166.5-46.8-58.2000107.8Y196 A197 V199 M205 M208 V209 C213 V215 A216I170-Y196 HydrophobicContact CD1-CD1 3.91Å; I170-Y196 HydrophobicContact CD1-CG 4.35Å; I170-A197 WeakPolarHBondContact CA-O 3.49Å; I170-A197 HydrophobicContact CD1-CB 4.2Å; I170-V199 HydrophobicContact CG2-CG1 4.48Å; I170-V199 HydrophobicContact CG2-CG2 4.1Å; I170-M205 HydrophobicContact CG2-CB 4.31Å; I170-M205 HydrophobicContact CG2-CG 4.27Å; I170-M208 HydrophobicContact CB-CB 4.49Å; I170-M208 HydrophobicContact CD1-CB 3.79Å; I170-M208 HydrophobicContact CG1-CB 3.79Å; I170-M208 HydrophobicContact CG2-CB 3.95Å; I170-M208 HydrophobicContact CG2-CG 4.23Å; I170-V209 HydrophobicContact CG1-CG2 4.17Å; I170-C213 HydrophobicContact CD1-CB 4.05Å; I170-V215 PolarHBondContact N-O 2.93Å; I170-A216 HydrophobicContact CB-CB 4.26Å
171M98.1Very high95.5Very high8 Ų843.2 Ų43.24%0.03922%0.221CC..EExtended strand (participates in β ladder)trans-99.8142.6-176.9-62.4-66.7-66.200110.8R178 I181 E182 F185 I195 A197 T198 V199M171-R178 HydrophobicContact CE-CG 4.08Å; M171-I181 HydrophobicContact CE-CB 4.02Å; M171-I181 HydrophobicContact CE-CD1 4.48Å; M171-I181 HydrophobicContact CE-CG2 3.81Å; M171-I181 HydrophobicContact SD-CB 4.12Å; M171-I181 HydrophobicContact SD-CD1 4.16Å; M171-I181 HydrophobicContact SD-CG2 3.4Å; M171-I181 WeakPolarHBondContact SD-CG2 3.37Å; M171-E182 HydrophobicContact CE-CG 4.26Å; M171-F185 HydrophobicContact CE-CE2 4.26Å; M171-F185 HydrophobicContact SD-CE2 3.87Å; M171-F185 HydrophobicContact SD-CZ 4.09Å; M171-I195 HydrophobicContact CB-CG2 4.39Å; M171-I195 HydrophobicContact CG-CB 4.48Å; M171-I195 HydrophobicContact CG-CD1 3.65Å; M171-I195 HydrophobicContact CG-CG1 4.15Å; M171-I195 HydrophobicContact CG-CG2 3.58Å; M171-I195 HydrophobicContact SD-CD1 3.73Å; M171-A197 PolarHBondContact N-O 3.09Å; M171-T198 HydrophobicContact CB-CG2 4.37Å; M171-T198 CarbonylContact O-C 3.59Å; M171-T198 WeakPolarHBondContact O-CA 3.39Å; M171-V199 PolarHBondContact O-N 3.31Å
172A97.5Very high95.8Very high3 Ų337.7 Ų37.73%0.02520%0.197CC..EExtended strand (participates in β ladder)trans-67144.1156.700000109Q174 V177 R178 V199 M205A172-Q174 VanDerWaalsContact C-N 3.31Å; A172-Q174 PolarHBondContact O-N 3.13Å; A172-V177 HydrophobicContact CB-CB 4.23Å; A172-V177 HydrophobicContact CB-CG1 4.07Å; A172-R178 HydrophobicContact CB-CB 4.15Å; A172-R178 WeakPolarHBondContact O-CB 3.38Å; A172-R178 WeakPolarHBondContact O-CD 3.33Å; A172-V199 CarbonylContact C-O 3.49Å; A172-V199 WeakPolarHBondContact CA-O 3.44Å; A172-M205 HydrophobicContact CB-SD 3.9Å
173D96.5Very high95.7Very high86 Ų8638.9 Ų38.946%0.4620%0.203SC..SBendtrans-65.5-36.2-179.9-168.843.6000112.5R178 T198 V199D173-R178 WeakPolarHBondContact O-CD 3.34Å; D173-R178 PolarHBondContact O-NH1 2.97Å; D173-T198 VanDerWaalsContact CA-CG2 3.44Å; D173-T198 HydrophobicContact CB-CG2 3.9Å; D173-T198 VanDerWaalsContact OD1-CG2 3.31Å; D173-T198 WeakPolarHBondContact OD1-CG2 3.35Å; D173-V199 PolarHBondContact N-O 2.97Å
174Q94.9Very high95.7Very high80 Ų8034.6 Ų34.637%0.37418%0.18SC..SBendtrans-153.9-176.8-176.651.5173.4-0.800112.1A106 D107 A172A106-Q174 HydrophobicContact CB-CG 3.74Å; D107-Q174 PolarHBondContact OD1-NE2 2.83Å; A172-Q174 VanDerWaalsContact C-N 3.31Å; A172-Q174 PolarHBondContact O-N 3.13Å
175G93.1Very high95.7Very high33 Ų3333.4 Ų33.434%0.3418%0.176SC..Hα-helixtrans77.9-171.8170.100000116.4V177 R178 R179G175-V177 VanDerWaalsContact C-N 3.31Å; G175-V177 PolarHBondContact O-N 2.84Å; G175-R178 PolarHBondContact O-N 3.24Å; G175-R179 PolarHBondContact O-N 3.47Å; G175-R179 VanDerWaalsContact O-N 3.16Å
176P92.8Very high95.7Very high50 Ų5039.8 Ų39.833%0.32519%0.192SC..Hα-helixtrans-60.4-33.8-171.9-26.835.7000114.6R179 R180 F246P176-R179 PolarHBondContact O-N 2.84Å; P176-R180 WeakPolarHBondContact O-CB 3.35Å; P176-R180 PolarHBondContact O-N 2.81Å; P176-F246 HydrophobicContact CB-CD1 4.09Å; P176-F246 HydrophobicContact CB-CE1 3.6Å; P176-F246 HydrophobicContact CB-CZ 4.44Å
177V94.8Very high95.5Very high7 Ų743.3 Ų43.34%0.04220%0.199CC..Hα-helixtrans-67.8-45.5178.3173.40000111.3A172 G175 R179 R180 I181 H202 M205 L217 P219 F246A172-V177 HydrophobicContact CB-CB 4.23Å; A172-V177 HydrophobicContact CB-CG1 4.07Å; G175-V177 VanDerWaalsContact C-N 3.31Å; G175-V177 PolarHBondContact O-N 2.84Å; V177-R179 VanDerWaalsContact C-N 3.33Å; V177-R179 PolarHBondContact O-N 3.22Å; V177-R180 WeakPolarHBondContact O-CB 3.33Å; V177-R180 PolarHBondContact O-N 2.96Å; V177-R180 VanDerWaalsContact O-N 3.14Å; V177-I181 HydrophobicContact CG1-CD1 4.16Å; V177-I181 WeakPolarHBondContact O-CG1 3.36Å; V177-I181 PolarHBondContact O-N 3.39Å; V177-H202 VanDerWaalsContact CG2-CE1 3.45Å; V177-H202 WeakPolarHBondContact CG2-CE1 3.36Å; V177-H202 WeakPolarHBondContact CG2-NE2 3.44Å; V177-M205 HydrophobicContact CG1-CE 4.05Å; V177-M205 HydrophobicContact CG1-SD 4.28Å; V177-L217 VanDerWaalsContact CG1-O 3.29Å; V177-L217 WeakPolarHBondContact CG1-O 3.49Å; V177-P219 HydrophobicContact CG2-CG 4.23Å; V177-F246 HydrophobicContact CG2-CE2 3.84Å; V177-F246 HydrophobicContact CG2-CZ 3.9Å
178R96Very high95.2Very high76 Ų7646.2 Ų46.229%0.28722%0.215SC..Hα-helixtrans-55.9-50.6173.7179.2172.4-1761323111M171 A172 D173 G175 R180 I181 E182M171-R178 HydrophobicContact CE-CG 4.08Å; A172-R178 HydrophobicContact CB-CB 4.15Å; A172-R178 WeakPolarHBondContact O-CB 3.38Å; A172-R178 WeakPolarHBondContact O-CD 3.33Å; D173-R178 WeakPolarHBondContact O-CD 3.34Å; D173-R178 PolarHBondContact O-NH1 2.97Å; G175-R178 PolarHBondContact O-N 3.24Å; R178-R180 PolarHBondContact O-N 3.09Å; R178-I181 PolarHBondContact O-N 3.37Å; R178-I181 VanDerWaalsContact O-N 3.15Å; R178-E182 IonicContact NE-OE1 3.79Å; R178-E182 PolarHBondContact NE-OE1 3.44Å; R178-E182 WeakPolarHBondContact O-CG 3.48Å; R178-E182 PolarHBondContact O-N 3.43Å
179R94.2Very high95.1Very high99 Ų9954.7 Ų54.737%0.37425%0.25SS..Hα-helixtrans-58.1-39.3179.1-179.355.3177.2173.4-3.2111.7G175 P176 V177 E182 L183G175-R179 PolarHBondContact O-N 3.47Å; G175-R179 VanDerWaalsContact O-N 3.16Å; P176-R179 PolarHBondContact O-N 2.84Å; V177-R179 VanDerWaalsContact C-N 3.33Å; V177-R179 PolarHBondContact O-N 3.22Å; R179-E182 IonicContact NH1-OE2 3.66Å; R179-E182 PolarHBondContact O-N 2.89Å; R179-L183 HydrophobicContact CG-CD1 4.33Å; R179-L183 WeakPolarHBondContact O-CG 3.49Å; R179-L183 PolarHBondContact O-N 3.04Å
180R93Very high94.9Very high28 Ų2855.6 Ų55.611%0.10626%0.255CS..Hα-helixtrans-64.1-42.8177.8-170.965.469.6858.9112.3P176 V177 R178 L183 W184 L217 E242 T244 P245 F246P176-R180 WeakPolarHBondContact O-CB 3.35Å; P176-R180 PolarHBondContact O-N 2.81Å; V177-R180 WeakPolarHBondContact O-CB 3.33Å; V177-R180 PolarHBondContact O-N 2.96Å; V177-R180 VanDerWaalsContact O-N 3.14Å; R178-R180 PolarHBondContact O-N 3.09Å; R180-L183 PolarHBondContact O-N 3.44Å; R180-W184 WeakPolarHBondContact O-CB 3.13Å; R180-W184 PolarHBondContact O-N 2.82Å; R180-L217 HydrophobicContact CB-CD2 4.5Å; R180-L217 HydrophobicContact CG-CD2 3.73Å; R180-E242 IonicContact CZ-OE1 3.44Å; R180-E242 IonicContact NE-OE1 2.71Å; R180-E242 IonicContact NH1-OE1 3.23Å; R180-E242 PolarHBondContact NH1-OE1 2.96Å; R180-T244 PolarHBondContact NH1-O 3.49Å; R180-P245 PolarHBondContact NH2-O 2.79Å; R180-F246 HydrophobicContact CB-CE1 4.37Å; R180-F246 HydrophobicContact CB-CZ 3.68Å; R180-F246 HydrophobicContact CG-CZ 4.02Å
181I95.3Very high94.7Very high1 Ų161.4 Ų61.41%0.00530%0.296CS..Hα-helixtrans-62.2-44.2175.7-63.7159.3000110.8F169 M171 V177 R178 L183 W184 F185 M205 L217F169-I181 HydrophobicContact CD1-CG2 4.26Å; M171-I181 HydrophobicContact CE-CB 4.02Å; M171-I181 HydrophobicContact CE-CD1 4.48Å; M171-I181 HydrophobicContact CE-CG2 3.81Å; M171-I181 HydrophobicContact SD-CB 4.12Å; M171-I181 HydrophobicContact SD-CD1 4.16Å; M171-I181 HydrophobicContact SD-CG2 3.4Å; M171-I181 WeakPolarHBondContact SD-CG2 3.37Å; V177-I181 HydrophobicContact CG1-CD1 4.16Å; V177-I181 WeakPolarHBondContact O-CG1 3.36Å; V177-I181 PolarHBondContact O-N 3.39Å; R178-I181 PolarHBondContact O-N 3.37Å; R178-I181 VanDerWaalsContact O-N 3.15Å; I181-L183 VanDerWaalsContact C-N 3.33Å; I181-L183 PolarHBondContact O-N 3.31Å; I181-W184 WeakPolarHBondContact O-CB 3.18Å; I181-W184 PolarHBondContact O-N 3.06Å; I181-W184 VanDerWaalsContact O-N 3.12Å; I181-F185 HydrophobicContact CG2-CD2 4.16Å; I181-F185 HydrophobicContact CG2-CE1 4.08Å; I181-F185 HydrophobicContact CG2-CE2 3.51Å; I181-F185 HydrophobicContact CG2-CZ 3.45Å; I181-F185 VanDerWaalsContact CG2-CZ 3.45Å; I181-F185 WeakPolarHBondContact O-CG 3.27Å; I181-F185 PolarHBondContact O-N 3.36Å; I181-M205 HydrophobicContact CD1-CE 3.97Å; I181-L217 HydrophobicContact CG1-CB 3.76Å; I181-L217 HydrophobicContact CG1-CD2 4.36Å
182E95.7Very high94.6Very high60 Ų6067.4 Ų67.428%0.2833%0.328SS..Hα-helixtrans-61.3-40.5177.2-69.1172.7178.700112.6M171 R178 R179 W184 F185 R186M171-E182 HydrophobicContact CE-CG 4.26Å; R178-E182 IonicContact NE-OE1 3.79Å; R178-E182 PolarHBondContact NE-OE1 3.44Å; R178-E182 WeakPolarHBondContact O-CG 3.48Å; R178-E182 PolarHBondContact O-N 3.43Å; R179-E182 IonicContact NH1-OE2 3.66Å; R179-E182 PolarHBondContact O-N 2.89Å; E182-W184 VanDerWaalsContact C-N 3.34Å; E182-F185 PolarHBondContact O-N 2.87Å; E182-R186 WeakPolarHBondContact O-CG 3.36Å; E182-R186 PolarHBondContact O-N 2.87Å; E182-R186 VanDerWaalsContact O-N 3.12Å
183L93.3Very high94.6Very high38 Ų3868.8 Ų68.820%0.19934%0.337CS..Hα-helixtrans-65.7-39173.8-71.6174.6000111.5R179 R180 I181 R186 R187R179-L183 HydrophobicContact CG-CD1 4.33Å; R179-L183 WeakPolarHBondContact O-CG 3.49Å; R179-L183 PolarHBondContact O-N 3.04Å; R180-L183 PolarHBondContact O-N 3.44Å; I181-L183 VanDerWaalsContact C-N 3.33Å; I181-L183 PolarHBondContact O-N 3.31Å; L183-R186 PolarHBondContact O-N 3.07Å; L183-R187 WeakPolarHBondContact O-CG 3.36Å; L183-R187 PolarHBondContact O-N 3.15Å
184W94.2Very high94.7Very high5 Ų569.2 Ų69.22%0.01934%0.337CS..Hα-helixtrans-61.7-42.6175.4-173.588.2000111.7W164 F169 R180 I181 E182 R186 R187 N188 I190 L217 D241W164-W184 HydrophobicContact CB-CH2 4.35Å; W164-W184 AromaticContact CD2-CH2 3.65Å; W164-W184 HydrophobicContact CD2-CH2 3.65Å; W164-W184 HydrophobicContact CD2-CZ2 4.45Å; W164-W184 AromaticContact CE2-CH2 3.96Å; W164-W184 AromaticContact CE3-CH2 3.91Å; W164-W184 HydrophobicContact CE3-CH2 3.91Å; W164-W184 AromaticContact CG-CH2 3.85Å; W164-W184 HydrophobicContact CG-CH2 3.85Å; W164-W184 HydrophobicContact CZ3-CH2 4.45Å; F169-W184 HydrophobicContact CE1-CE3 4.21Å; F169-W184 AromaticContact CE1-CZ3 3.94Å; F169-W184 HydrophobicContact CE1-CZ3 3.94Å; F169-W184 HydrophobicContact CE2-CZ3 4.15Å; F169-W184 HydrophobicContact CZ-CE3 4.07Å; F169-W184 AromaticContact CZ-CH2 3.85Å; F169-W184 HydrophobicContact CZ-CH2 3.85Å; F169-W184 AromaticContact CZ-CZ3 3.34Å; F169-W184 HydrophobicContact CZ-CZ3 3.34Å; R180-W184 WeakPolarHBondContact O-CB 3.13Å; R180-W184 PolarHBondContact O-N 2.82Å; I181-W184 WeakPolarHBondContact O-CB 3.18Å; I181-W184 PolarHBondContact O-N 3.06Å; I181-W184 VanDerWaalsContact O-N 3.12Å; E182-W184 VanDerWaalsContact C-N 3.34Å; W184-R186 PolarHBondContact O-N 3.46Å; W184-R187 PolarHBondContact O-N 2.78Å; W184-N188 PolarHBondContact NE1-ND2 3.07Å; W184-N188 WeakPolarHBondContact O-CB 3.4Å; W184-N188 PolarHBondContact O-N 3.21Å; W184-N188 PolarHBondContact O-ND2 2.75Å; W184-I190 HydrophobicContact CE3-CD1 4.41Å; W184-I190 HydrophobicContact CH2-CD1 4.19Å; W184-I190 HydrophobicContact CZ3-CD1 3.63Å; W184-L217 HydrophobicContact CB-CD2 4.27Å; W184-L217 HydrophobicContact CG-CD2 4.47Å; W184-D241 PolarHBondContact NE1-OD1 3.07Å
185F95.5Very high94.8Very high12 Ų1268.7 Ų68.75%0.05334%0.336CS..Hα-helixtrans-59-45.7172.5-65.1-35.7000112.4F169 M171 I181 E182 N188 K189 I190 P193 I195F169-F185 HydrophobicContact CB-CZ 3.95Å; F169-F185 AromaticContact CD1-CE1 3.71Å; F169-F185 HydrophobicContact CD1-CE1 3.71Å; F169-F185 AromaticContact CD1-CZ 3.72Å; F169-F185 HydrophobicContact CD1-CZ 3.72Å; F169-F185 AromaticContact CD2-CE1 3.7Å; F169-F185 HydrophobicContact CD2-CE1 3.7Å; F169-F185 AromaticContact CD2-CZ 3.97Å; F169-F185 HydrophobicContact CD2-CZ 3.97Å; F169-F185 AromaticContact CE1-CE1 3.74Å; F169-F185 HydrophobicContact CE1-CE1 3.74Å; F169-F185 HydrophobicContact CE1-CZ 4.22Å; F169-F185 AromaticContact CE2-CE1 3.74Å; F169-F185 HydrophobicContact CE2-CE1 3.74Å; F169-F185 HydrophobicContact CE2-CZ 4.46Å; F169-F185 AromaticContact CG-CE1 3.7Å; F169-F185 HydrophobicContact CG-CE1 3.7Å; F169-F185 AromaticContact CG-CZ 3.6Å; F169-F185 HydrophobicContact CG-CZ 3.6Å; F169-F185 AromaticContact CZ-CE1 3.78Å; F169-F185 HydrophobicContact CZ-CE1 3.78Å; M171-F185 HydrophobicContact CE-CE2 4.26Å; M171-F185 HydrophobicContact SD-CE2 3.87Å; M171-F185 HydrophobicContact SD-CZ 4.09Å; I181-F185 HydrophobicContact CG2-CD2 4.16Å; I181-F185 HydrophobicContact CG2-CE1 4.08Å; I181-F185 HydrophobicContact CG2-CE2 3.51Å; I181-F185 HydrophobicContact CG2-CZ 3.45Å; I181-F185 VanDerWaalsContact CG2-CZ 3.45Å; I181-F185 WeakPolarHBondContact O-CG 3.27Å; I181-F185 PolarHBondContact O-N 3.36Å; E182-F185 PolarHBondContact O-N 2.87Å; F185-N188 CarbonylContact O-C 3.57Å; F185-N188 PolarHBondContact O-N 3.14Å; F185-K189 PolarHBondContact O-N 2.93Å; F185-I190 HydrophobicContact CB-CB 4.25Å; F185-I190 HydrophobicContact CD1-CB 4.43Å; F185-I190 HydrophobicContact CD1-CD1 3.95Å; F185-I190 PolarHBondContact O-N 3.36Å; F185-P193 HydrophobicContact CD1-CB 4.06Å; F185-P193 HydrophobicContact CD2-CB 3.95Å; F185-P193 HydrophobicContact CD2-CG 3.76Å; F185-P193 HydrophobicContact CE1-CB 3.85Å; F185-P193 HydrophobicContact CE2-CB 3.71Å; F185-P193 HydrophobicContact CE2-CG 3.74Å; F185-P193 HydrophobicContact CG-CB 4.13Å; F185-P193 HydrophobicContact CG-CG 4.25Å; F185-P193 HydrophobicContact CZ-CB 3.67Å; F185-P193 HydrophobicContact CZ-CG 4.23Å; F185-I195 HydrophobicContact CE2-CD1 3.96Å; F185-I195 HydrophobicContact CZ-CD1 3.95Å
186R95Very high95.1Very high184 Ų18473.8 Ų73.869%0.69435%0.346SS*.Hα-helixtrans-61.8-44.8178.4-72.1179-178.3-125.30.8112.1E182 L183 W184 N188 K189E182-R186 WeakPolarHBondContact O-CG 3.36Å; E182-R186 PolarHBondContact O-N 2.87Å; E182-R186 VanDerWaalsContact O-N 3.12Å; L183-R186 PolarHBondContact O-N 3.07Å; W184-R186 PolarHBondContact O-N 3.46Å; R186-N188 VanDerWaalsContact C-N 3.28Å; R186-N188 PolarHBondContact O-N 2.86Å; R186-K189 PolarHBondContact O-N 2.68Å; R186-K189 VanDerWaalsContact O-N 3.1Å
187R92.5Very high95.4Very high127 Ų12772.4 Ų72.448%0.47934%0.339SS..Hα-helixtrans-60.5-39.4176.8-72.6174.6-173.5163.13.1111.7L183 W184 K189 E242L183-R187 WeakPolarHBondContact O-CG 3.36Å; L183-R187 PolarHBondContact O-N 3.15Å; W184-R187 PolarHBondContact O-N 2.78Å; R187-K189 VanDerWaalsContact C-N 3.27Å; R187-K189 PolarHBondContact O-N 3.48Å; R187-E242 IonicContact CZ-OE2 3.93Å; R187-E242 IonicContact NH1-OE1 3.46Å; R187-E242 PolarHBondContact NH1-OE1 2.91Å; R187-E242 IonicContact NH1-OE2 2.73Å; R187-E242 PolarHBondContact NH1-OE2 3.33Å
188N92.3Very high95.5Very high61 Ų6175.2 Ų75.233%0.32636%0.356SS..THydrogen-bonded Turntrans-85.26.9177.8-72.4-82000114W184 F185 R186 I190W184-N188 PolarHBondContact NE1-ND2 3.07Å; W184-N188 WeakPolarHBondContact O-CB 3.4Å; W184-N188 PolarHBondContact O-N 3.21Å; W184-N188 PolarHBondContact O-ND2 2.75Å; F185-N188 CarbonylContact O-C 3.57Å; F185-N188 PolarHBondContact O-N 3.14Å; R186-N188 VanDerWaalsContact C-N 3.28Å; R186-N188 PolarHBondContact O-N 2.86Å; N188-I190 HydrophobicContact CB-CD1 3.76Å; N188-I190 HydrophobicContact CB-CG1 4.08Å; N188-I190 PolarHBondContact O-N 2.79Å
189K94.7Very high95.6Very high190 Ų19072.9 Ų72.983%0.82635%0.351SS*.THydrogen-bonded Turntrans56.633179-54.6179.5-178.3177.40114F185 R186 R187 S191F185-K189 PolarHBondContact O-N 2.93Å; R186-K189 PolarHBondContact O-N 2.68Å; R186-K189 VanDerWaalsContact O-N 3.1Å; R187-K189 VanDerWaalsContact C-N 3.27Å; R187-K189 PolarHBondContact O-N 3.48Å; K189-S191 PolarHBondContact O-N 3.29Å
190I95.7Very high95.6Very high19 Ų1970.6 Ų70.610%0.09736%0.358CS..  trans-89.6102.5177.3-57.4160.2000108W164 W184 F185 N188 P193W164-I190 HydrophobicContact CB-CD1 3.4Å; W164-I190 VanDerWaalsContact CB-CD1 3.4Å; W164-I190 HydrophobicContact CB-CG1 4.16Å; W164-I190 HydrophobicContact CG-CD1 4.31Å; W184-I190 HydrophobicContact CE3-CD1 4.41Å; W184-I190 HydrophobicContact CH2-CD1 4.19Å; W184-I190 HydrophobicContact CZ3-CD1 3.63Å; F185-I190 HydrophobicContact CB-CB 4.25Å; F185-I190 HydrophobicContact CD1-CB 4.43Å; F185-I190 HydrophobicContact CD1-CD1 3.95Å; F185-I190 PolarHBondContact O-N 3.36Å; N188-I190 HydrophobicContact CB-CD1 3.76Å; N188-I190 HydrophobicContact CB-CG1 4.08Å; N188-I190 PolarHBondContact O-N 2.79Å; I190-P193 HydrophobicContact CG2-CB 3.82Å
191S94.4Very high95.5Very high123 Ų12370 Ų7086%0.8636%0.36SS*.SBendtrans-83.7-28.3-178.252.70000113.9K189K189-S191 PolarHBondContact O-N 3.29Å
192N95.8Very high95.6Very high133 Ų13370.8 Ų70.871%0.71136%0.364SS*.SBendtrans-130.873.8179.3-169.946.4000110.2
193P97Very high95.7Very high33 Ų3370.6 Ų70.621%0.21436%0.363CS..  trans-65.9140.1179.328.9-34.6000110.6F185 I190 I195F185-P193 HydrophobicContact CD1-CB 4.06Å; F185-P193 HydrophobicContact CD2-CB 3.95Å; F185-P193 HydrophobicContact CD2-CG 3.76Å; F185-P193 HydrophobicContact CE1-CB 3.85Å; F185-P193 HydrophobicContact CE2-CB 3.71Å; F185-P193 HydrophobicContact CE2-CG 3.74Å; F185-P193 HydrophobicContact CG-CB 4.13Å; F185-P193 HydrophobicContact CG-CG 4.25Å; F185-P193 HydrophobicContact CZ-CB 3.67Å; F185-P193 HydrophobicContact CZ-CG 4.23Å; I190-P193 HydrophobicContact CG2-CB 3.82Å; P193-I195 HydrophobicContact CB-CD1 4.08Å; P193-I195 HydrophobicContact CG-CD1 4.2Å; P193-I195 PolarHBondContact O-N 3Å
194M98.2Very high95.9Very high95 Ų9570.4 Ų70.447%0.46837%0.367SS..  trans-76.7106.3171.6-176.8178.5-70.400109.3P168 F169P168-M194 CarbonylContact C-O 3.43Å; P168-M194 VanDerWaalsContact CA-O 3.31Å; P168-M194 WeakPolarHBondContact CA-O 3.22Å; P168-M194 HydrophobicContact CB-CG 4.27Å; P168-M194 HydrophobicContact CB-SD 4.12Å; F169-M194 PolarHBondContact N-O 2.93Å
195I98.3Very high96.1Very high69 Ų6970.2 Ų70.235%0.35437%0.366SS..EExtended strand (participates in β ladder)trans-95.2117.7174.5-53.5-49000108.9F169 M171 F185 P193F169-I195 HydrophobicContact CB-CD1 3.93Å; M171-I195 HydrophobicContact CB-CG2 4.39Å; M171-I195 HydrophobicContact CG-CB 4.48Å; M171-I195 HydrophobicContact CG-CD1 3.65Å; M171-I195 HydrophobicContact CG-CG1 4.15Å; M171-I195 HydrophobicContact CG-CG2 3.58Å; M171-I195 HydrophobicContact SD-CD1 3.73Å; F185-I195 HydrophobicContact CE2-CD1 3.96Å; F185-I195 HydrophobicContact CZ-CD1 3.95Å; P193-I195 HydrophobicContact CB-CD1 4.08Å; P193-I195 HydrophobicContact CG-CD1 4.2Å; P193-I195 PolarHBondContact O-N 3Å
196Y98.5Very high96.3Very high139 Ų13969.6 Ų69.655%0.54536%0.363SS..EExtended strand (participates in β ladder)trans-82.6-44.2177.1-179.8-83.3000111.6F169 I170 M208 C213F169-Y196 PolarHBondContact O-N 2.63Å; I170-Y196 HydrophobicContact CD1-CD1 3.91Å; I170-Y196 HydrophobicContact CD1-CG 4.35Å; Y196-M208 HydrophobicContact CD1-CE 4.06Å; Y196-M208 HydrophobicContact CE1-CE 3.63Å; Y196-C213 HydrophobicContact CD1-CB 3.6Å; Y196-C213 WeakPolarHBondContact CD2-O 3.29Å; Y196-C213 HydrophobicContact CE1-CB 3.43Å; Y196-C213 VanDerWaalsContact CE1-CB 3.43Å; Y196-C213 VanDerWaalsContact CE1-SG 3.6Å; Y196-C213 HydrophobicContact CE2-CB 4.39Å; Y196-C213 HydrophobicContact CG-CB 4.17Å
197A98.2Very high96.4Very high22 Ų2263.1 Ų63.118%0.18235%0.346CS..EExtended strand (participates in β ladder)trans-150.3156.1179.900000111.6I170 M171 V199 M208I170-A197 WeakPolarHBondContact CA-O 3.49Å; I170-A197 HydrophobicContact CD1-CB 4.2Å; M171-A197 PolarHBondContact N-O 3.09Å; A197-V199 HydrophobicContact CB-CG1 4.49Å; A197-M208 HydrophobicContact CB-CE 4.17Å
198T98.4Very high96.7Very high66 Ų6659 Ų5941%0.40533%0.333SS..EExtended strand (participates in β ladder)trans-121.1128.9170.2-56.70000107.3M171 D173M171-T198 HydrophobicContact CB-CG2 4.37Å; M171-T198 CarbonylContact O-C 3.59Å; M171-T198 WeakPolarHBondContact O-CA 3.39Å; D173-T198 VanDerWaalsContact CA-CG2 3.44Å; D173-T198 HydrophobicContact CB-CG2 3.9Å; D173-T198 VanDerWaalsContact OD1-CG2 3.31Å; D173-T198 WeakPolarHBondContact OD1-CG2 3.35Å
199V97.7Very high97Very high27 Ų2756.1 Ų56.116%0.16432%0.317CS..EExtended strand (participates in β ladder)trans-134.5147-172.8-59.30000111.8I170 M171 A172 D173 A197 A204 M205 M208I170-V199 HydrophobicContact CG2-CG1 4.48Å; I170-V199 HydrophobicContact CG2-CG2 4.1Å; M171-V199 PolarHBondContact O-N 3.31Å; A172-V199 CarbonylContact C-O 3.49Å; A172-V199 WeakPolarHBondContact CA-O 3.44Å; D173-V199 PolarHBondContact N-O 2.97Å; A197-V199 HydrophobicContact CB-CG1 4.49Å; V199-A204 HydrophobicContact CB-CB 3.87Å; V199-A204 HydrophobicContact CG1-CB 4.37Å; V199-A204 HydrophobicContact CG2-CB 3.83Å; V199-M205 HydrophobicContact CG2-CB 4.36Å; V199-M205 HydrophobicContact CG2-CG 3.43Å; V199-M205 VanDerWaalsContact CG2-CG 3.43Å; V199-M208 HydrophobicContact CG1-CG 4.29Å
200G93.5Very high97.2Very high51 Ų5147.3 Ų47.353%0.52628%0.28SS..SBendtrans-84.8138.7166.300000110.8
201G92.3Very high97.2Very high14 Ų1451.6 Ų51.614%0.14430%0.302CS..SBendtrans75.5138.9-175.300000114.5D104 E203 A204D104-G201 PolarHBondContact OD2-N 3.3Å; G201-E203 VanDerWaalsContact C-N 3.34Å; G201-E203 PolarHBondContact O-N 3.09Å; G201-A204 PolarHBondContact O-N 3.05Å
202H97Very high97.4Very high19 Ų1946.6 Ų46.69%0.08827%0.27CS..Hα-helixtrans-75.8-24-175-55.3154.4000112.8V177 A204 M205 V206 V222V177-H202 VanDerWaalsContact CG2-CE1 3.45Å; V177-H202 WeakPolarHBondContact CG2-CE1 3.36Å; V177-H202 WeakPolarHBondContact CG2-NE2 3.44Å; H202-A204 PolarHBondContact O-N 3.03Å; H202-M205 HydrophobicContact CB-SD 4.42Å; H202-M205 VanDerWaalsContact O-CB 3.29Å; H202-M205 WeakPolarHBondContact O-CB 3.29Å; H202-M205 PolarHBondContact O-N 2.7Å; H202-V206 PolarHBondContact O-N 3.12Å; H202-V222 HydrophobicContact CB-CB 4.34Å; H202-V222 HydrophobicContact CB-CG1 3.72Å; H202-V222 HydrophobicContact CB-CG2 3.74Å
203E97.3Very high97.5Very high56 Ų5641.1 Ų41.126%0.26224%0.242SC..Hα-helixtrans-62.9-34.1176.2-60.880.5179.800111.2V75 T76 G201 M205 V206 S207 V222V75-E203 WeakPolarHBondContact CB-OE1 3.46Å; T76-E203 PolarHBondContact N-OE1 3.5Å; T76-E203 PolarHBondContact OG1-OE1 2.85Å; G201-E203 VanDerWaalsContact C-N 3.34Å; G201-E203 PolarHBondContact O-N 3.09Å; E203-M205 VanDerWaalsContact C-N 3.34Å; E203-V206 PolarHBondContact O-N 3.05Å; E203-S207 PolarHBondContact O-N 2.83Å; E203-S207 VanDerWaalsContact O-N 3.09Å; E203-S207 PolarHBondContact O-OG 2.87Å; E203-V222 HydrophobicContact CG-CG1 4.44Å
204A97.6Very high97.6Very high34 Ų3439.6 Ų39.628%0.28123%0.232SC..Hα-helixtrans-67-35.9173.100000111.5V199 G201 H202 S207 M208V199-A204 HydrophobicContact CB-CB 3.87Å; V199-A204 HydrophobicContact CG1-CB 4.37Å; V199-A204 HydrophobicContact CG2-CB 3.83Å; G201-A204 PolarHBondContact O-N 3.05Å; H202-A204 PolarHBondContact O-N 3.03Å; A204-S207 WeakPolarHBondContact O-CB 3.38Å; A204-S207 PolarHBondContact O-N 2.87Å; A204-M208 WeakPolarHBondContact O-CG 3.4Å; A204-M208 PolarHBondContact O-N 3.32Å
205M98.4Very high97.6Very high0 Ų035 Ų350%021%0.21CC..Hα-helixtrans-61.2-47.1175.5-58.2171.66400110.7I170 A172 V177 I181 V199 H202 E203 S207 M208 V209 A216 L218I170-M205 HydrophobicContact CG2-CB 4.31Å; I170-M205 HydrophobicContact CG2-CG 4.27Å; A172-M205 HydrophobicContact CB-SD 3.9Å; V177-M205 HydrophobicContact CG1-CE 4.05Å; V177-M205 HydrophobicContact CG1-SD 4.28Å; I181-M205 HydrophobicContact CD1-CE 3.97Å; V199-M205 HydrophobicContact CG2-CB 4.36Å; V199-M205 HydrophobicContact CG2-CG 3.43Å; V199-M205 VanDerWaalsContact CG2-CG 3.43Å; H202-M205 HydrophobicContact CB-SD 4.42Å; H202-M205 VanDerWaalsContact O-CB 3.29Å; H202-M205 WeakPolarHBondContact O-CB 3.29Å; H202-M205 PolarHBondContact O-N 2.7Å; E203-M205 VanDerWaalsContact C-N 3.34Å; M205-S207 VanDerWaalsContact C-N 3.29Å; M205-S207 PolarHBondContact O-N 2.91Å; M205-M208 PolarHBondContact O-N 3.33Å; M205-V209 WeakPolarHBondContact O-CG2 3.34Å; M205-V209 PolarHBondContact O-N 2.92Å; M205-A216 HydrophobicContact CB-CB 4.22Å; M205-A216 HydrophobicContact CE-CB 3.83Å; M205-L218 HydrophobicContact CB-CD2 3.84Å; M205-L218 HydrophobicContact CE-CB 4.27Å; M205-L218 HydrophobicContact CE-CD2 4.36Å
206V98.5Very high97.6Very high0 Ų031.8 Ų31.80%019%0.193CC..Hα-helixtrans-60.3-41.6176.6-170.80000110.9I145 H202 E203 V209 A210 L218 V222 L223 V230 V234I145-V206 HydrophobicContact CD1-CB 4.45Å; I145-V206 HydrophobicContact CD1-CG1 4.42Å; I145-V206 HydrophobicContact CD1-CG2 4.23Å; H202-V206 PolarHBondContact O-N 3.12Å; E203-V206 PolarHBondContact O-N 3.05Å; V206-V209 PolarHBondContact O-N 3.38Å; V206-A210 WeakPolarHBondContact O-CB 3.43Å; V206-A210 PolarHBondContact O-N 3.46Å; V206-L218 HydrophobicContact CG2-CD2 3.78Å; V206-V222 HydrophobicContact CG2-CG1 3.78Å; V206-L223 HydrophobicContact CG1-CD1 3.89Å; V206-V230 HydrophobicContact CB-CG1 4.41Å; V206-V230 HydrophobicContact CG1-CG1 3.73Å; V206-V234 HydrophobicContact CG1-CG2 4.01Å
207S98.1Very high97.5Very high47 Ų4725.3 Ų25.333%0.32917%0.168SC..Hα-helixtrans-62.6-43.9178.8-600000112.6E203 A204 M205 A210 L211E203-S207 PolarHBondContact O-N 2.83Å; E203-S207 VanDerWaalsContact O-N 3.09Å; E203-S207 PolarHBondContact O-OG 2.87Å; A204-S207 WeakPolarHBondContact O-CB 3.38Å; A204-S207 PolarHBondContact O-N 2.87Å; M205-S207 VanDerWaalsContact C-N 3.29Å; M205-S207 PolarHBondContact O-N 2.91Å; S207-A210 PolarHBondContact O-N 3.22Å; S207-L211 WeakPolarHBondContact O-CG 3.3Å; S207-L211 PolarHBondContact O-N 3.44Å
208M98.5Very high97.4Very high41 Ų4124.2 Ų24.220%0.20216%0.159CC..Hα-helixtrans-65.9-38.1177.2-66.9-55.3-69.300112.2I170 Y196 A197 V199 A204 M205 L211 G212 C213I170-M208 HydrophobicContact CB-CB 4.49Å; I170-M208 HydrophobicContact CD1-CB 3.79Å; I170-M208 HydrophobicContact CG1-CB 3.79Å; I170-M208 HydrophobicContact CG2-CB 3.95Å; I170-M208 HydrophobicContact CG2-CG 4.23Å; Y196-M208 HydrophobicContact CD1-CE 4.06Å; Y196-M208 HydrophobicContact CE1-CE 3.63Å; A197-M208 HydrophobicContact CB-CE 4.17Å; V199-M208 HydrophobicContact CG1-CG 4.29Å; A204-M208 WeakPolarHBondContact O-CG 3.4Å; A204-M208 PolarHBondContact O-N 3.32Å; M205-M208 PolarHBondContact O-N 3.33Å; M208-L211 PolarHBondContact O-N 3.06Å; M208-L211 HydrophobicContact SD-CD1 4.31Å; M208-G212 PolarHBondContact O-N 3.27Å; M208-C213 HydrophobicContact CB-CB 4.47Å; M208-C213 HydrophobicContact CE-CB 3.94Å; M208-C213 VanDerWaalsContact O-CB 3.29Å; M208-C213 WeakPolarHBondContact O-CB 3.06Å; M208-C213 PolarHBondContact O-N 2.76Å; M208-C213 VanDerWaalsContact O-N 3.15Å
209V98.6Very high97.3Very high0 Ų021.4 Ų21.40%014%0.142CC..Hα-helixtrans-65.5-44.3174175.70000110.7I145 P147 I170 M205 V206 L211 G212 A216 V234I145-V209 HydrophobicContact CB-CG1 4.46Å; I145-V209 HydrophobicContact CD1-CB 3.88Å; I145-V209 HydrophobicContact CD1-CG1 3.98Å; I145-V209 HydrophobicContact CD1-CG2 3.78Å; I145-V209 HydrophobicContact CG1-CB 4.4Å; I145-V209 HydrophobicContact CG1-CG1 4.13Å; I145-V209 HydrophobicContact CG1-CG2 4.03Å; P147-V209 WeakPolarHBondContact CB-O 3.34Å; P147-V209 HydrophobicContact CG-CG1 4.36Å; P147-V209 VanDerWaalsContact CG-O 3.3Å; P147-V209 WeakPolarHBondContact CG-O 3.38Å; I170-V209 HydrophobicContact CG1-CG2 4.17Å; M205-V209 WeakPolarHBondContact O-CG2 3.34Å; M205-V209 PolarHBondContact O-N 2.92Å; V206-V209 PolarHBondContact O-N 3.38Å; V209-L211 PolarHBondContact O-N 3.15Å; V209-G212 PolarHBondContact O-N 2.92Å; V209-A216 HydrophobicContact CG2-CB 3.67Å; V209-V234 HydrophobicContact CG1-CG1 4.19Å; V209-V234 HydrophobicContact CG1-CG2 4.16Å
210A98.3Very high97.2Very high5 Ų523 Ų234%0.04115%0.148CC..Hα-helixtrans-59.3-31.1176.100000113.1V206 S207 G212 V230 R233 V234V206-A210 WeakPolarHBondContact O-CB 3.43Å; V206-A210 PolarHBondContact O-N 3.46Å; S207-A210 PolarHBondContact O-N 3.22Å; A210-G212 PolarHBondContact O-N 3.33Å; A210-V230 HydrophobicContact CB-CG1 3.69Å; A210-R233 HydrophobicContact CB-CB 3.84Å; A210-R233 PolarHBondContact O-NE 3.12Å; A210-R233 PolarHBondContact O-NH2 3.34Å; A210-V234 HydrophobicContact CB-CG2 3.85Å
211L97.6Very high97.4Very high110 Ų11021.3 Ų21.358%0.57613%0.127SC*.THydrogen-bonded Turntrans-75.6-7.9175-71.6171000113.9S207 M208 V209S207-L211 WeakPolarHBondContact O-CG 3.3Å; S207-L211 PolarHBondContact O-N 3.44Å; M208-L211 PolarHBondContact O-N 3.06Å; M208-L211 HydrophobicContact SD-CD1 4.31Å; V209-L211 PolarHBondContact O-N 3.15Å
212G98.2Very high97.7Very high17 Ų1720.8 Ų20.818%0.17512%0.121CC..THydrogen-bonded Turntrans85.510.4-179.100000114.3V153 M208 V209 A210V153-G212 VanDerWaalsContact CG2-O 3.32Å; V153-G212 WeakPolarHBondContact CG2-O 3.39Å; M208-G212 PolarHBondContact O-N 3.27Å; V209-G212 PolarHBondContact O-N 2.92Å; A210-G212 PolarHBondContact O-N 3.33Å
213C98.4Very high97.7Very high19 Ų1920.6 Ų20.613%0.12812%0.12CC..SBendtrans-74.7-23.6-174-65.70000113.7P168 I170 Y196 M208P168-C213 WeakPolarHBondContact CB-O 3.32Å; P168-C213 WeakPolarHBondContact CG-O 3.29Å; I170-C213 HydrophobicContact CD1-CB 4.05Å; Y196-C213 HydrophobicContact CD1-CB 3.6Å; Y196-C213 WeakPolarHBondContact CD2-O 3.29Å; Y196-C213 HydrophobicContact CE1-CB 3.43Å; Y196-C213 VanDerWaalsContact CE1-CB 3.43Å; Y196-C213 VanDerWaalsContact CE1-SG 3.6Å; Y196-C213 HydrophobicContact CE2-CB 4.39Å; Y196-C213 HydrophobicContact CG-CB 4.17Å; M208-C213 HydrophobicContact CB-CB 4.47Å; M208-C213 HydrophobicContact CE-CB 3.94Å; M208-C213 VanDerWaalsContact O-CB 3.29Å; M208-C213 WeakPolarHBondContact O-CB 3.06Å; M208-C213 PolarHBondContact O-N 2.76Å; M208-C213 VanDerWaalsContact O-N 3.15Å
214G98.5Very high97.6Very high0 Ų023.2 Ų23.20%013%0.132CC..  trans173.9-167.3-176.800000113.6P147 P168P147-G214 WeakPolarHBondContact CD-O 3.44Å; P168-G214 CarbonylContact O-C 3.5Å; P168-G214 WeakPolarHBondContact O-CA 3.38Å
215V98.1Very high97.6Very high0 Ų024.5 Ų24.50%014%0.135CC..BIsolated β-bridgetrans-109161.2171.2-59.80000110.8L144 I145 A146 V153 V157 W164 V167 P168 F169 I170L144-V215 HydrophobicContact CD1-CB 4.26Å; L144-V215 HydrophobicContact CD1-CG2 4.28Å; I145-V215 VanDerWaalsContact O-CA 3.26Å; I145-V215 WeakPolarHBondContact O-CA 3.32Å; I145-V215 VanDerWaalsContact O-CB 3.28Å; I145-V215 WeakPolarHBondContact O-CB 3.45Å; A146-V215 HydrophobicContact CB-CG1 3.94Å; V153-V215 HydrophobicContact CG1-CG1 4.01Å; V157-V215 HydrophobicContact CG1-CG1 3.81Å; W164-V215 HydrophobicContact CZ3-CG2 4.41Å; V167-V215 HydrophobicContact CG1-CG1 3.91Å; V167-V215 HydrophobicContact CG1-CG2 3.79Å; P168-V215 PolarHBondContact O-N 3.48Å; F169-V215 CarbonylContact C-O 3.52Å; F169-V215 WeakPolarHBondContact CA-O 3.02Å; F169-V215 HydrophobicContact CD1-CG2 3.69Å; F169-V215 HydrophobicContact CD2-CG2 3.82Å; F169-V215 HydrophobicContact CE1-CG2 3.52Å; F169-V215 HydrophobicContact CE2-CG2 3.64Å; F169-V215 HydrophobicContact CG-CG2 3.82Å; F169-V215 HydrophobicContact CZ-CG2 3.47Å; F169-V215 VanDerWaalsContact CZ-CG2 3.47Å; I170-V215 PolarHBondContact N-O 2.93Å
216A97.7Very high97.6Very high0 Ų024.8 Ų24.80%014%0.137CC..EExtended strand (participates in β ladder)trans-146.1145.9177.600000111.7L144 I145 I170 M205 V209 L218L144-A216 WeakPolarHBondContact CA-O 3.47Å; I145-A216 HydrophobicContact CD1-CB 4.24Å; I145-A216 HydrophobicContact CG1-CB 3.91Å; I145-A216 VanDerWaalsContact CG1-O 3.27Å; I145-A216 WeakPolarHBondContact CG1-O 3.45Å; I145-A216 PolarHBondContact N-O 3.26Å; I145-A216 PolarHBondContact O-N 2.95Å; I145-A216 VanDerWaalsContact O-N 3.11Å; I170-A216 HydrophobicContact CB-CB 4.26Å; M205-A216 HydrophobicContact CB-CB 4.22Å; M205-A216 HydrophobicContact CE-CB 3.83Å; V209-A216 HydrophobicContact CG2-CB 3.67Å; A216-L218 HydrophobicContact CB-CD2 4.32Å
217L96.5Very high97.5Very high3 Ų329.1 Ų29.12%0.01617%0.165CC..EExtended strand (participates in β ladder)trans-106122.4171-171.279.1000108.2V142 V143 L144 V177 R180 I181 W184 E242V142-L217 HydrophobicContact CG1-CD1 3.84Å; V142-L217 HydrophobicContact CG1-CD2 4.13Å; V142-L217 HydrophobicContact CG1-CG 3.62Å; V143-L217 WeakPolarHBondContact O-CA 3.34Å; L144-L217 HydrophobicContact CB-CD1 4.01Å; L144-L217 HydrophobicContact CD1-CB 4.48Å; V177-L217 VanDerWaalsContact CG1-O 3.29Å; V177-L217 WeakPolarHBondContact CG1-O 3.49Å; R180-L217 HydrophobicContact CB-CD2 4.5Å; R180-L217 HydrophobicContact CG-CD2 3.73Å; I181-L217 HydrophobicContact CG1-CB 3.76Å; I181-L217 HydrophobicContact CG1-CD2 4.36Å; W184-L217 HydrophobicContact CB-CD2 4.27Å; W184-L217 HydrophobicContact CG-CD2 4.47Å; L217-E242 HydrophobicContact CD1-CB 4.49Å; L217-E242 HydrophobicContact CD2-CG 4.47Å
218L96.6Very high97.4Very high0 Ų032.5 Ų32.50%018%0.175CC..EExtended strand (participates in β ladder)trans-157.5167.6-174.257.176.6000112.3V142 V143 I145 M205 V206 A216 E220 V222V142-L218 WeakPolarHBondContact CA-O 3.45Å; V143-L218 HydrophobicContact CG2-CD1 4.29Å; V143-L218 PolarHBondContact N-O 2.81Å; V143-L218 PolarHBondContact O-N 3.12Å; I145-L218 HydrophobicContact CD1-CD2 3.82Å; I145-L218 HydrophobicContact CD1-CG 4.4Å; I145-L218 HydrophobicContact CG1-CD2 4.36Å; M205-L218 HydrophobicContact CB-CD2 3.84Å; M205-L218 HydrophobicContact CE-CB 4.27Å; M205-L218 HydrophobicContact CE-CD2 4.36Å; V206-L218 HydrophobicContact CG2-CD2 3.78Å; A216-L218 HydrophobicContact CB-CD2 4.32Å; L218-E220 PolarHBondContact O-N 3.42Å; L218-V222 HydrophobicContact CD1-CB 4.04Å
219P96.3Very high97.2Very high7 Ų735.5 Ų35.55%0.04520%0.198CC..EExtended strand (participates in β ladder)trans-62.9130.8174.4-2031.7000112.2L140 A141 V177 V221 V222 F246L140-P219 HydrophobicContact CB-CB 4.23Å; L140-P219 HydrophobicContact CD1-CB 4.14Å; A141-P219 CarbonylContact O-C 3.42Å; A141-P219 VanDerWaalsContact O-CA 3.28Å; A141-P219 WeakPolarHBondContact O-CA 3.48Å; V177-P219 HydrophobicContact CG2-CG 4.23Å; P219-V221 HydrophobicContact CB-CG1 4.06Å; P219-V221 PolarHBondContact O-N 3.16Å; P219-V222 HydrophobicContact CB-CG2 4.23Å; P219-V222 HydrophobicContact CG-CG2 4.46Å; P219-V222 WeakPolarHBondContact O-CB 3.49Å; P219-V222 WeakPolarHBondContact O-CG2 3.46Å; P219-V222 PolarHBondContact O-N 3.04Å; P219-F246 HydrophobicContact CG-CD2 3.9Å; P219-F246 HydrophobicContact CG-CE2 4.27Å
220E96.1Very high97.1Very high61 Ų6137 Ų3729%0.28521%0.207SC..Hα-helixtrans-56-36.9-175.7-173.2167.1-159.200113.2A141 V143 L218 V222 L223 E224A141-E220 HydrophobicContact CB-CB 4.21Å; A141-E220 WeakPolarHBondContact CB-OE2 3.4Å; A141-E220 PolarHBondContact O-N 2.9Å; V143-E220 HydrophobicContact CG1-CB 3.87Å; V143-E220 HydrophobicContact CG1-CG 3.97Å; V143-E220 HydrophobicContact CG2-CB 3.94Å; V143-E220 HydrophobicContact CG2-CG 4.28Å; L218-E220 PolarHBondContact O-N 3.42Å; E220-V222 PolarHBondContact O-N 3.15Å; E220-L223 WeakPolarHBondContact O-CA 3.46Å; E220-L223 WeakPolarHBondContact O-CB 3.38Å; E220-L223 PolarHBondContact O-N 3.29Å; E220-E224 HydrophobicContact CG-CG 4.33Å; E220-E224 PolarHBondContact O-N 3.26Å
221V97Very high97.1Very high15 Ų1541.5 Ų41.59%0.09122%0.223CC..Hα-helixtrans-55-27.2177.465.70000113.9T76 L140 P219 E224 N225T76-V221 HydrophobicContact CG2-CB 4.5Å; T76-V221 HydrophobicContact CG2-CG1 3.92Å; T76-V221 HydrophobicContact CG2-CG2 4.13Å; L140-V221 HydrophobicContact CD1-CG1 4.03Å; L140-V221 HydrophobicContact CD2-CG1 4.08Å; P219-V221 HydrophobicContact CB-CG1 4.06Å; P219-V221 PolarHBondContact O-N 3.16Å; V221-E224 WeakPolarHBondContact CA-OE2 3.24Å; V221-E224 PolarHBondContact O-N 3.03Å; V221-N225 WeakPolarHBondContact CG2-ND2 3.18Å; V221-N225 WeakPolarHBondContact O-CB 3.17Å; V221-N225 PolarHBondContact O-N 3.14Å; V221-N225 PolarHBondContact O-ND2 3.11Å
222V97.9Very high97Very high3 Ų341 Ų412%0.01822%0.221CC..Hα-helixtrans-66.9-41.2174.6-175.90000110.3T76 H202 E203 V206 L218 P219 E220 S226T76-V222 HydrophobicContact CG2-CB 4.48Å; T76-V222 HydrophobicContact CG2-CG2 4.04Å; H202-V222 HydrophobicContact CB-CB 4.34Å; H202-V222 HydrophobicContact CB-CG1 3.72Å; H202-V222 HydrophobicContact CB-CG2 3.74Å; E203-V222 HydrophobicContact CG-CG1 4.44Å; V206-V222 HydrophobicContact CG2-CG1 3.78Å; L218-V222 HydrophobicContact CD1-CB 4.04Å; P219-V222 HydrophobicContact CB-CG2 4.23Å; P219-V222 HydrophobicContact CG-CG2 4.46Å; P219-V222 WeakPolarHBondContact O-CB 3.49Å; P219-V222 WeakPolarHBondContact O-CG2 3.46Å; P219-V222 PolarHBondContact O-N 3.04Å; E220-V222 PolarHBondContact O-N 3.15Å; V222-S226 PolarHBondContact O-N 3.18Å; V222-S226 VanDerWaalsContact O-N 3.09Å; V222-S226 PolarHBondContact O-OG 2.85Å
223L97.5Very high97.1Very high14 Ų1444.5 Ų44.57%0.07323%0.229CC..Hα-helixtrans-70.6-41.2176.5-179.963.7000111.1I145 V206 E220 N225 S226 R231 V234 I236I145-L223 HydrophobicContact CG2-CD2 4.04Å; V206-L223 HydrophobicContact CG1-CD1 3.89Å; E220-L223 WeakPolarHBondContact O-CA 3.46Å; E220-L223 WeakPolarHBondContact O-CB 3.38Å; E220-L223 PolarHBondContact O-N 3.29Å; L223-N225 VanDerWaalsContact C-N 3.28Å; L223-N225 PolarHBondContact O-N 3.24Å; L223-S226 WeakPolarHBondContact O-CB 3.13Å; L223-S226 PolarHBondContact O-N 3.47Å; L223-S226 VanDerWaalsContact O-N 3.12Å; L223-R231 HydrophobicContact CD1-CG 3.97Å; L223-R231 HydrophobicContact CG-CG 4.4Å; L223-R231 VanDerWaalsContact O-CD 3.27Å; L223-R231 WeakPolarHBondContact O-CD 3.27Å; L223-V234 HydrophobicContact CD1-CB 4Å; L223-V234 HydrophobicContact CD1-CG1 3.89Å; L223-V234 HydrophobicContact CD2-CG1 4.36Å; L223-I236 HydrophobicContact CD2-CD1 3.94Å; L223-I236 HydrophobicContact CD2-CG1 3.67Å
224E96.4Very high97.1Very high111 Ų11144.3 Ų44.352%0.51923%0.227SC..Hα-helixtrans-58.1-41.5177.5-65.8177.7149.900111.8E220 V221 R231E220-E224 HydrophobicContact CG-CG 4.33Å; E220-E224 PolarHBondContact O-N 3.26Å; V221-E224 WeakPolarHBondContact CA-OE2 3.24Å; V221-E224 PolarHBondContact O-N 3.03Å; E224-R231 PolarHBondContact O-NH1 3.4Å
225N96.5Very high97Very high61 Ų6147.4 Ų47.433%0.32624%0.242SC..THydrogen-bonded Turntrans-89.22.5179.2-70.2-87.1000113.9V221 L223V221-N225 WeakPolarHBondContact CG2-ND2 3.18Å; V221-N225 WeakPolarHBondContact O-CB 3.17Å; V221-N225 PolarHBondContact O-N 3.14Å; V221-N225 PolarHBondContact O-ND2 3.11Å; L223-N225 VanDerWaalsContact C-N 3.28Å; L223-N225 PolarHBondContact O-N 3.24Å
226S97.6Very high96.9Very high6 Ų650.6 Ų50.64%0.04226%0.259CS..SBendtrans-71.7140175.5-72.10000111.2V222 L223V222-S226 PolarHBondContact O-N 3.18Å; V222-S226 VanDerWaalsContact O-N 3.09Å; V222-S226 PolarHBondContact O-OG 2.85Å; L223-S226 WeakPolarHBondContact O-CB 3.13Å; L223-S226 PolarHBondContact O-N 3.47Å; L223-S226 VanDerWaalsContact O-N 3.12Å
227P96.4Very high96.7Very high91 Ų9151.1 Ų51.159%0.59126%0.261SS*.  trans-56.2142.9175.6-25.634.4000112.2P229 V230 R231P227-P229 VanDerWaalsContact C-N 3.34Å; P227-V230 PolarHBondContact O-N 2.69Å; P227-R231 PolarHBondContact O-N 2.9Å
228E96Very high95.9Very high119 Ų11960.1 Ų60.156%0.55630%0.303SS*.Hα-helixtrans-49.2-43.1-176.6-175.7-177.7175.300114.6V230 R231 N232E228-V230 PolarHBondContact O-N 3.36Å; E228-V230 VanDerWaalsContact O-N 3.13Å; E228-R231 PolarHBondContact O-N 2.79Å; E228-N232 WeakPolarHBondContact CG-ND2 3.28Å; E228-N232 WeakPolarHBondContact O-CB 3.39Å; E228-N232 VanDerWaalsContact O-CG 3.31Å; E228-N232 PolarHBondContact O-N 2.86Å; E228-N232 PolarHBondContact OE1-ND2 3.05Å; E228-N232 VanDerWaalsContact OE1-ND2 3.14Å
229P95.1Very high94.5Very high103 Ų10365.2 Ų65.267%0.66932%0.323SS*.Hα-helixtrans-60-26.4179.1-25.736.1000114.6P227 R233P227-P229 VanDerWaalsContact C-N 3.34Å; P229-R233 VanDerWaalsContact O-CD 3.29Å; P229-R233 WeakPolarHBondContact O-CD 3.49Å
230V97.2Very high92.9Very high33 Ų3366 Ų6620%0.233%0.328CS..Hα-helixtrans-90.5-49.61761790000109.7V206 A210 P227 E228 N232 R233V206-V230 HydrophobicContact CB-CG1 4.41Å; V206-V230 HydrophobicContact CG1-CG1 3.73Å; A210-V230 HydrophobicContact CB-CG1 3.69Å; P227-V230 PolarHBondContact O-N 2.69Å; E228-V230 PolarHBondContact O-N 3.36Å; E228-V230 VanDerWaalsContact O-N 3.13Å; V230-N232 VanDerWaalsContact C-N 3.33Å; V230-N232 PolarHBondContact O-N 2.9Å; V230-R233 WeakPolarHBondContact O-CB 3.42Å; V230-R233 PolarHBondContact O-N 3.24Å
231R97.1Very high91.6Very high99 Ų9967.3 Ų67.337%0.37434%0.337SS..Hα-helixtrans-58-41.2-176.1-172.6175.263.5-151.9-3.9112.7L223 E224 P227 E228 R233 V234L223-R231 HydrophobicContact CD1-CG 3.97Å; L223-R231 HydrophobicContact CG-CG 4.4Å; L223-R231 VanDerWaalsContact O-CD 3.27Å; L223-R231 WeakPolarHBondContact O-CD 3.27Å; E224-R231 PolarHBondContact O-NH1 3.4Å; P227-R231 PolarHBondContact O-N 2.9Å; E228-R231 PolarHBondContact O-N 2.79Å; R231-R233 PolarHBondContact O-N 2.76Å; R231-R233 VanDerWaalsContact O-N 3.09Å; R231-V234 PolarHBondContact O-N 2.81Å; R231-V234 VanDerWaalsContact O-N 3.11Å
232N97.1Very high90.4Very high100 Ų10067 Ų6754%0.53534%0.335SS..THydrogen-bonded Turntrans-66.8-11.4179.3-69-3.1000113.7E228 V230E228-N232 WeakPolarHBondContact CG-ND2 3.28Å; E228-N232 WeakPolarHBondContact O-CB 3.39Å; E228-N232 VanDerWaalsContact O-CG 3.31Å; E228-N232 PolarHBondContact O-N 2.86Å; E228-N232 PolarHBondContact OE1-ND2 3.05Å; E228-N232 VanDerWaalsContact OE1-ND2 3.14Å; V230-N232 VanDerWaalsContact C-N 3.33Å; V230-N232 PolarHBondContact O-N 2.9Å
233R98.3Very high89.5Confident89 Ų8975.8 Ų75.834%0.33637%0.373SS..THydrogen-bonded Turntrans-101.37.4178.9-62.7176.159160.51.7112.7A148 L149 A210 P229 V230 R231A148-R233 VanDerWaalsContact CB-C 3.5Å; A148-R233 PolarHBondContact N-O 2.98Å; L149-R233 HydrophobicContact CD1-CG 4.1Å; L149-R233 HydrophobicContact CG-CG 4.35Å; A210-R233 HydrophobicContact CB-CB 3.84Å; A210-R233 PolarHBondContact O-NE 3.12Å; A210-R233 PolarHBondContact O-NH2 3.34Å; P229-R233 VanDerWaalsContact O-CD 3.29Å; P229-R233 WeakPolarHBondContact O-CD 3.49Å; V230-R233 WeakPolarHBondContact O-CB 3.42Å; V230-R233 PolarHBondContact O-N 3.24Å; R231-R233 PolarHBondContact O-N 2.76Å; R231-R233 VanDerWaalsContact O-N 3.09Å
234V98.3Very high89Confident16 Ų1678.8 Ų78.810%0.09739%0.392CS..EExtended strand (participates in β ladder)trans-124142.7-178178.90000109.5I145 A146 V206 V209 A210 L223 R231I145-V234 HydrophobicContact CB-CG1 3.6Å; I145-V234 HydrophobicContact CD1-CG1 3.9Å; I145-V234 HydrophobicContact CG1-CG1 4.31Å; I145-V234 HydrophobicContact CG2-CG1 3.99Å; A146-V234 WeakPolarHBondContact O-CA 3.49Å; V206-V234 HydrophobicContact CG1-CG2 4.01Å; V209-V234 HydrophobicContact CG1-CG1 4.19Å; V209-V234 HydrophobicContact CG1-CG2 4.16Å; A210-V234 HydrophobicContact CB-CG2 3.85Å; L223-V234 HydrophobicContact CD1-CB 4Å; L223-V234 HydrophobicContact CD1-CG1 3.89Å; L223-V234 HydrophobicContact CD2-CG1 4.36Å; R231-V234 PolarHBondContact O-N 2.81Å; R231-V234 VanDerWaalsContact O-N 3.11Å
235M97.1Very high88.9Confident64 Ų6475.7 Ų75.732%0.31538%0.381SS..EExtended strand (participates in β ladder)trans-123.8145.217158-177.8-89.100109.9I145 A146 A148 L237I145-M235 WeakPolarHBondContact CA-O 3.48Å; A146-M235 HydrophobicContact CB-CG 4.28Å; A146-M235 PolarHBondContact N-O 2.82Å; A146-M235 PolarHBondContact O-N 3.11Å; A148-M235 HydrophobicContact CB-CB 4.31Å; A148-M235 HydrophobicContact CB-CG 4.44Å; M235-L237 HydrophobicContact CE-CD2 3.56Å
236I96.2Very high88.8Confident67 Ų6773.7 Ų73.734%0.34437%0.37SS..EExtended strand (participates in β ladder)trans-81133.6170.3-62170.2000108.2V143 I145 L223V143-I236 HydrophobicContact CB-CG1 4.48Å; V143-I236 HydrophobicContact CB-CG2 4.04Å; V143-I236 HydrophobicContact CG1-CD1 4.29Å; V143-I236 HydrophobicContact CG1-CG2 4.03Å; I145-I236 HydrophobicContact CG2-CG1 4.34Å; L223-I236 HydrophobicContact CD2-CD1 3.94Å; L223-I236 HydrophobicContact CD2-CG1 3.67Å
237L93.7Very high88.7Confident11 Ų1177 Ų776%0.05838%0.384CS..EExtended strand (participates in β ladder)trans-91.9112.8169.4-61.3-177.1000108.5L144 A146 V157 W164 M235 R239L144-L237 HydrophobicContact CB-CB 4.44Å; L144-L237 HydrophobicContact CD2-CB 4.3Å; L144-L237 HydrophobicContact CD2-CD1 3.89Å; L144-L237 HydrophobicContact CG-CB 4.37Å; L144-L237 HydrophobicContact CG-CD1 4.12Å; L144-L237 PolarHBondContact O-N 2.8Å; A146-L237 HydrophobicContact CB-CD1 3.87Å; A146-L237 HydrophobicContact CB-CD2 4.11Å; A146-L237 HydrophobicContact CB-CG 3.9Å; V157-L237 HydrophobicContact CB-CD1 3.97Å; V157-L237 HydrophobicContact CG1-CD1 4.34Å; V157-L237 HydrophobicContact CG2-CD1 4.21Å; V157-L237 HydrophobicContact CG2-CD2 4.35Å; W164-L237 HydrophobicContact CH2-CD1 4.01Å; M235-L237 HydrophobicContact CE-CD2 3.56Å; L237-R239 PolarHBondContact O-N 3.3Å
238E79.8Confident88.7Confident192 Ų19273.3 Ų73.390%0.89736%0.36SS*.THydrogen-bonded Turntrans-6515.6175.4-61.4-175.3170.100114.1
239R67.8Low88.8Confident107 Ų10767.7 Ų67.740%0.40433%0.334SS..THydrogen-bonded Turntrans-103.4-3.2-173.7-62.7-175.8-177.8172.7-1113.7V157 V159 L237 D241V157-R239 PolarHBondContact O-NH1 2.85Å; V157-R239 VanDerWaalsContact O-NH1 3.09Å; V159-R239 VanDerWaalsContact O-CZ 3.32Å; V159-R239 PolarHBondContact O-NH1 2.92Å; V159-R239 PolarHBondContact O-NH2 3.12Å; V159-R239 VanDerWaalsContact O-NH2 3.09Å; L237-R239 PolarHBondContact O-N 3.3Å; R239-D241 PolarHBondContact O-N 3.36Å
240S62.5Low88.9Confident24 Ų2462.8 Ų62.817%0.16830%0.302CS..  trans-68110.8170.357.30000108.4E242S240-E242 PolarHBondContact O-N 3.4Å; S240-E242 VanDerWaalsContact O-N 3.1Å
241D68.4Low88.9Confident88 Ų8861.2 Ų61.247%0.47129%0.292SS..  trans-61.8-3.7161.861.7-39.1000112.4W184 R239 K243W184-D241 PolarHBondContact NE1-OD1 3.07Å; R239-D241 PolarHBondContact O-N 3.36Å; D241-K243 PolarHBondContact O-N 2.99Å
242E72.5Confident89Confident9 Ų956.5 Ų56.54%0.04228%0.275CS..  trans-69.793.8177-165.160.4-126.800111.8V142 R180 R187 L217 S240V142-E242 HydrophobicContact CB-CG 4.19Å; V142-E242 HydrophobicContact CG1-CG 4.11Å; R180-E242 IonicContact CZ-OE1 3.44Å; R180-E242 IonicContact NE-OE1 2.71Å; R180-E242 IonicContact NH1-OE1 3.23Å; R180-E242 PolarHBondContact NH1-OE1 2.96Å; R187-E242 IonicContact CZ-OE2 3.93Å; R187-E242 IonicContact NH1-OE1 3.46Å; R187-E242 PolarHBondContact NH1-OE1 2.91Å; R187-E242 IonicContact NH1-OE2 2.73Å; R187-E242 PolarHBondContact NH1-OE2 3.33Å; L217-E242 HydrophobicContact CD1-CB 4.49Å; L217-E242 HydrophobicContact CD2-CG 4.47Å; S240-E242 PolarHBondContact O-N 3.4Å; S240-E242 VanDerWaalsContact O-N 3.1Å
243K77.8Confident89Confident187 Ų18752.3 Ų52.381%0.81325%0.252SS*.  trans-99.9-7.9177.8-64.5-175.1179.3-174.40113.9D241 P245D241-K243 PolarHBondContact O-N 2.99Å; K243-P245 WeakPolarHBondContact O-CD 3.39Å
244T88.1Confident89Confident78 Ų7853.4 Ų53.448%0.47926%0.259SS..PPolyproline II helixtrans-81.2118.5-177.7-54.10000109R180R180-T244 PolarHBondContact NH1-O 3.49Å
245P93Very high88.8Confident45 Ų4558.3 Ų58.329%0.29228%0.279SS..PPolyproline II helixtrans-68.6168.8177.528.6-34.4000111.8N139 L140 R180 K243N139-P245 HydrophobicContact CB-CB 3.69Å; N139-P245 HydrophobicContact CB-CG 3.78Å; L140-P245 CarbonylContact O-C 3.48Å; L140-P245 WeakPolarHBondContact O-CA 3.43Å; L140-P245 VanDerWaalsContact O-CB 3.24Å; L140-P245 WeakPolarHBondContact O-CB 3.5Å; R180-P245 PolarHBondContact NH2-O 2.79Å; K243-P245 WeakPolarHBondContact O-CD 3.39Å
246F94.9Very high88.8Confident19 Ų1956.3 Ų56.38%0.08327%0.268CS..EExtended strand (participates in β ladder)trans-89.4128.9157.3-73.9-70000109.2N139 L140 V142 P176 V177 R180 P219 L248N139-F246 CarbonylContact C-O 3.54Å; L140-F246 HydrophobicContact CB-CB 4.37Å; L140-F246 PolarHBondContact N-O 3.14Å; L140-F246 PolarHBondContact O-N 3.38Å; V142-F246 HydrophobicContact CG1-CE2 4.31Å; V142-F246 HydrophobicContact CG2-CD2 3.37Å; V142-F246 HydrophobicContact CG2-CE2 3.5Å; V142-F246 VanDerWaalsContact CG2-CE2 3.5Å; V142-F246 HydrophobicContact CG2-CG 4.33Å; P176-F246 HydrophobicContact CB-CD1 4.09Å; P176-F246 HydrophobicContact CB-CE1 3.6Å; P176-F246 HydrophobicContact CB-CZ 4.44Å; V177-F246 HydrophobicContact CG2-CE2 3.84Å; V177-F246 HydrophobicContact CG2-CZ 3.9Å; R180-F246 HydrophobicContact CB-CE1 4.37Å; R180-F246 HydrophobicContact CB-CZ 3.68Å; R180-F246 HydrophobicContact CG-CZ 4.02Å; P219-F246 HydrophobicContact CG-CD2 3.9Å; P219-F246 HydrophobicContact CG-CE2 4.27Å; F246-L248 PolarHBondContact O-N 2.77Å
247E95.3Very high88.8Confident75 Ų7555.3 Ų55.335%0.3526%0.263SS..EExtended strand (participates in β ladder)trans-76.1115.9171.2-69.7179.3104.400109.2G123 K124 M136G123-E247 CarbonylContact C-O 3.58Å; G123-E247 WeakPolarHBondContact CA-O 3.14Å; K124-E247 HydrophobicContact CB-CB 3.79Å; K124-E247 HydrophobicContact CD-CB 4.24Å; K124-E247 WeakPolarHBondContact CD-OE2 3.4Å; K124-E247 WeakPolarHBondContact CE-OE2 3.37Å; K124-E247 PolarHBondContact N-O 2.96Å; K124-E247 IonicContact NZ-OE1 3.91Å; K124-E247 PolarHBondContact NZ-OE1 3.12Å; K124-E247 IonicContact NZ-OE2 2.8Å; K124-E247 PolarHBondContact NZ-OE2 3.43Å; M136-E247 HydrophobicContact CE-CB 3.7Å; M136-E247 HydrophobicContact CE-CG 3.71Å; M136-E247 HydrophobicContact SD-CB 3.72Å; M136-E247 HydrophobicContact SD-CG 4.17Å
248L96.9Very high88.7Confident15 Ų1561.1 Ų61.18%0.07929%0.29CS..EExtended strand (participates in β ladder)trans-101.9138.9175.2-170.877.9000109.7H81 I121 L137 E138 L140 F246H81-L248 HydrophobicContact CB-CD2 4.36Å; H81-L248 VanDerWaalsContact CE1-CD2 3.4Å; H81-L248 WeakPolarHBondContact CE1-CD2 3.47Å; H81-L248 WeakPolarHBondContact ND1-CD2 2.92Å; I121-L248 HydrophobicContact CG2-CD1 3.88Å; I121-L248 HydrophobicContact CG2-CD2 3.91Å; I121-L248 HydrophobicContact CG2-CG 3.87Å; L137-L248 WeakPolarHBondContact CA-O 3.46Å; L137-L248 PolarHBondContact N-O 3.32Å; E138-L248 PolarHBondContact N-O 3.21Å; E138-L248 VanDerWaalsContact N-O 3.15Å; E138-L248 PolarHBondContact O-N 2.88Å; L140-L248 HydrophobicContact CD1-CB 3.96Å; L140-L248 HydrophobicContact CD1-CD1 4.13Å; L140-L248 HydrophobicContact CD1-CD2 4.16Å; L140-L248 HydrophobicContact CD1-CG 4.31Å; L140-L248 HydrophobicContact CD2-CB 4.39Å; L140-L248 HydrophobicContact CD2-CD2 4.28Å; L140-L248 HydrophobicContact CG-CB 3.95Å; F246-L248 PolarHBondContact O-N 2.77Å
249G97.2Very high89.4Confident0 Ų052.9 Ų52.90%025%0.251CS..EExtended strand (participates in β ladder)trans-157.8177.1178.500000113.4I121 A122 F134 S135I121-G249 CarbonylContact C-O 3.57Å; I121-G249 WeakPolarHBondContact CA-O 3.06Å; A122-G249 PolarHBondContact N-O 3.23Å; A122-G249 PolarHBondContact O-N 2.79Å; F134-G249 VanDerWaalsContact CZ-N 3.26Å; S135-G249 CarbonylContact O-C 3.51Å; S135-G249 WeakPolarHBondContact O-CA 3.5Å
250V98.2Very high90.7Very high1 Ų150.4 Ų50.41%0.00625%0.249CC..EExtended strand (participates in β ladder)trans-93.7134.4168.7-175.30000108.9I85 L119 A120 I121 F134 S135 L137 F265 W266 L269I85-V250 HydrophobicContact CD1-CG2 4.35Å; L119-V250 HydrophobicContact CB-CG1 4.34Å; L119-V250 HydrophobicContact CD2-CG1 3.66Å; A120-V250 CarbonylContact O-C 3.5Å; A120-V250 VanDerWaalsContact O-CA 3.26Å; A120-V250 WeakPolarHBondContact O-CA 3.27Å; I121-V250 HydrophobicContact CG1-CG2 4.39Å; F134-V250 CarbonylContact C-O 3.59Å; F134-V250 WeakPolarHBondContact CA-O 3.26Å; S135-V250 PolarHBondContact N-O 2.67Å; S135-V250 PolarHBondContact O-N 2.8Å; L137-V250 HydrophobicContact CD1-CG2 3.8Å; L137-V250 HydrophobicContact CD2-CG2 4.29Å; L137-V250 HydrophobicContact CG-CG2 4.16Å; V250-F265 HydrophobicContact CG1-CE1 4.19Å; V250-W266 HydrophobicContact CB-CZ3 4.48Å; V250-W266 HydrophobicContact CG1-CE3 4.45Å; V250-W266 HydrophobicContact CG1-CZ3 4.02Å; V250-W266 VanDerWaalsContact O-CH2 3.3Å; V250-W266 WeakPolarHBondContact O-CH2 3.28Å; V250-L269 HydrophobicContact CB-CD1 3.66Å; V250-L269 HydrophobicContact CB-CD2 4.39Å; V250-L269 HydrophobicContact CG1-CD1 4.03Å; V250-L269 HydrophobicContact CG2-CD1 3.9Å; V250-L269 HydrophobicContact CG2-CD2 3.7Å; V250-L269 HydrophobicContact CG2-CG 4.47Å
251C97.6Very high92.2Very high0 Ų050.4 Ų50.40%025%0.247CC..EExtended strand (participates in β ladder)trans-120.4151.7173.6650000112.8M109 L119 A120 V132 A133 F134M109-C251 HydrophobicContact CE-CB 4.14Å; M109-C251 HydrophobicContact SD-CB 4.21Å; L119-C251 CarbonylContact C-O 3.59Å; L119-C251 VanDerWaalsContact CA-O 3.27Å; L119-C251 WeakPolarHBondContact CA-O 3.39Å; A120-C251 PolarHBondContact N-O 2.64Å; A120-C251 PolarHBondContact O-N 3.45Å; V132-C251 HydrophobicContact CG1-CB 3.69Å; A133-C251 WeakPolarHBondContact O-CA 3.46Å; A133-C251 VanDerWaalsContact O-CB 3.31Å; A133-C251 WeakPolarHBondContact O-CB 3.46Å; F134-C251 HydrophobicContact CD2-CB 4.03Å
252A98.1Very high93.5Very high0 Ų046.2 Ų46.20%023%0.225CC..EExtended strand (participates in β ladder)trans-149.4160.2175.600000109.6V112 L119 A133 K254 L257 I262 W266V112-A252 VanDerWaalsContact CG1-C 3.46Å; L119-A252 HydrophobicContact CD2-CB 3.91Å; A133-A252 PolarHBondContact N-O 3.42Å; A133-A252 PolarHBondContact O-N 3.05Å; A133-A252 VanDerWaalsContact O-N 3.13Å; A252-K254 PolarHBondContact O-N 2.73Å; A252-L257 HydrophobicContact CB-CD2 3.9Å; A252-I262 HydrophobicContact CB-CG2 4.12Å; A252-W266 HydrophobicContact CB-CE3 3.92Å; A252-W266 HydrophobicContact CB-CH2 4.32Å; A252-W266 HydrophobicContact CB-CZ3 3.53Å
253Q97.8Very high94.7Very high11 Ų1149.4 Ų49.45%0.05124%0.239CC..EExtended strand (participates in β ladder)trans-67.5127.8170.6-62.2-175.16.400109.8V112 V113 K255 R256 L257V112-Q253 HydrophobicContact CG1-CG 4.04Å; V112-Q253 WeakPolarHBondContact O-CG 3.38Å; V112-Q253 PolarHBondContact O-NE2 3.08Å; V113-Q253 PolarHBondContact O-NE2 3.15Å; Q253-K255 HydrophobicContact CB-CG 4.28Å; Q253-K255 PolarHBondContact O-N 3.46Å; Q253-R256 HydrophobicContact CB-CB 4.13Å; Q253-R256 HydrophobicContact CB-CG 3.84Å; Q253-R256 WeakPolarHBondContact O-CA 3.31Å; Q253-R256 PolarHBondContact O-N 3.36Å; Q253-R256 VanDerWaalsContact OE1-CD 3.26Å; Q253-L257 PolarHBondContact O-N 2.81Å
254K97.3Very high95.5Very high112 Ų11241.2 Ų41.249%0.48721%0.206SC..G310 helixtrans-53.4-41.6178.7-76.3-178.6-177.8165.50112.3G130 A131 V132 A133 A252 R256 L257G130-K254 WeakPolarHBondContact O-CD 3.48Å; G130-K254 WeakPolarHBondContact O-CE 3.45Å; G130-K254 PolarHBondContact O-NZ 3.41Å; A131-K254 PolarHBondContact O-N 3.07Å; V132-K254 VanDerWaalsContact O-CE 3.22Å; V132-K254 WeakPolarHBondContact O-CE 3.36Å; A133-K254 HydrophobicContact CB-CG 3.9Å; A252-K254 PolarHBondContact O-N 2.73Å; K254-R256 PolarHBondContact O-N 3.19Å; K254-L257 PolarHBondContact O-N 3Å
255K95.8Very high95.9Very high120 Ų12037.6 Ų37.652%0.52218%0.184SC..G310 helixtrans-64-19.5179.470.1177.2178.6176.30113.1Q253 H258Q253-K255 HydrophobicContact CB-CG 4.28Å; Q253-K255 PolarHBondContact O-N 3.46Å; K255-H258 PolarHBondContact O-CE1 2.98Å; K255-H258 PolarHBondContact O-ND1 3.19Å
256R96Very high96.1Very high22 Ų2236.5 Ų36.58%0.08317%0.174CC..G310 helixtrans-103.4-3.6-177-57.9-170.264.8-155.6-8.5113.6D118 Q253 K254 H258 E259 I262D118-R256 IonicContact OD1-CZ 2.66Å; D118-R256 IonicContact OD1-NH1 3.75Å; D118-R256 PolarHBondContact OD1-NH1 3.33Å; D118-R256 IonicContact OD1-NH2 3.83Å; D118-R256 PolarHBondContact OD1-NH2 3.43Å; Q253-R256 HydrophobicContact CB-CB 4.13Å; Q253-R256 HydrophobicContact CB-CG 3.84Å; Q253-R256 WeakPolarHBondContact O-CA 3.31Å; Q253-R256 PolarHBondContact O-N 3.36Å; Q253-R256 VanDerWaalsContact OE1-CD 3.26Å; K254-R256 PolarHBondContact O-N 3.19Å; R256-H258 PolarHBondContact O-N 2.92Å; R256-H258 VanDerWaalsContact O-N 3.09Å; R256-E259 HydrophobicContact CB-CG 4.2Å; R256-E259 WeakPolarHBondContact CB-OE1 3.47Å; R256-E259 WeakPolarHBondContact CG-OE1 3.37Å; R256-E259 IonicContact CZ-OE1 3.74Å; R256-E259 IonicContact CZ-OE2 2.85Å; R256-E259 IonicContact NE-OE1 2.79Å; R256-E259 PolarHBondContact NE-OE1 3.47Å; R256-E259 IonicContact NE-OE2 2.72Å; R256-E259 PolarHBondContact NE-OE2 3.23Å; R256-E259 IonicContact NH2-OE1 3.43Å; R256-E259 IonicContact NH2-OE2 3.15Å; R256-E259 PolarHBondContact NH2-OE2 3.42Å; R256-E259 VanDerWaalsContact O-CB 3.3Å; R256-E259 WeakPolarHBondContact O-CB 3.33Å; R256-E259 WeakPolarHBondContact O-CG 3.43Å; R256-E259 PolarHBondContact O-N 3.08Å; R256-I262 HydrophobicContact CB-CD1 3.73Å
257L95.5Very high96.1Very high46 Ų4640.9 Ų40.924%0.24119%0.193CC..THydrogen-bonded Turntrans-62.3-19.4-179.8-77.1-179.8000114.3A133 A252 Q253 K254 E259 I262 E263 W266A133-L257 HydrophobicContact CB-CD1 3.61Å; A133-L257 HydrophobicContact CB-CD2 4.36Å; A133-L257 HydrophobicContact CB-CG 4.23Å; A252-L257 HydrophobicContact CB-CD2 3.9Å; Q253-L257 PolarHBondContact O-N 2.81Å; K254-L257 PolarHBondContact O-N 3Å; L257-E259 VanDerWaalsContact C-N 3.33Å; L257-I262 HydrophobicContact CD2-CG2 4.12Å; L257-E263 VanDerWaalsContact O-CB 3.3Å; L257-E263 WeakPolarHBondContact O-CB 3.48Å; L257-W266 HydrophobicContact CD2-CB 4.4Å; L257-W266 HydrophobicContact CD2-CD2 3.46Å; L257-W266 VanDerWaalsContact CD2-CD2 3.46Å; L257-W266 HydrophobicContact CD2-CE3 3.69Å; L257-W266 HydrophobicContact CD2-CG 3.8Å; L257-W266 HydrophobicContact CD2-CZ2 4.33Å; L257-W266 HydrophobicContact CD2-CZ3 4.21Å
258H93.1Very high95.9Very high133 Ų13337.8 Ų37.862%0.61618%0.179SC*.THydrogen-bonded Turntrans-85.4-6.1177.172.3-83.2000113K255 R256K255-H258 PolarHBondContact O-CE1 2.98Å; K255-H258 PolarHBondContact O-ND1 3.19Å; R256-H258 PolarHBondContact O-N 2.92Å; R256-H258 VanDerWaalsContact O-N 3.09Å
259E94.6Very high95.7Very high19 Ų1937.1 Ų37.19%0.08918%0.175CC..SBendtrans-72.3131.7178.4-57.4-178.8-165.400109.2Q53 R256 L257 L261 I262 E263Q53-E259 PolarHBondContact OE1-OE1 3.15Å; Q53-E259 PolarHBondContact OE1-OE2 3.39Å; R256-E259 HydrophobicContact CB-CG 4.2Å; R256-E259 WeakPolarHBondContact CB-OE1 3.47Å; R256-E259 WeakPolarHBondContact CG-OE1 3.37Å; R256-E259 IonicContact CZ-OE1 3.74Å; R256-E259 IonicContact CZ-OE2 2.85Å; R256-E259 IonicContact NE-OE1 2.79Å; R256-E259 PolarHBondContact NE-OE1 3.47Å; R256-E259 IonicContact NE-OE2 2.72Å; R256-E259 PolarHBondContact NE-OE2 3.23Å; R256-E259 IonicContact NH2-OE1 3.43Å; R256-E259 IonicContact NH2-OE2 3.15Å; R256-E259 PolarHBondContact NH2-OE2 3.42Å; R256-E259 VanDerWaalsContact O-CB 3.3Å; R256-E259 WeakPolarHBondContact O-CB 3.33Å; R256-E259 WeakPolarHBondContact O-CG 3.43Å; R256-E259 PolarHBondContact O-N 3.08Å; L257-E259 VanDerWaalsContact C-N 3.33Å; E259-L261 VanDerWaalsContact C-N 3.33Å; E259-L261 PolarHBondContact O-N 3.01Å; E259-L261 VanDerWaalsContact O-N 3.11Å; E259-I262 HydrophobicContact CB-CB 4.45Å; E259-I262 HydrophobicContact CB-CD1 4.27Å; E259-I262 HydrophobicContact CB-CG1 4.46Å; E259-I262 PolarHBondContact O-N 2.91Å; E259-I262 WeakPolarHBondContact OE2-CD1 3.31Å; E259-E263 WeakPolarHBondContact O-CB 3.48Å; E259-E263 PolarHBondContact O-N 3.02Å
260P93.4Very high94.8Very high55 Ų5541 Ų4136%0.35720%0.201SC..Hα-helixtrans-53-41.5-167.8-31.335.6000115.6L65 A264L65-P260 HydrophobicContact CD1-CB 3.64Å; P260-A264 WeakPolarHBondContact O-CB 3.46Å; P260-A264 PolarHBondContact O-N 3.36Å
261L94.7Very high93.4Very high23 Ų2345.5 Ų45.512%0.1222%0.224CC..Hα-helixtrans-69-42.8179.7-67.3171.5000112.4L65 E68 L69 V96 E259 F265L65-L261 HydrophobicContact CD1-CD2 3.85Å; L65-L261 HydrophobicContact CD1-CG 4.27Å; L65-L261 HydrophobicContact CD2-CD2 3.93Å; L65-L261 HydrophobicContact CG-CD2 3.66Å; E68-L261 WeakPolarHBondContact O-CD1 3.43Å; L69-L261 HydrophobicContact CD1-CB 3.9Å; V96-L261 HydrophobicContact CB-CD2 4.32Å; V96-L261 HydrophobicContact CG1-CD2 3.84Å; V96-L261 HydrophobicContact CG2-CD2 3.46Å; V96-L261 VanDerWaalsContact CG2-CD2 3.46Å; E259-L261 VanDerWaalsContact C-N 3.33Å; E259-L261 PolarHBondContact O-N 3.01Å; E259-L261 VanDerWaalsContact O-N 3.11Å; L261-F265 PolarHBondContact O-N 3.27Å; L261-F265 VanDerWaalsContact O-N 3.13Å
262I96.6Very high91.4Very high1 Ų149.6 Ų49.61%0.00524%0.244CC..Hα-helixtrans-70-44.9179.5-62.5175.5000109.5L69 D118 L119 A252 R256 L257 E259 A264 F265 W266L69-I262 HydrophobicContact CD1-CG1 4.21Å; D118-I262 HydrophobicContact CB-CD1 3.92Å; D118-I262 HydrophobicContact CB-CG1 4Å; L119-I262 HydrophobicContact CD2-CG2 4.3Å; L119-I262 HydrophobicContact CG-CG2 4.48Å; A252-I262 HydrophobicContact CB-CG2 4.12Å; R256-I262 HydrophobicContact CB-CD1 3.73Å; L257-I262 HydrophobicContact CD2-CG2 4.12Å; E259-I262 HydrophobicContact CB-CB 4.45Å; E259-I262 HydrophobicContact CB-CD1 4.27Å; E259-I262 HydrophobicContact CB-CG1 4.46Å; E259-I262 PolarHBondContact O-N 2.91Å; E259-I262 WeakPolarHBondContact OE2-CD1 3.31Å; I262-A264 VanDerWaalsContact C-N 3.35Å; I262-A264 PolarHBondContact O-N 3.46Å; I262-F265 PolarHBondContact O-N 2.93Å; I262-W266 VanDerWaalsContact O-CB 3.24Å; I262-W266 WeakPolarHBondContact O-CB 3.37Å; I262-W266 PolarHBondContact O-N 3.25Å
263E96.3Very high88.9Confident76 Ų7659.9 Ų59.936%0.35529%0.288SS..Hα-helixtrans-60-45.4178.2-166.2-172.2-175.900111.4L257 E259 F265 W266 K267L257-E263 VanDerWaalsContact O-CB 3.3Å; L257-E263 WeakPolarHBondContact O-CB 3.48Å; E259-E263 WeakPolarHBondContact O-CB 3.48Å; E259-E263 PolarHBondContact O-N 3.02Å; E263-F265 PolarHBondContact O-N 3.1Å; E263-W266 PolarHBondContact O-N 3.5Å; E263-K267 HydrophobicContact CG-CD 4.26Å; E263-K267 WeakPolarHBondContact O-CG 3.42Å; E263-K267 PolarHBondContact O-N 3.01Å; E263-K267 WeakPolarHBondContact OE1-CE 3.4Å; E263-K267 IonicContact OE1-NZ 2.67Å; E263-K267 PolarHBondContact OE1-NZ 3.09Å; E263-K267 IonicContact OE2-NZ 3.21Å
264A94.7Very high88.4Confident14 Ų1462.3 Ų62.312%0.11630%0.3CS..Hα-helixtrans-57.2-47.8175.900000111.6L65 F89 P260 I262L65-A264 HydrophobicContact CD2-CB 3.57Å; F89-A264 HydrophobicContact CE2-CB 4.13Å; P260-A264 WeakPolarHBondContact O-CB 3.46Å; P260-A264 PolarHBondContact O-N 3.36Å; I262-A264 VanDerWaalsContact C-N 3.35Å; I262-A264 PolarHBondContact O-N 3.46Å
265F97.1Very high88Confident3 Ų359.7 Ų59.71%0.01329%0.29CS..Hα-helixtrans-66.2-39.5176.4-167-80.4000112.2L69 I71 I85 L86 F89 L119 V250 L261 I262 E263 K267 I268 L269L69-F265 HydrophobicContact CD2-CB 4.05Å; L69-F265 HydrophobicContact CD2-CD2 3.55Å; L69-F265 HydrophobicContact CD2-CE2 4.28Å; L69-F265 HydrophobicContact CD2-CG 4.06Å; I71-F265 HydrophobicContact CD1-CD2 4.24Å; I71-F265 HydrophobicContact CD1-CE2 3.51Å; I71-F265 HydrophobicContact CD1-CZ 3.91Å; I85-F265 HydrophobicContact CG2-CE1 3.81Å; I85-F265 HydrophobicContact CG2-CE2 3.96Å; I85-F265 HydrophobicContact CG2-CZ 3.36Å; L86-F265 HydrophobicContact CD2-CE2 3.69Å; L86-F265 HydrophobicContact CD2-CZ 4.31Å; F89-F265 HydrophobicContact CB-CD2 4.38Å; F89-F265 HydrophobicContact CD1-CD2 4.2Å; F89-F265 HydrophobicContact CD2-CB 4.05Å; F89-F265 AromaticContact CD2-CD2 3.66Å; F89-F265 HydrophobicContact CD2-CD2 3.66Å; F89-F265 HydrophobicContact CD2-CG 4.22Å; F89-F265 HydrophobicContact CE1-CD2 4.43Å; F89-F265 HydrophobicContact CE2-CB 3.76Å; F89-F265 AromaticContact CE2-CD2 3.93Å; F89-F265 HydrophobicContact CE2-CD2 3.93Å; F89-F265 HydrophobicContact CE2-CG 4.32Å; F89-F265 AromaticContact CG-CD2 3.8Å; F89-F265 HydrophobicContact CG-CD2 3.8Å; F89-F265 HydrophobicContact CG-CE2 4.34Å; F89-F265 HydrophobicContact CZ-CB 4.45Å; F89-F265 HydrophobicContact CZ-CD2 4.31Å; L119-F265 HydrophobicContact CD1-CB 3.72Å; L119-F265 HydrophobicContact CD1-CD1 3.54Å; L119-F265 HydrophobicContact CD1-CD2 4.18Å; L119-F265 HydrophobicContact CD1-CE1 4.14Å; L119-F265 HydrophobicContact CD1-CG 3.55Å; L119-F265 HydrophobicContact CD2-CD1 3.95Å; L119-F265 HydrophobicContact CD2-CE1 4.44Å; L119-F265 HydrophobicContact CG-CD1 4.32Å; V250-F265 HydrophobicContact CG1-CE1 4.19Å; L261-F265 PolarHBondContact O-N 3.27Å; L261-F265 VanDerWaalsContact O-N 3.13Å; I262-F265 PolarHBondContact O-N 2.93Å; E263-F265 PolarHBondContact O-N 3.1Å; F265-K267 PolarHBondContact O-N 3.36Å; F265-I268 WeakPolarHBondContact O-CG1 3.35Å; F265-I268 PolarHBondContact O-N 3.42Å; F265-L269 HydrophobicContact CD1-CD2 4.46Å; F265-L269 HydrophobicContact CE1-CD2 4.1Å
266W96.6Very high87.5Confident21 Ų2156.3 Ų56.38%0.0828%0.277CS..Hα-helixtrans-66.6-37.3-176.7-160.5-91.9000112.3L119 A133 V250 A252 L257 I262 E263 I268 L269 H272L119-W266 HydrophobicContact CD2-CE3 3.65Å; L119-W266 HydrophobicContact CD2-CZ3 3.92Å; A133-W266 HydrophobicContact CB-CH2 3.82Å; A133-W266 HydrophobicContact CB-CZ2 3.75Å; V250-W266 HydrophobicContact CB-CZ3 4.48Å; V250-W266 HydrophobicContact CG1-CE3 4.45Å; V250-W266 HydrophobicContact CG1-CZ3 4.02Å; V250-W266 VanDerWaalsContact O-CH2 3.3Å; V250-W266 WeakPolarHBondContact O-CH2 3.28Å; A252-W266 HydrophobicContact CB-CE3 3.92Å; A252-W266 HydrophobicContact CB-CH2 4.32Å; A252-W266 HydrophobicContact CB-CZ3 3.53Å; L257-W266 HydrophobicContact CD2-CB 4.4Å; L257-W266 HydrophobicContact CD2-CD2 3.46Å; L257-W266 VanDerWaalsContact CD2-CD2 3.46Å; L257-W266 HydrophobicContact CD2-CE3 3.69Å; L257-W266 HydrophobicContact CD2-CG 3.8Å; L257-W266 HydrophobicContact CD2-CZ2 4.33Å; L257-W266 HydrophobicContact CD2-CZ3 4.21Å; I262-W266 VanDerWaalsContact O-CB 3.24Å; I262-W266 WeakPolarHBondContact O-CB 3.37Å; I262-W266 PolarHBondContact O-N 3.25Å; E263-W266 PolarHBondContact O-N 3.5Å; W266-I268 VanDerWaalsContact C-N 3.28Å; W266-I268 PolarHBondContact O-N 2.69Å; W266-L269 HydrophobicContact CD2-CD1 4.19Å; W266-L269 HydrophobicContact CE3-CD1 4.13Å; W266-L269 WeakPolarHBondContact O-CB 3.36Å; W266-L269 WeakPolarHBondContact O-CG 3.41Å; W266-L269 PolarHBondContact O-N 3.06Å; W266-H272 AromaticContact CD1-CD2 3.55Å; W266-H272 AromaticContact CD1-CE1 3.83Å; W266-H272 AromaticContact CD1-NE2 3.45Å; W266-H272 AromaticContact CE2-NE2 3.77Å; W266-H272 AromaticContact NE1-CD2 3.44Å; W266-H272 PolarHBondContact NE1-CD2 3.27Å; W266-H272 AromaticContact NE1-CE1 3.38Å; W266-H272 PolarHBondContact NE1-CE1 3.45Å; W266-H272 AromaticContact NE1-NE2 2.86Å; W266-H272 PolarHBondContact NE1-NE2 3.09Å; W266-H272 PolarHBondContact O-CD2 2.61Å
267K94.5Very high87Confident111 Ų11158.4 Ų58.448%0.48329%0.289SS..Hα-helixtrans-67.2-23.7178.7-76.7173.9179.3166.10114E263 F265 L269E263-K267 HydrophobicContact CG-CD 4.26Å; E263-K267 WeakPolarHBondContact O-CG 3.42Å; E263-K267 PolarHBondContact O-N 3.01Å; E263-K267 WeakPolarHBondContact OE1-CE 3.4Å; E263-K267 IonicContact OE1-NZ 2.67Å; E263-K267 PolarHBondContact OE1-NZ 3.09Å; E263-K267 IonicContact OE2-NZ 3.21Å; F265-K267 PolarHBondContact O-N 3.36Å; K267-L269 VanDerWaalsContact C-N 3.29Å
268I91.9Very high86.5Confident11 Ų1159.1 Ų59.16%0.05629%0.292CS..THydrogen-bonded Turntrans-82.7-7.9179.265151.9000113.4I85 R88 F89 E92 F265 W266I85-I268 HydrophobicContact CG2-CD1 3.86Å; I85-I268 VanDerWaalsContact O-CD1 3.28Å; I85-I268 WeakPolarHBondContact O-CD1 3.24Å; R88-I268 HydrophobicContact CB-CD1 4.33Å; R88-I268 HydrophobicContact CG-CB 4.27Å; R88-I268 HydrophobicContact CG-CD1 4.39Å; R88-I268 HydrophobicContact CG-CG2 4.28Å; R88-I268 PolarHBondContact NH1-O 3Å; F89-I268 HydrophobicContact CB-CD1 3.59Å; F89-I268 HydrophobicContact CD2-CD1 4.11Å; F89-I268 HydrophobicContact CG-CD1 4.32Å; E92-I268 WeakPolarHBondContact OE2-CG2 3.49Å; F265-I268 WeakPolarHBondContact O-CG1 3.35Å; F265-I268 PolarHBondContact O-N 3.42Å; W266-I268 VanDerWaalsContact C-N 3.28Å; W266-I268 PolarHBondContact O-N 2.69Å
269L93.8Very high86.1Confident1 Ų154.2 Ų54.21%0.00527%0.27CS..SBendtrans-71.3152.1-179.9-57.5177.5000111.6I85 L137 V250 F265 W266 K267 N271 H272I85-L269 HydrophobicContact CD1-CD2 4.26Å; I85-L269 HydrophobicContact CG2-CD2 4.06Å; L137-L269 HydrophobicContact CD2-CD2 4.49Å; V250-L269 HydrophobicContact CB-CD1 3.66Å; V250-L269 HydrophobicContact CB-CD2 4.39Å; V250-L269 HydrophobicContact CG1-CD1 4.03Å; V250-L269 HydrophobicContact CG2-CD1 3.9Å; V250-L269 HydrophobicContact CG2-CD2 3.7Å; V250-L269 HydrophobicContact CG2-CG 4.47Å; F265-L269 HydrophobicContact CD1-CD2 4.46Å; F265-L269 HydrophobicContact CE1-CD2 4.1Å; W266-L269 HydrophobicContact CD2-CD1 4.19Å; W266-L269 HydrophobicContact CE3-CD1 4.13Å; W266-L269 WeakPolarHBondContact O-CB 3.36Å; W266-L269 WeakPolarHBondContact O-CG 3.41Å; W266-L269 PolarHBondContact O-N 3.06Å; K267-L269 VanDerWaalsContact C-N 3.29Å; L269-N271 PolarHBondContact O-N 3.1Å; L269-H272 PolarHBondContact O-N 3.43Å; L269-H272 VanDerWaalsContact O-N 3.07Å
270P76.9Confident85.5Confident82 Ų8256.7 Ų56.753%0.53228%0.283SS..G310 helixtrans-54.6-31.9-171.7-2734.4000115.5L137L137-P270 HydrophobicContact CD2-CG 4.18Å
271N68.6Low84.9Confident94 Ų9456.8 Ų56.850%0.50328%0.277SS..G310 helixtrans-895.6-177.1-55.4-42.8000114.7S135 M136 L269S135-N271 PolarHBondContact OG-ND2 3.36Å; M136-N271 PolarHBondContact N-ND2 2.9Å; M136-N271 PolarHBondContact O-ND2 2.92Å; L269-N271 PolarHBondContact O-N 3.1Å
272H56.9Low84Confident87 Ų8759.7 Ų59.740%0.40329%0.29SS..G310 helixtrans-119.719.9-176.7-70.1-67.5000113.9W266 L269W266-H272 AromaticContact CD1-CD2 3.55Å; W266-H272 AromaticContact CD1-CE1 3.83Å; W266-H272 AromaticContact CD1-NE2 3.45Å; W266-H272 AromaticContact CE2-NE2 3.77Å; W266-H272 AromaticContact NE1-CD2 3.44Å; W266-H272 PolarHBondContact NE1-CD2 3.27Å; W266-H272 AromaticContact NE1-CE1 3.38Å; W266-H272 PolarHBondContact NE1-CE1 3.45Å; W266-H272 AromaticContact NE1-NE2 2.86Å; W266-H272 PolarHBondContact NE1-NE2 3.09Å; W266-H272 PolarHBondContact O-CD2 2.61Å; L269-H272 PolarHBondContact O-N 3.43Å; L269-H272 VanDerWaalsContact O-N 3.07Å
273K44.6Very low82.9Confident215 Ų21565 Ų6594%0.93532%0.316SS*.  trans-90.30163.7-70.9-173.3179-177.30110.4

Retrieved 273 of 273 residues in 234.9 ms (Link to these results)

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