A0A087XDH3_POEFO Loading...

F-box/LRR-repeat protein 15

Substrate recognition component of a SCF (SKP1-CUL1-F-box protein) E3 ubiquitin-protein ligase complex which mediates the ubiquitination and subsequent proteasomal degradation of target proteins. Acts as a positive regulator of the BMP signaling pathway. Required for dorsal/ventral pattern formation.

AlphaFold DB (A0A3B3VG46), UniProt , Accession A0A087XDH3, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 292 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
1M42.8Very low61.4Low235 Ų235154.1 Ų154.1100%1.15880%0.803SS**  087.30-118.6177.671.400103.2
2D49.1Very low63.7Low157 Ų157148.8 Ų148.884%0.8478%0.775SS**  trans-93.8115-165.4-54.5-30.5000107.5
3E50.2Low65.8Low196 Ų196139 Ų13992%0.91672%0.724SS**  trans-135.673.2161.3-76.6-166.2168.900107.7G5E3-G5 PolarHBondContact O-N 3.27Å
4E52Low67.6Low193 Ų193136.1 Ų136.190%0.90271%0.71SS**  trans-73.4104.7161-80.6-177.115900107.9S6E4-S6 PolarHBondContact O-N 3.01Å
5G55.3Low69.2Low63 Ų63130.9 Ų130.965%0.64968%0.683SS**  trans-58.7106.5172.300000110.7E3 W7E3-G5 PolarHBondContact O-N 3.27Å; G5-W7 PolarHBondContact O-N 3.06Å
6S56.2Low70.7Confident107 Ų107126.9 Ų126.975%0.74867%0.668SS**  trans-63.7100.5170.6175.60000109.3E4 Q8E4-S6 PolarHBondContact O-N 3.01Å; S6-Q8 PolarHBondContact O-N 3.02Å
7W61.3Low72Confident240 Ų240123.8 Ų123.891%0.90965%0.645SS**  trans-66.4103.2166.4-63.993.3000107.6G5 T9G5-W7 PolarHBondContact O-N 3.06Å; W7-T9 PolarHBondContact O-N 3.07Å
8Q66.6Low73Confident181 Ų181123.9 Ų123.985%0.84664%0.642SS**  trans-61.3113.3171.7-84176.9-33.300109S6 C10S6-Q8 PolarHBondContact O-N 3.02Å; Q8-C10 PolarHBondContact O-N 3.12Å; Q8-C10 VanDerWaalsContact O-N 3.12Å
9T75.3Confident74Confident110 Ų110123.8 Ų123.868%0.67564%0.642SS**  trans-71.5102.3172.451.50000108.5W7W7-T9 PolarHBondContact O-N 3.07Å
10C79.1Confident74.8Confident94 Ų94120.1 Ų120.164%0.63563%0.625SS**  trans-81115.4172.5-170.40000109.1Q8Q8-C10 PolarHBondContact O-N 3.12Å; Q8-C10 VanDerWaalsContact O-N 3.12Å
11H87.8Confident75.6Confident119 Ų119114.5 Ų114.555%0.55160%0.596SS**  trans-85.3155.3172.3-59.9-75000110.4L13 D14H11-L13 PolarHBondContact O-N 3.37Å; H11-D14 WeakPolarHBondContact CA-OD2 3.3Å; H11-D14 VanDerWaalsContact CB-OD2 3.3Å; H11-D14 WeakPolarHBondContact CB-OD2 3.29Å; H11-D14 IonicContact CD2-OD2 2.72Å; H11-D14 IonicContact CG-OD2 3.51Å; H11-D14 PolarHBondContact N-OD2 3.35Å; H11-D14 WeakPolarHBondContact O-CB 3.41Å; H11-D14 PolarHBondContact O-N 3.29Å
12L88.4Confident77.8Confident90 Ų90104.2 Ų104.247%0.47155%0.546SS..G310 helixtrans-53.5-41.7-178.7178.666.6000112.6D14 L15 L21 I25 F44L12-D14 PolarHBondContact O-N 3.36Å; L12-L15 HydrophobicContact CD1-CD1 4.27Å; L12-L15 WeakPolarHBondContact O-CB 3.48Å; L12-L15 PolarHBondContact O-N 3.05Å; L12-L21 HydrophobicContact CD1-CD2 3.88Å; L12-L21 HydrophobicContact CG-CD2 4.27Å; L12-I25 HydrophobicContact CD1-CD1 3.82Å; L12-F44 HydrophobicContact CD2-CZ 4.47Å
13L91.1Very high79.7Confident22 Ų2299 Ų9912%0.11552%0.521CS..G310 helixtrans-78.5-4.9-176-64.5174.3000113.8H11 L15 W17 L21 Q43 F44 L47H11-L13 PolarHBondContact O-N 3.37Å; L13-L15 VanDerWaalsContact C-N 3.31Å; L13-W17 PolarHBondContact O-NE1 2.82Å; L13-W17 VanDerWaalsContact O-NE1 3.11Å; L13-L21 HydrophobicContact CD2-CD1 4.19Å; L13-Q43 HydrophobicContact CD1-CB 3.69Å; L13-Q43 VanDerWaalsContact CD1-OE1 3.3Å; L13-F44 HydrophobicContact CD1-CD2 4Å; L13-F44 HydrophobicContact CD1-CE2 3.82Å; L13-F44 HydrophobicContact CD1-CG 4.44Å; L13-F44 HydrophobicContact CD1-CZ 4.13Å; L13-F44 HydrophobicContact CD2-CD1 4.14Å; L13-F44 HydrophobicContact CD2-CE1 3.91Å; L13-F44 HydrophobicContact CD2-CZ 4.14Å; L13-F44 HydrophobicContact CG-CE2 4.44Å; L13-F44 HydrophobicContact CG-CZ 4.26Å; L13-L47 HydrophobicContact CD2-CD2 3.75Å
14D91.6Very high81.6Confident98 Ų9895.4 Ų95.452%0.52450%0.504SS..G310 helixtrans-80.6-15.9173.1-56.5-29.1000111.8H11 L12H11-D14 WeakPolarHBondContact CA-OD2 3.3Å; H11-D14 VanDerWaalsContact CB-OD2 3.3Å; H11-D14 WeakPolarHBondContact CB-OD2 3.29Å; H11-D14 IonicContact CD2-OD2 2.72Å; H11-D14 IonicContact CG-OD2 3.51Å; H11-D14 PolarHBondContact N-OD2 3.35Å; H11-D14 WeakPolarHBondContact O-CB 3.41Å; H11-D14 PolarHBondContact O-N 3.29Å; L12-D14 PolarHBondContact O-N 3.36Å
15L91.2Very high83.4Confident59 Ų5989.1 Ų89.131%0.30948%0.476SS..SBendtrans-69.6149.1174.3-61.8176.2000111L12 L13 W17 V20 L21L12-L15 HydrophobicContact CD1-CD1 4.27Å; L12-L15 WeakPolarHBondContact O-CB 3.48Å; L12-L15 PolarHBondContact O-N 3.05Å; L13-L15 VanDerWaalsContact C-N 3.31Å; L15-W17 PolarHBondContact O-N 3.21Å; L15-V20 HydrophobicContact CB-CG1 4.39Å; L15-V20 HydrophobicContact CD1-CG1 4.28Å; L15-L21 HydrophobicContact CB-CD2 3.86Å; L15-L21 HydrophobicContact CB-CG 4.09Å; L15-L21 HydrophobicContact CD1-CD2 3.91Å; L15-L21 HydrophobicContact CG-CD2 4.46Å
16P92.5Very high85Confident67 Ų6786.4 Ų86.444%0.43545%0.446SS..  trans-56.5125.9176.4-25.133.9000112.7D19 V20 L21P16-D19 HydrophobicContact CB-CB 4.1Å; P16-V20 HydrophobicContact CB-CG2 4.15Å; P16-V20 HydrophobicContact CG-CG2 4.14Å; P16-V20 WeakPolarHBondContact O-CA 3.37Å; P16-V20 VanDerWaalsContact O-CB 3.29Å; P16-V20 WeakPolarHBondContact O-CB 3.32Å; P16-V20 PolarHBondContact O-N 2.64Å; P16-L21 PolarHBondContact O-N 2.82Å
17W93Very high86.4Confident74 Ų7484.1 Ų84.128%0.2843%0.43SS..Iπ-helixtrans-70-50.1-172.3-66.54.6000112.3L13 L15 L21 V22 L47 V50L13-W17 PolarHBondContact O-NE1 2.82Å; L13-W17 VanDerWaalsContact O-NE1 3.11Å; L15-W17 PolarHBondContact O-N 3.21Å; W17-L21 VanDerWaalsContact CD1-CD1 3.48Å; W17-L21 HydrophobicContact CG-CD1 4.27Å; W17-L21 PolarHBondContact O-N 3.48Å; W17-V22 WeakPolarHBondContact O-CB 3.33Å; W17-V22 VanDerWaalsContact O-CG2 3.32Å; W17-V22 WeakPolarHBondContact O-CG2 3.3Å; W17-V22 PolarHBondContact O-N 3.01Å; W17-L47 HydrophobicContact CB-CD1 3.74Å; W17-L47 HydrophobicContact CD2-CB 4.27Å; W17-L47 HydrophobicContact CD2-CD1 3.91Å; W17-L47 HydrophobicContact CE3-CB 4.18Å; W17-L47 HydrophobicContact CE3-CD1 4.25Å; W17-L47 HydrophobicContact CG-CD1 3.68Å; W17-L47 HydrophobicContact CZ3-CB 4.35Å; W17-V50 HydrophobicContact CE3-CG2 4.09Å
18E91Very high87.6Confident126 Ų12681.3 Ų81.359%0.58942%0.421SS*.Iπ-helixtrans-77.9-31.7-175.5-67-177.6-175.500113P23 V50E18-P23 WeakPolarHBondContact O-CD 3.08Å; E18-P23 WeakPolarHBondContact O-CG 3.45Å; E18-V50 HydrophobicContact CG-CG1 3.58Å
19D90.8Very high88.4Confident122 Ų12275.8 Ų75.865%0.65240%0.397SS*.Iπ-helixtrans-92.8-22.9-176.4-54.2-56.9000113.3P16 P23 H24P16-D19 HydrophobicContact CB-CB 4.1Å; D19-P23 VanDerWaalsContact C-CG 3.46Å; D19-P23 VanDerWaalsContact O-CG 3.3Å; D19-P23 WeakPolarHBondContact O-CG 3.32Å; D19-H24 PolarHBondContact O-CD2 2.8Å
20V91.1Very high88.8Confident48 Ų4873.7 Ų73.729%0.29139%0.385SS..Iπ-helixtrans-125.6-63.7-174.9-175.30000111.9L15 P16 V22 H24L15-V20 HydrophobicContact CB-CG1 4.39Å; L15-V20 HydrophobicContact CD1-CG1 4.28Å; P16-V20 HydrophobicContact CB-CG2 4.15Å; P16-V20 HydrophobicContact CG-CG2 4.14Å; P16-V20 WeakPolarHBondContact O-CA 3.37Å; P16-V20 VanDerWaalsContact O-CB 3.29Å; P16-V20 WeakPolarHBondContact O-CB 3.32Å; P16-V20 PolarHBondContact O-N 2.64Å; V20-V22 PolarHBondContact O-N 3.01Å; V20-H24 WeakPolarHBondContact O-CA 3.35Å; V20-H24 VanDerWaalsContact O-CB 3.29Å; V20-H24 WeakPolarHBondContact O-CB 3.35Å; V20-H24 PolarHBondContact O-N 2.96Å
21L91.2Very high88.9Confident3 Ų369.8 Ų69.82%0.01636%0.358CS..Iπ-helixtrans-64-48.8-170.1-62.7-175.7000112.5L12 L13 L15 P16 W17 I25 L26 L47L12-L21 HydrophobicContact CD1-CD2 3.88Å; L12-L21 HydrophobicContact CG-CD2 4.27Å; L13-L21 HydrophobicContact CD2-CD1 4.19Å; L15-L21 HydrophobicContact CB-CD2 3.86Å; L15-L21 HydrophobicContact CB-CG 4.09Å; L15-L21 HydrophobicContact CD1-CD2 3.91Å; L15-L21 HydrophobicContact CG-CD2 4.46Å; P16-L21 PolarHBondContact O-N 2.82Å; W17-L21 VanDerWaalsContact CD1-CD1 3.48Å; W17-L21 HydrophobicContact CG-CD1 4.27Å; W17-L21 PolarHBondContact O-N 3.48Å; L21-I25 HydrophobicContact CD2-CD1 3.54Å; L21-I25 HydrophobicContact CD2-CG1 4.41Å; L21-I25 CarbonylContact O-C 3.55Å; L21-I25 WeakPolarHBondContact O-CA 3.3Å; L21-I25 VanDerWaalsContact O-CB 3.3Å; L21-I25 WeakPolarHBondContact O-CB 3.4Å; L21-I25 PolarHBondContact O-N 2.92Å; L21-L26 PolarHBondContact O-N 3.35Å; L21-L47 HydrophobicContact CB-CD1 4.02Å; L21-L47 HydrophobicContact CB-CD2 4.46Å; L21-L47 HydrophobicContact CD1-CD1 4.07Å; L21-L47 HydrophobicContact CD1-CD2 3.83Å
22V89.1Confident88.6Confident19 Ų1968.2 Ų68.212%0.11535%0.351CS..Hα-helixtrans-64.5-57.7180168.60000111.8W17 V20 L26 S27 L47 V50 Y51W17-V22 WeakPolarHBondContact O-CB 3.33Å; W17-V22 VanDerWaalsContact O-CG2 3.32Å; W17-V22 WeakPolarHBondContact O-CG2 3.3Å; W17-V22 PolarHBondContact O-N 3.01Å; V20-V22 PolarHBondContact O-N 3.01Å; V22-L26 HydrophobicContact CG2-CD1 4.28Å; V22-S27 PolarHBondContact O-N 3.11Å; V22-L47 HydrophobicContact CG2-CD1 4.12Å; V22-V50 HydrophobicContact CG2-CG1 4.3Å; V22-Y51 HydrophobicContact CG1-CD2 4Å
23P88Confident88.4Confident49 Ų4968.9 Ų68.932%0.31835%0.351SS..Hα-helixtrans-76.1-26.8-172.528.2-36.3000113.9E18 D19 S27E18-P23 WeakPolarHBondContact O-CD 3.08Å; E18-P23 WeakPolarHBondContact O-CG 3.45Å; D19-P23 VanDerWaalsContact C-CG 3.46Å; D19-P23 VanDerWaalsContact O-CG 3.3Å; D19-P23 WeakPolarHBondContact O-CG 3.32Å; P23-S27 VanDerWaalsContact C-OG 3.31Å; P23-S27 WeakPolarHBondContact O-CB 3.33Å; P23-S27 PolarHBondContact O-OG 3.05Å
24H90.9Very high88.2Confident119 Ų11967.8 Ų67.855%0.55135%0.346SS*.Hα-helixtrans-116.4-9.1-171.3-59.8-59.3000114.9D19 V20 Y28D19-H24 PolarHBondContact O-CD2 2.8Å; V20-H24 WeakPolarHBondContact O-CA 3.35Å; V20-H24 VanDerWaalsContact O-CB 3.29Å; V20-H24 WeakPolarHBondContact O-CB 3.35Å; V20-H24 PolarHBondContact O-N 2.96Å; H24-Y28 WeakPolarHBondContact O-CD2 3.46Å; H24-Y28 WeakPolarHBondContact O-CE2 3.5Å
25I90.6Very high87.8Confident61 Ų6164.3 Ų64.331%0.31333%0.328SS..THydrogen-bonded Turntrans-121.4-61.5175.7-52.7-171000110.8L12 L21 S27 Y28L12-I25 HydrophobicContact CD1-CD1 3.82Å; L21-I25 HydrophobicContact CD2-CD1 3.54Å; L21-I25 HydrophobicContact CD2-CG1 4.41Å; L21-I25 CarbonylContact O-C 3.55Å; L21-I25 WeakPolarHBondContact O-CA 3.3Å; L21-I25 VanDerWaalsContact O-CB 3.3Å; L21-I25 WeakPolarHBondContact O-CB 3.4Å; L21-I25 PolarHBondContact O-N 2.92Å; I25-S27 VanDerWaalsContact C-N 3.29Å; I25-S27 PolarHBondContact O-N 3.27Å; I25-Y28 PolarHBondContact O-N 2.95Å
26L87.9Confident87.5Confident6 Ų664.5 Ų64.53%0.03133%0.334CS..G310 helixtrans-66.2-31.6-175.8-61.2-174.2000112.3L21 V22 Y28 L29 I34 L37 L47 Y51L21-L26 PolarHBondContact O-N 3.35Å; V22-L26 HydrophobicContact CG2-CD1 4.28Å; L26-Y28 PolarHBondContact O-N 3.39Å; L26-Y28 VanDerWaalsContact O-N 3.1Å; L26-L29 HydrophobicContact CD2-CD1 3.85Å; L26-L29 PolarHBondContact O-N 3.06Å; L26-I34 HydrophobicContact CB-CD1 4.29Å; L26-I34 HydrophobicContact CD1-CG2 4.47Å; L26-I34 WeakPolarHBondContact O-CD1 3.29Å; L26-L37 HydrophobicContact CD2-CD1 3.9Å; L26-L47 HydrophobicContact CD1-CD1 4.17Å; L26-L47 HydrophobicContact CD1-CD2 4.14Å; L26-L47 HydrophobicContact CD1-CG 3.9Å; L26-Y51 HydrophobicContact CB-CD2 3.72Å; L26-Y51 HydrophobicContact CB-CE2 4.03Å; L26-Y51 HydrophobicContact CD1-CD2 4.07Å; L26-Y51 HydrophobicContact CD1-CG 4.28Å
27S85.8Confident87.3Confident59 Ų5963.2 Ų63.241%0.41332%0.323SS..G310 helixtrans-57.1-23.3176.562.90000114.4V22 P23 I25V22-S27 PolarHBondContact O-N 3.11Å; P23-S27 VanDerWaalsContact C-OG 3.31Å; P23-S27 WeakPolarHBondContact O-CB 3.33Å; P23-S27 PolarHBondContact O-OG 3.05Å; I25-S27 VanDerWaalsContact C-N 3.29Å; I25-S27 PolarHBondContact O-N 3.27Å
28Y86.6Confident86.9Confident181 Ų18161.6 Ų61.671%0.7132%0.319SS*.G310 helixtrans-93-8.1177.8-64.1-75000113.5H24 I25 L26H24-Y28 WeakPolarHBondContact O-CD2 3.46Å; H24-Y28 WeakPolarHBondContact O-CE2 3.5Å; I25-Y28 PolarHBondContact O-N 2.95Å; L26-Y28 PolarHBondContact O-N 3.39Å; L26-Y28 VanDerWaalsContact O-N 3.1Å
29L84.3Confident86.7Confident66 Ų6666.2 Ų66.235%0.34633%0.331SS..SBendtrans-90.9142.7-179.1-63.3178.7000111L26 I34L26-L29 HydrophobicContact CD2-CD1 3.85Å; L26-L29 PolarHBondContact O-N 3.06Å; L29-I34 HydrophobicContact CB-CD1 4.19Å; L29-I34 HydrophobicContact CB-CG1 3.72Å
30P82.7Confident86.7Confident65 Ų6564.9 Ų64.942%0.42233%0.327SS..  trans-56.8142.1167.4-2433.5000111.2Q32 H33 I34P30-Q32 PolarHBondContact O-N 2.86Å; P30-Q32 VanDerWaalsContact O-N 3.15Å; P30-H33 WeakPolarHBondContact O-CB 3.43Å; P30-H33 PolarHBondContact O-N 3.05Å; P30-I34 PolarHBondContact O-N 3.12Å
31L81.7Confident86.8Confident13 Ų1364.6 Ų64.67%0.06833%0.327CS..Hα-helixtrans-56.2-36.5-177.8-169.654.3000112.1H33 I34 V35 Y51 F58 I63L31-H33 VanDerWaalsContact C-N 3.33Å; L31-H33 PolarHBondContact O-N 2.87Å; L31-I34 PolarHBondContact O-N 3.35Å; L31-V35 HydrophobicContact CD1-CG2 4.23Å; L31-V35 HydrophobicContact CG-CG2 4.36Å; L31-V35 WeakPolarHBondContact O-CG2 3.16Å; L31-V35 PolarHBondContact O-N 3.44Å; L31-Y51 HydrophobicContact CD1-CE1 3.77Å; L31-F58 HydrophobicContact CD1-CE2 4.34Å; L31-F58 HydrophobicContact CD2-CD1 4.37Å; L31-F58 HydrophobicContact CD2-CD2 3.97Å; L31-F58 HydrophobicContact CD2-CE1 4.26Å; L31-F58 HydrophobicContact CD2-CE2 3.9Å; L31-F58 HydrophobicContact CD2-CG 4.24Å; L31-F58 HydrophobicContact CD2-CZ 4.07Å; L31-F58 HydrophobicContact CG-CE2 4.49Å; L31-I63 HydrophobicContact CB-CG1 3.98Å; L31-I63 HydrophobicContact CD2-CD1 3.51Å; L31-I63 HydrophobicContact CD2-CG1 3.8Å; L31-I63 HydrophobicContact CG-CD1 3.68Å; L31-I63 HydrophobicContact CG-CG1 3.65Å
32Q81.3Confident86.9Confident86 Ų8673.5 Ų73.540%0.40237%0.366SS..Hα-helixtrans-52.5-47171.8-175175.94.700113.3P30 S36 T62P30-Q32 PolarHBondContact O-N 2.86Å; P30-Q32 VanDerWaalsContact O-N 3.15Å; Q32-S36 WeakPolarHBondContact O-CB 3.21Å; Q32-S36 PolarHBondContact O-N 3.25Å; Q32-S36 PolarHBondContact O-OG 3.39Å; Q32-T62 WeakPolarHBondContact CB-O 3.03Å
33H84.6Confident87.1Confident103 Ų10377.8 Ų77.848%0.47739%0.385SS..Hα-helixtrans-68.3-43.9-178.8-64.9166.9000110.6P30 L31 V35 S36 L37P30-H33 WeakPolarHBondContact O-CB 3.43Å; P30-H33 PolarHBondContact O-N 3.05Å; L31-H33 VanDerWaalsContact C-N 3.33Å; L31-H33 PolarHBondContact O-N 2.87Å; H33-V35 VanDerWaalsContact C-N 3.33Å; H33-V35 PolarHBondContact O-N 3.13Å; H33-S36 WeakPolarHBondContact O-CB 3.21Å; H33-S36 PolarHBondContact O-N 3.25Å; H33-S36 VanDerWaalsContact O-N 3.13Å; H33-L37 WeakPolarHBondContact O-CG 3.38Å; H33-L37 PolarHBondContact O-N 3.1Å; H33-L37 VanDerWaalsContact O-N 3.08Å
34I86.6Confident87.3Confident0 Ų077.2 Ų77.20%038%0.377CS..Hα-helixtrans-57.5-48.5177.2-58172.9000110.2L26 L29 P30 L31 S36 L37 V48 Y51L26-I34 HydrophobicContact CB-CD1 4.29Å; L26-I34 HydrophobicContact CD1-CG2 4.47Å; L26-I34 WeakPolarHBondContact O-CD1 3.29Å; L29-I34 HydrophobicContact CB-CD1 4.19Å; L29-I34 HydrophobicContact CB-CG1 3.72Å; P30-I34 PolarHBondContact O-N 3.12Å; L31-I34 PolarHBondContact O-N 3.35Å; I34-S36 VanDerWaalsContact C-N 3.28Å; I34-S36 PolarHBondContact O-N 2.96Å; I34-L37 VanDerWaalsContact O-CB 3.3Å; I34-L37 WeakPolarHBondContact O-CB 3.39Å; I34-L37 PolarHBondContact O-N 2.93Å; I34-L37 VanDerWaalsContact O-N 3.12Å; I34-V48 HydrophobicContact CG2-CG1 4.03Å; I34-V48 HydrophobicContact CG2-CG2 4.04Å; I34-V48 WeakPolarHBondContact O-CG2 3.47Å; I34-Y51 HydrophobicContact CD1-CD1 4.33Å; I34-Y51 HydrophobicContact CD1-CD2 4.31Å; I34-Y51 HydrophobicContact CD1-CE1 3.73Å; I34-Y51 HydrophobicContact CD1-CE2 3.71Å; I34-Y51 HydrophobicContact CG2-CD1 3.8Å; I34-Y51 HydrophobicContact CG2-CE1 4.13Å; I34-Y51 HydrophobicContact CG2-CG 4.07Å
35V83.7Confident87.2Confident25 Ų2575.3 Ų75.315%0.15237%0.368CS..Hα-helixtrans-65.3-34.7179.8178.40000111.5L31 H33 L37 Q38 M75L31-V35 HydrophobicContact CD1-CG2 4.23Å; L31-V35 HydrophobicContact CG-CG2 4.36Å; L31-V35 WeakPolarHBondContact O-CG2 3.16Å; L31-V35 PolarHBondContact O-N 3.44Å; H33-V35 VanDerWaalsContact C-N 3.33Å; H33-V35 PolarHBondContact O-N 3.13Å; V35-L37 VanDerWaalsContact C-N 3.27Å; V35-L37 PolarHBondContact O-N 3.44Å; V35-Q38 VanDerWaalsContact O-CB 3.28Å; V35-Q38 WeakPolarHBondContact O-CB 3.4Å; V35-Q38 VanDerWaalsContact O-CG 3.3Å; V35-Q38 WeakPolarHBondContact O-CG 3.45Å; V35-Q38 PolarHBondContact O-N 3.08Å; V35-M75 HydrophobicContact CB-CE 4.19Å; V35-M75 HydrophobicContact CG1-CE 3.74Å; V35-M75 HydrophobicContact CG1-SD 4.33Å; V35-M75 HydrophobicContact CG2-CE 3.29Å
36S85.4Confident87.3Confident62 Ų6275 Ų7543%0.43437%0.372SS..Hα-helixtrans-64.7-29.5175.3-58.80000112.9Q32 H33 I34 Q38 R39Q32-S36 WeakPolarHBondContact O-CB 3.21Å; Q32-S36 PolarHBondContact O-N 3.25Å; Q32-S36 PolarHBondContact O-OG 3.39Å; H33-S36 WeakPolarHBondContact O-CB 3.21Å; H33-S36 PolarHBondContact O-N 3.25Å; H33-S36 VanDerWaalsContact O-N 3.13Å; I34-S36 VanDerWaalsContact C-N 3.28Å; I34-S36 PolarHBondContact O-N 2.96Å; S36-Q38 PolarHBondContact O-N 3Å; S36-R39 PolarHBondContact O-N 3.18Å; S36-R39 VanDerWaalsContact O-N 3.11Å
37L87.2Confident87.5Confident40 Ų4074.9 Ų74.921%0.20937%0.371CS..Hα-helixtrans-60.3-24.8175.9-65.1175.1000112.5L26 H33 I34 V35 R39 V40 F44 V48L26-L37 HydrophobicContact CD2-CD1 3.9Å; H33-L37 WeakPolarHBondContact O-CG 3.38Å; H33-L37 PolarHBondContact O-N 3.1Å; H33-L37 VanDerWaalsContact O-N 3.08Å; I34-L37 VanDerWaalsContact O-CB 3.3Å; I34-L37 WeakPolarHBondContact O-CB 3.39Å; I34-L37 PolarHBondContact O-N 2.93Å; I34-L37 VanDerWaalsContact O-N 3.12Å; V35-L37 VanDerWaalsContact C-N 3.27Å; V35-L37 PolarHBondContact O-N 3.44Å; L37-R39 PolarHBondContact O-N 3.29Å; L37-V40 HydrophobicContact CD2-CG2 4.21Å; L37-V40 WeakPolarHBondContact O-CB 3.43Å; L37-V40 PolarHBondContact O-N 3.32Å; L37-F44 HydrophobicContact CB-CB 4.34Å; L37-F44 HydrophobicContact CB-CD1 4.04Å; L37-F44 HydrophobicContact CB-CG 4.43Å; L37-F44 HydrophobicContact CD1-CD1 4.19Å; L37-F44 HydrophobicContact CD1-CE1 4.34Å; L37-F44 HydrophobicContact CD2-CD1 4.35Å; L37-F44 HydrophobicContact CD2-CE1 4.34Å; L37-F44 HydrophobicContact CG-CD1 4.43Å; L37-F44 WeakPolarHBondContact O-CB 3.21Å; L37-V48 HydrophobicContact CB-CG2 4.03Å
38Q85.6Confident87.7Confident40 Ų4072.1 Ų72.119%0.18735%0.351CS..THydrogen-bonded Turntrans-56.5-22.6176-65.1-178.4900113.3V35 S36 V48V35-Q38 VanDerWaalsContact O-CB 3.28Å; V35-Q38 WeakPolarHBondContact O-CB 3.4Å; V35-Q38 VanDerWaalsContact O-CG 3.3Å; V35-Q38 WeakPolarHBondContact O-CG 3.45Å; V35-Q38 PolarHBondContact O-N 3.08Å; S36-Q38 PolarHBondContact O-N 3Å; Q38-V48 HydrophobicContact CG-CB 3.66Å; Q38-V48 HydrophobicContact CG-CG1 3.59Å; Q38-V48 HydrophobicContact CG-CG2 3.96Å
39R85.9Confident87.9Confident224 Ų22465.3 Ų65.385%0.84533%0.326SS*.THydrogen-bonded Turntrans-89.4-6.8-179.9-59.8-176.6179.2176.80.4113.6S36 L37S36-R39 PolarHBondContact O-N 3.18Å; S36-R39 VanDerWaalsContact O-N 3.11Å; L37-R39 PolarHBondContact O-N 3.29Å
40V90.6Very high88.1Confident93 Ų9363.7 Ų63.756%0.56432%0.319SS*.THydrogen-bonded Turntrans-81.1-48.2-174.7179.10000111.7L37 F44L37-V40 HydrophobicContact CD2-CG2 4.21Å; L37-V40 WeakPolarHBondContact O-CB 3.43Å; L37-V40 PolarHBondContact O-N 3.32Å; V40-F44 HydrophobicContact CB-CB 4.34Å; V40-F44 HydrophobicContact CB-CD2 3.76Å; V40-F44 HydrophobicContact CB-CE2 4.38Å; V40-F44 HydrophobicContact CB-CG 4.22Å; V40-F44 HydrophobicContact CG1-CD2 3.53Å; V40-F44 HydrophobicContact CG1-CE2 3.74Å; V40-F44 HydrophobicContact CG1-CG 4.43Å
41S93.1Very high88.5Confident43 Ų4362.2 Ų62.230%0.30131%0.305SS..  trans-159.9166.3178.483.40000111.7Q43 F44 H45S41-Q43 PolarHBondContact O-N 3.36Å; S41-Q43 PolarHBondContact OG-N 3.21Å; S41-F44 PolarHBondContact O-N 3.27Å; S41-F44 WeakPolarHBondContact OG-CD2 3.45Å; S41-F44 PolarHBondContact OG-N 3.26Å; S41-F44 VanDerWaalsContact OG-N 3.13Å; S41-H45 PolarHBondContact O-N 3.31Å
42K92.6Very high88.9Confident190 Ų19061.6 Ų61.683%0.82630%0.302SS*.Hα-helixtrans-59.6-33.8173.9-66.4-176.6-179.8179.30112.7S46K42-S46 PolarHBondContact O-N 3.35Å; K42-S46 VanDerWaalsContact O-N 3.08Å; K42-S46 PolarHBondContact O-OG 2.9Å
43Q94.1Very high89.3Confident109 Ų10958.7 Ų58.751%0.50929%0.293SS..Hα-helixtrans-70.9-44.5177.1-69.1175.6-33.200110.9L13 S41 H45 S46 L47L13-Q43 HydrophobicContact CD1-CB 3.69Å; L13-Q43 VanDerWaalsContact CD1-OE1 3.3Å; S41-Q43 PolarHBondContact O-N 3.36Å; S41-Q43 PolarHBondContact OG-N 3.21Å; Q43-H45 VanDerWaalsContact C-N 3.32Å; Q43-H45 PolarHBondContact O-N 2.87Å; Q43-S46 PolarHBondContact O-N 2.84Å; Q43-L47 WeakPolarHBondContact O-CB 3.3Å; Q43-L47 PolarHBondContact O-N 3.4Å
44F91.7Very high89.5Confident36 Ų3657.7 Ų57.716%0.15829%0.291CS..Hα-helixtrans-62.7-38.9173.8-82.7-70.8000112.2L12 L13 L37 V40 S41 S46 L47 V48L12-F44 HydrophobicContact CD2-CZ 4.47Å; L13-F44 HydrophobicContact CD1-CD2 4Å; L13-F44 HydrophobicContact CD1-CE2 3.82Å; L13-F44 HydrophobicContact CD1-CG 4.44Å; L13-F44 HydrophobicContact CD1-CZ 4.13Å; L13-F44 HydrophobicContact CD2-CD1 4.14Å; L13-F44 HydrophobicContact CD2-CE1 3.91Å; L13-F44 HydrophobicContact CD2-CZ 4.14Å; L13-F44 HydrophobicContact CG-CE2 4.44Å; L13-F44 HydrophobicContact CG-CZ 4.26Å; L37-F44 HydrophobicContact CB-CB 4.34Å; L37-F44 HydrophobicContact CB-CD1 4.04Å; L37-F44 HydrophobicContact CB-CG 4.43Å; L37-F44 HydrophobicContact CD1-CD1 4.19Å; L37-F44 HydrophobicContact CD1-CE1 4.34Å; L37-F44 HydrophobicContact CD2-CD1 4.35Å; L37-F44 HydrophobicContact CD2-CE1 4.34Å; L37-F44 HydrophobicContact CG-CD1 4.43Å; L37-F44 WeakPolarHBondContact O-CB 3.21Å; V40-F44 HydrophobicContact CB-CB 4.34Å; V40-F44 HydrophobicContact CB-CD2 3.76Å; V40-F44 HydrophobicContact CB-CE2 4.38Å; V40-F44 HydrophobicContact CB-CG 4.22Å; V40-F44 HydrophobicContact CG1-CD2 3.53Å; V40-F44 HydrophobicContact CG1-CE2 3.74Å; V40-F44 HydrophobicContact CG1-CG 4.43Å; S41-F44 PolarHBondContact O-N 3.27Å; S41-F44 WeakPolarHBondContact OG-CD2 3.45Å; S41-F44 PolarHBondContact OG-N 3.26Å; S41-F44 VanDerWaalsContact OG-N 3.13Å; F44-S46 VanDerWaalsContact C-N 3.33Å; F44-S46 PolarHBondContact O-N 3.47Å; F44-L47 HydrophobicContact CD1-CD2 4.29Å; F44-L47 PolarHBondContact O-N 2.93Å; F44-V48 WeakPolarHBondContact O-CG2 3.38Å; F44-V48 PolarHBondContact O-N 3.06Å
45H90Very high89.6Confident79 Ų7958 Ų5837%0.36629%0.293SS..Hα-helixtrans-55.4-49.4172.2-176.989.5000111.4S41 Q43 V48 Q49S41-H45 PolarHBondContact O-N 3.31Å; Q43-H45 VanDerWaalsContact C-N 3.32Å; Q43-H45 PolarHBondContact O-N 2.87Å; H45-V48 PolarHBondContact O-N 3.28Å; H45-Q49 WeakPolarHBondContact O-CG 3.3Å; H45-Q49 PolarHBondContact O-N 3.08Å
46S91.8Very high89.8Confident55 Ų5564.2 Ų64.239%0.38531%0.314SS..Hα-helixtrans-64.8-43.6-180-53.50000112.2K42 Q43 F44 V48 Q49 V50K42-S46 PolarHBondContact O-N 3.35Å; K42-S46 VanDerWaalsContact O-N 3.08Å; K42-S46 PolarHBondContact O-OG 2.9Å; Q43-S46 PolarHBondContact O-N 2.84Å; F44-S46 VanDerWaalsContact C-N 3.33Å; F44-S46 PolarHBondContact O-N 3.47Å; S46-V48 VanDerWaalsContact C-N 3.3Å; S46-V48 PolarHBondContact O-N 2.9Å; S46-Q49 WeakPolarHBondContact O-CB 3.15Å; S46-Q49 PolarHBondContact O-N 3.15Å; S46-Q49 VanDerWaalsContact O-N 3.12Å; S46-V50 PolarHBondContact O-N 3.17Å
47L92.1Very high89.8Confident4 Ų464.9 Ų64.92%0.02132%0.316CS..Hα-helixtrans-58.5-42.1175.4172.862.9000111.6L13 W17 L21 V22 L26 Q43 F44 V50 Y51L13-L47 HydrophobicContact CD2-CD2 3.75Å; W17-L47 HydrophobicContact CB-CD1 3.74Å; W17-L47 HydrophobicContact CD2-CB 4.27Å; W17-L47 HydrophobicContact CD2-CD1 3.91Å; W17-L47 HydrophobicContact CE3-CB 4.18Å; W17-L47 HydrophobicContact CE3-CD1 4.25Å; W17-L47 HydrophobicContact CG-CD1 3.68Å; W17-L47 HydrophobicContact CZ3-CB 4.35Å; L21-L47 HydrophobicContact CB-CD1 4.02Å; L21-L47 HydrophobicContact CB-CD2 4.46Å; L21-L47 HydrophobicContact CD1-CD1 4.07Å; L21-L47 HydrophobicContact CD1-CD2 3.83Å; V22-L47 HydrophobicContact CG2-CD1 4.12Å; L26-L47 HydrophobicContact CD1-CD1 4.17Å; L26-L47 HydrophobicContact CD1-CD2 4.14Å; L26-L47 HydrophobicContact CD1-CG 3.9Å; Q43-L47 WeakPolarHBondContact O-CB 3.3Å; Q43-L47 PolarHBondContact O-N 3.4Å; F44-L47 HydrophobicContact CD1-CD2 4.29Å; F44-L47 PolarHBondContact O-N 2.93Å; L47-V50 PolarHBondContact O-N 3.37Å; L47-Y51 PolarHBondContact O-N 3.12Å
48V90.3Very high89.7Confident0 Ų063 Ų630%031%0.306CS..Hα-helixtrans-68.1-35.5177.3176.50000111.2I34 L37 Q38 F44 H45 S46 V50 Y51 L52I34-V48 HydrophobicContact CG2-CG1 4.03Å; I34-V48 HydrophobicContact CG2-CG2 4.04Å; I34-V48 WeakPolarHBondContact O-CG2 3.47Å; L37-V48 HydrophobicContact CB-CG2 4.03Å; Q38-V48 HydrophobicContact CG-CB 3.66Å; Q38-V48 HydrophobicContact CG-CG1 3.59Å; Q38-V48 HydrophobicContact CG-CG2 3.96Å; F44-V48 WeakPolarHBondContact O-CG2 3.38Å; F44-V48 PolarHBondContact O-N 3.06Å; H45-V48 PolarHBondContact O-N 3.28Å; S46-V48 VanDerWaalsContact C-N 3.3Å; S46-V48 PolarHBondContact O-N 2.9Å; V48-V50 VanDerWaalsContact C-N 3.31Å; V48-V50 PolarHBondContact O-N 3.13Å; V48-Y51 WeakPolarHBondContact O-CB 3.41Å; V48-Y51 PolarHBondContact O-N 3.36Å; V48-L52 HydrophobicContact CG1-CD1 3.85Å; V48-L52 HydrophobicContact CG1-CG 4.05Å; V48-L52 WeakPolarHBondContact O-CB 3.28Å; V48-L52 WeakPolarHBondContact O-CG 3.47Å; V48-L52 PolarHBondContact O-N 3.17Å
49Q90.3Very high89.3Confident39 Ų3963.5 Ų63.518%0.18231%0.309CS..Hα-helixtrans-62.2-40.1172.8-63.4-54.4-24.700111.8H45 S46 L52 A53H45-Q49 WeakPolarHBondContact O-CG 3.3Å; H45-Q49 PolarHBondContact O-N 3.08Å; S46-Q49 WeakPolarHBondContact O-CB 3.15Å; S46-Q49 PolarHBondContact O-N 3.15Å; S46-Q49 VanDerWaalsContact O-N 3.12Å; Q49-L52 PolarHBondContact O-N 3.2Å; Q49-A53 WeakPolarHBondContact O-CB 3.24Å; Q49-A53 PolarHBondContact O-N 2.99Å
50V90.2Very high88.6Confident31 Ų3152.9 Ų52.919%0.18827%0.269CS..Hα-helixtrans-62.7-42.9173.9175.70000111.3W17 E18 V22 S46 L47 V48 N54W17-V50 HydrophobicContact CE3-CG2 4.09Å; E18-V50 HydrophobicContact CG-CG1 3.58Å; V22-V50 HydrophobicContact CG2-CG1 4.3Å; S46-V50 PolarHBondContact O-N 3.17Å; L47-V50 PolarHBondContact O-N 3.37Å; V48-V50 VanDerWaalsContact C-N 3.31Å; V48-V50 PolarHBondContact O-N 3.13Å; V50-N54 PolarHBondContact O-N 3.37Å; V50-N54 PolarHBondContact O-ND2 3.21Å
51Y90.1Very high87.3Confident34 Ų3450.7 Ų50.713%0.13326%0.259CS..Hα-helixtrans-58.7-48.4173.4174.6-87.7000111.5V22 L26 L31 I34 L47 V48 N54 C55V22-Y51 HydrophobicContact CG1-CD2 4Å; L26-Y51 HydrophobicContact CB-CD2 3.72Å; L26-Y51 HydrophobicContact CB-CE2 4.03Å; L26-Y51 HydrophobicContact CD1-CD2 4.07Å; L26-Y51 HydrophobicContact CD1-CG 4.28Å; L31-Y51 HydrophobicContact CD1-CE1 3.77Å; I34-Y51 HydrophobicContact CD1-CD1 4.33Å; I34-Y51 HydrophobicContact CD1-CD2 4.31Å; I34-Y51 HydrophobicContact CD1-CE1 3.73Å; I34-Y51 HydrophobicContact CD1-CE2 3.71Å; I34-Y51 HydrophobicContact CG2-CD1 3.8Å; I34-Y51 HydrophobicContact CG2-CE1 4.13Å; I34-Y51 HydrophobicContact CG2-CG 4.07Å; L47-Y51 PolarHBondContact O-N 3.12Å; V48-Y51 WeakPolarHBondContact O-CB 3.41Å; V48-Y51 PolarHBondContact O-N 3.36Å; Y51-N54 CarbonylContact O-C 3.59Å; Y51-N54 PolarHBondContact O-N 3.11Å; Y51-C55 HydrophobicContact CE1-CB 4.12Å; Y51-C55 WeakPolarHBondContact O-CB 3.21Å; Y51-C55 PolarHBondContact O-N 2.74Å
52L89.7Confident85.8Confident0 Ų051.7 Ų51.70%026%0.263CS..Hα-helixtrans-67.3-35.9-176.9-72.1174000112.7V48 Q49 N54 C55 F58 M75 N79V48-L52 HydrophobicContact CG1-CD1 3.85Å; V48-L52 HydrophobicContact CG1-CG 4.05Å; V48-L52 WeakPolarHBondContact O-CB 3.28Å; V48-L52 WeakPolarHBondContact O-CG 3.47Å; V48-L52 PolarHBondContact O-N 3.17Å; Q49-L52 PolarHBondContact O-N 3.2Å; L52-N54 PolarHBondContact O-N 3.19Å; L52-C55 PolarHBondContact O-SG 2.95Å; L52-F58 HydrophobicContact CD2-CD2 4.13Å; L52-F58 HydrophobicContact CD2-CE2 3.56Å; L52-M75 WeakPolarHBondContact CB-O 3.37Å; L52-M75 HydrophobicContact CD1-CB 3.86Å; L52-M75 HydrophobicContact CD1-CE 4.07Å; L52-M75 HydrophobicContact CD1-CG 3.89Å; L52-M75 HydrophobicContact CD2-CE 4.17Å; L52-N79 PolarHBondContact O-ND2 3.36Å
53A89.9Confident84.3Confident26 Ų2643.5 Ų43.522%0.21523%0.228CC..Hα-helixtrans-64.2-29.2175.100000112.5Q49 D78Q49-A53 WeakPolarHBondContact O-CB 3.24Å; Q49-A53 PolarHBondContact O-N 2.99Å; A53-D78 HydrophobicContact CB-CB 4.33Å
54N88.2Confident82.6Confident81 Ų8139.1 Ų39.143%0.43321%0.212SC..Hα-helixtrans-104.6-0.2-175.8-70.1-65.1000114.2V50 Y51 L52V50-N54 PolarHBondContact O-N 3.37Å; V50-N54 PolarHBondContact O-ND2 3.21Å; Y51-N54 CarbonylContact O-C 3.59Å; Y51-N54 PolarHBondContact O-N 3.11Å; L52-N54 PolarHBondContact O-N 3.19Å
55C88.3Confident81Confident8 Ų843.3 Ų43.35%0.05424%0.243CC..  trans-75.4131.7-176.676.90000111.4Y51 L52 N79Y51-C55 HydrophobicContact CE1-CB 4.12Å; Y51-C55 WeakPolarHBondContact O-CB 3.21Å; Y51-C55 PolarHBondContact O-N 2.74Å; L52-C55 PolarHBondContact O-SG 2.95Å; C55-N79 PolarHBondContact O-ND2 2.87Å; C55-N79 PolarHBondContact SG-ND2 3.14Å
56R89.9Confident79.3Confident155 Ų15544.7 Ų44.759%0.58526%0.26SS*.SBendtrans-91.1-19.4178.4-63.5-176.6-177.3-175.71.5113.3Q83 N84R56-Q83 HydrophobicContact CB-CB 4.48Å; R56-Q83 HydrophobicContact CB-CG 4.35Å; R56-Q83 WeakPolarHBondContact O-CA 3.35Å; R56-Q83 PolarHBondContact O-N 3.26Å; R56-N84 PolarHBondContact O-N 2.76Å
57T85.3Confident78Confident76 Ų7642.5 Ų42.547%0.46624%0.244SC..EExtended strand (participates in β ladder)trans-128.2124.2179.9-61.60000108.6N84T57-N84 WeakPolarHBondContact CA-O 3.26Å; T57-N84 HydrophobicContact CG2-CB 3.98Å; T57-N84 PolarHBondContact OG1-ND2 2.97Å
58F83.7Confident76.9Confident0 Ų046.2 Ų46.20%027%0.268CS..EExtended strand (participates in β ladder)trans-128.2104.1174.5-160.9-75.2000108.9L31 L52 F60 I63 M75 L76 L82 N84 S86L31-F58 HydrophobicContact CD1-CE2 4.34Å; L31-F58 HydrophobicContact CD2-CD1 4.37Å; L31-F58 HydrophobicContact CD2-CD2 3.97Å; L31-F58 HydrophobicContact CD2-CE1 4.26Å; L31-F58 HydrophobicContact CD2-CE2 3.9Å; L31-F58 HydrophobicContact CD2-CG 4.24Å; L31-F58 HydrophobicContact CD2-CZ 4.07Å; L31-F58 HydrophobicContact CG-CE2 4.49Å; L52-F58 HydrophobicContact CD2-CD2 4.13Å; L52-F58 HydrophobicContact CD2-CE2 3.56Å; F58-F60 AromaticContact CD1-CD2 3.48Å; F58-F60 HydrophobicContact CD1-CD2 3.48Å; F58-F60 VanDerWaalsContact CD1-CD2 3.48Å; F58-F60 HydrophobicContact CD1-CE1 4.3Å; F58-F60 AromaticContact CD1-CE2 3.19Å; F58-F60 HydrophobicContact CD1-CE2 3.19Å; F58-F60 HydrophobicContact CD1-CG 4.19Å; F58-F60 AromaticContact CD1-CZ 3.62Å; F58-F60 HydrophobicContact CD1-CZ 3.62Å; F58-F60 AromaticContact CE1-CD1 3.75Å; F58-F60 HydrophobicContact CE1-CD1 3.75Å; F58-F60 AromaticContact CE1-CD2 3.49Å; F58-F60 HydrophobicContact CE1-CD2 3.49Å; F58-F60 VanDerWaalsContact CE1-CD2 3.49Å; F58-F60 AromaticContact CE1-CE1 3.43Å; F58-F60 HydrophobicContact CE1-CE1 3.43Å; F58-F60 VanDerWaalsContact CE1-CE1 3.43Å; F58-F60 AromaticContact CE1-CE2 3.2Å; F58-F60 HydrophobicContact CE1-CE2 3.2Å; F58-F60 AromaticContact CE1-CG 3.78Å; F58-F60 HydrophobicContact CE1-CG 3.78Å; F58-F60 AromaticContact CE1-CZ 3.12Å; F58-F60 HydrophobicContact CE1-CZ 3.12Å; F58-F60 HydrophobicContact CG-CE2 4.43Å; F58-F60 HydrophobicContact CZ-CE1 4.16Å; F58-F60 HydrophobicContact CZ-CE2 4.4Å; F58-F60 AromaticContact CZ-CZ 4Å; F58-F60 HydrophobicContact CZ-CZ 4Å; F58-I63 HydrophobicContact CE1-CD1 3.53Å; F58-I63 HydrophobicContact CE2-CD1 4.33Å; F58-I63 HydrophobicContact CZ-CD1 3.41Å; F58-I63 VanDerWaalsContact CZ-CD1 3.41Å; F58-M75 HydrophobicContact CE2-CE 3.95Å; F58-M75 HydrophobicContact CZ-CE 3.67Å; F58-L76 HydrophobicContact CB-CD2 4.35Å; F58-L76 HydrophobicContact CD1-CD1 4.38Å; F58-L76 HydrophobicContact CD2-CD2 3.66Å; F58-L76 HydrophobicContact CD2-CG 4.49Å; F58-L76 HydrophobicContact CE2-CD2 4.11Å; F58-L76 HydrophobicContact CG-CD1 4.38Å; F58-L76 HydrophobicContact CG-CD2 3.95Å; F58-L82 HydrophobicContact CB-CD1 3.67Å; F58-L82 HydrophobicContact CB-CD2 4.39Å; F58-N84 PolarHBondContact N-O 3.29Å; F58-S86 PolarHBondContact O-N 2.89Å; F58-S86 VanDerWaalsContact O-N 3.13Å
59N78.6Confident75.9Confident50 Ų5050.9 Ų50.927%0.26729%0.288SS..EExtended strand (participates in β ladder)trans-115.4108.9-179.7-171.4-5.6000110.5S61 T62 S86N59-S61 VanDerWaalsContact CG-OG 3.25Å; N59-S61 PolarHBondContact ND2-OG 2.89Å; N59-S61 PolarHBondContact O-N 3.01Å; N59-S61 WeakPolarHBondContact OD1-CB 3.47Å; N59-S61 PolarHBondContact OD1-N 3.42Å; N59-S61 VanDerWaalsContact OD1-N 3.09Å; N59-S61 PolarHBondContact OD1-OG 3.12Å; N59-T62 HydrophobicContact CB-CG2 4.41Å; N59-T62 PolarHBondContact O-N 3.45Å; N59-T62 PolarHBondContact O-OG1 3.25Å; N59-S86 WeakPolarHBondContact OD1-CB 3.34Å; N59-S86 PolarHBondContact OD1-OG 3.11Å
60F70.3Confident74.9Confident1 Ų156.9 Ų56.90%0.00432%0.316CS..G310 helixtrans-66-21-178-73.7-97.6000112.9F58 T62 I63 I67 F72 L76 L85 S86 L87 N89 C90F58-F60 AromaticContact CD1-CD2 3.48Å; F58-F60 HydrophobicContact CD1-CD2 3.48Å; F58-F60 VanDerWaalsContact CD1-CD2 3.48Å; F58-F60 HydrophobicContact CD1-CE1 4.3Å; F58-F60 AromaticContact CD1-CE2 3.19Å; F58-F60 HydrophobicContact CD1-CE2 3.19Å; F58-F60 HydrophobicContact CD1-CG 4.19Å; F58-F60 AromaticContact CD1-CZ 3.62Å; F58-F60 HydrophobicContact CD1-CZ 3.62Å; F58-F60 AromaticContact CE1-CD1 3.75Å; F58-F60 HydrophobicContact CE1-CD1 3.75Å; F58-F60 AromaticContact CE1-CD2 3.49Å; F58-F60 HydrophobicContact CE1-CD2 3.49Å; F58-F60 VanDerWaalsContact CE1-CD2 3.49Å; F58-F60 AromaticContact CE1-CE1 3.43Å; F58-F60 HydrophobicContact CE1-CE1 3.43Å; F58-F60 VanDerWaalsContact CE1-CE1 3.43Å; F58-F60 AromaticContact CE1-CE2 3.2Å; F58-F60 HydrophobicContact CE1-CE2 3.2Å; F58-F60 AromaticContact CE1-CG 3.78Å; F58-F60 HydrophobicContact CE1-CG 3.78Å; F58-F60 AromaticContact CE1-CZ 3.12Å; F58-F60 HydrophobicContact CE1-CZ 3.12Å; F58-F60 HydrophobicContact CG-CE2 4.43Å; F58-F60 HydrophobicContact CZ-CE1 4.16Å; F58-F60 HydrophobicContact CZ-CE2 4.4Å; F58-F60 AromaticContact CZ-CZ 4Å; F58-F60 HydrophobicContact CZ-CZ 4Å; F60-T62 PolarHBondContact O-N 2.94Å; F60-T62 VanDerWaalsContact O-N 3.16Å; F60-I63 HydrophobicContact CD1-CD1 4.44Å; F60-I63 PolarHBondContact O-N 3.48Å; F60-I67 HydrophobicContact CD1-CD1 3.32Å; F60-I67 HydrophobicContact CD1-CG1 4.06Å; F60-I67 HydrophobicContact CE1-CD1 3.52Å; F60-I67 HydrophobicContact CE1-CG1 4.4Å; F60-I67 HydrophobicContact CG-CD1 4.48Å; F60-F72 HydrophobicContact CD1-CD2 4.48Å; F60-F72 AromaticContact CE1-CD2 3.38Å; F60-F72 HydrophobicContact CE1-CD2 3.38Å; F60-F72 AromaticContact CE1-CE2 3.85Å; F60-F72 HydrophobicContact CE1-CE2 3.85Å; F60-F72 HydrophobicContact CE1-CG 4.41Å; F60-F72 AromaticContact CE2-CD2 3.93Å; F60-F72 HydrophobicContact CE2-CD2 3.93Å; F60-F72 AromaticContact CE2-CE2 3.49Å; F60-F72 HydrophobicContact CE2-CE2 3.49Å; F60-F72 VanDerWaalsContact CE2-CE2 3.49Å; F60-F72 HydrophobicContact CE2-CZ 4.47Å; F60-F72 AromaticContact CZ-CD2 3.05Å; F60-F72 HydrophobicContact CZ-CD2 3.05Å; F60-F72 AromaticContact CZ-CE2 3.09Å; F60-F72 HydrophobicContact CZ-CE2 3.09Å; F60-F72 HydrophobicContact CZ-CG 4.13Å; F60-F72 HydrophobicContact CZ-CZ 4.21Å; F60-L76 HydrophobicContact CE2-CD1 4.38Å; F60-L76 HydrophobicContact CZ-CD1 4.26Å; F60-L85 HydrophobicContact CE2-CD1 4.07Å; F60-S86 WeakPolarHBondContact CB-O 3.47Å; F60-S86 WeakPolarHBondContact CD2-O 3.48Å; F60-S86 PolarHBondContact N-O 3.16Å; F60-L87 HydrophobicContact CD2-CD2 4.32Å; F60-L87 HydrophobicContact CE2-CD2 4.12Å; F60-N89 HydrophobicContact CB-CB 4.17Å; F60-N89 PolarHBondContact O-ND2 3.32Å; F60-C90 WeakPolarHBondContact CD1-SG 3.4Å
61S63Low74Confident48 Ų4856.8 Ų56.834%0.33632%0.319SS..G310 helixtrans-59.1-28.5175.675.10000112.8N59 N89N59-S61 VanDerWaalsContact CG-OG 3.25Å; N59-S61 PolarHBondContact ND2-OG 2.89Å; N59-S61 PolarHBondContact O-N 3.01Å; N59-S61 WeakPolarHBondContact OD1-CB 3.47Å; N59-S61 PolarHBondContact OD1-N 3.42Å; N59-S61 VanDerWaalsContact OD1-N 3.09Å; N59-S61 PolarHBondContact OD1-OG 3.12Å; S61-N89 WeakPolarHBondContact CA-ND2 3.4Å; S61-N89 PolarHBondContact O-ND2 3.07Å
62T61.2Low73.5Confident63 Ų6355.2 Ų55.239%0.38731%0.313SS..G310 helixtrans-87.2-2.9-176.465.70000114.4Q32 N59 F60Q32-T62 WeakPolarHBondContact CB-O 3.03Å; N59-T62 HydrophobicContact CB-CG2 4.41Å; N59-T62 PolarHBondContact O-N 3.45Å; N59-T62 PolarHBondContact O-OG1 3.25Å; F60-T62 PolarHBondContact O-N 2.94Å; F60-T62 VanDerWaalsContact O-N 3.16Å
63I62.6Low72.8Confident19 Ų1957.7 Ų57.710%0.09733%0.329CS..G310 helixtrans-97.4-4.1-175.4-58.2169.9000112.2L31 F58 F60 I67L31-I63 HydrophobicContact CB-CG1 3.98Å; L31-I63 HydrophobicContact CD2-CD1 3.51Å; L31-I63 HydrophobicContact CD2-CG1 3.8Å; L31-I63 HydrophobicContact CG-CD1 3.68Å; L31-I63 HydrophobicContact CG-CG1 3.65Å; F58-I63 HydrophobicContact CE1-CD1 3.53Å; F58-I63 HydrophobicContact CE2-CD1 4.33Å; F58-I63 HydrophobicContact CZ-CD1 3.41Å; F58-I63 VanDerWaalsContact CZ-CD1 3.41Å; F60-I63 HydrophobicContact CD1-CD1 4.44Å; F60-I63 PolarHBondContact O-N 3.48Å; I63-I67 HydrophobicContact CB-CD1 3.8Å; I63-I67 HydrophobicContact CB-CG1 4.31Å; I63-I67 HydrophobicContact CD1-CD1 3.38Å; I63-I67 HydrophobicContact CG1-CD1 4.18Å; I63-I67 HydrophobicContact CG2-CD1 3.44Å; I63-I67 VanDerWaalsContact CG2-CD1 3.44Å; I63-I67 HydrophobicContact CG2-CG1 3.78Å
64G57.5Low72.2Confident16 Ų1660.2 Ų60.217%0.16534%0.342CS..  trans84.3-179.7-174.500000112.8C66 N89G64-C66 PolarHBondContact O-N 2.96Å; G64-N89 PolarHBondContact O-ND2 3.38Å; G64-N89 VanDerWaalsContact O-ND2 3.12Å
65P57.7Low72Confident125 Ų12556.6 Ų56.681%0.81232%0.323SS*.SBendtrans-74.4125.6-175.428.3-31.3000110.9
66C55.9Low71.9Confident107 Ų10756.2 Ų56.272%0.72332%0.32SS*.  trans72.389.8171.1-59.50000116.8G64G64-C66 PolarHBondContact O-N 2.96Å
67I64.4Low71.7Confident10 Ų1055 Ų555%0.05132%0.319CS..  trans-73.6128.3155.5-57.7-161.4000108.3F60 I63 K69 A71 M75F60-I67 HydrophobicContact CD1-CD1 3.32Å; F60-I67 HydrophobicContact CD1-CG1 4.06Å; F60-I67 HydrophobicContact CE1-CD1 3.52Å; F60-I67 HydrophobicContact CE1-CG1 4.4Å; F60-I67 HydrophobicContact CG-CD1 4.48Å; I63-I67 HydrophobicContact CB-CD1 3.8Å; I63-I67 HydrophobicContact CB-CG1 4.31Å; I63-I67 HydrophobicContact CD1-CD1 3.38Å; I63-I67 HydrophobicContact CG1-CD1 4.18Å; I63-I67 HydrophobicContact CG2-CD1 3.44Å; I63-I67 VanDerWaalsContact CG2-CD1 3.44Å; I63-I67 HydrophobicContact CG2-CG1 3.78Å; I67-K69 PolarHBondContact O-N 2.94Å; I67-A71 HydrophobicContact CG2-CB 3.75Å; I67-M75 HydrophobicContact CG2-SD 4.31Å
68P67.8Low71.9Confident81 Ų8156.1 Ų56.153%0.52632%0.322SS..  trans-57.8138.3172.1-21.731.8000110.6E70 A71 F72P68-E70 PolarHBondContact O-N 2.84Å; P68-E70 VanDerWaalsContact O-N 3.11Å; P68-A71 HydrophobicContact CB-CB 4.35Å; P68-A71 WeakPolarHBondContact O-CA 3.33Å; P68-A71 WeakPolarHBondContact O-CB 3.4Å; P68-A71 PolarHBondContact O-N 2.74Å; P68-F72 PolarHBondContact O-N 3.27Å
69K69.2Low72.2Confident99 Ų9956.1 Ų56.143%0.4332%0.322SS..Hα-helixtrans-48.8-42.1-179.7175.9168.4175.2148.70113.6I67 A71 F72 W93 E98I67-K69 PolarHBondContact O-N 2.94Å; K69-A71 VanDerWaalsContact C-N 3.29Å; K69-A71 PolarHBondContact O-N 2.8Å; K69-F72 PolarHBondContact O-N 3.25Å; K69-W93 HydrophobicContact CB-CD2 4.45Å; K69-W93 HydrophobicContact CB-CE3 3.95Å; K69-W93 HydrophobicContact CB-CH2 4.44Å; K69-W93 HydrophobicContact CB-CZ3 3.98Å; K69-W93 HydrophobicContact CD-CE3 4.1Å; K69-W93 HydrophobicContact CD-CZ3 4.43Å; K69-W93 HydrophobicContact CG-CE3 3.84Å; K69-W93 HydrophobicContact CG-CZ3 3.75Å; K69-E98 WeakPolarHBondContact CE-OE1 3.39Å; K69-E98 VanDerWaalsContact NZ-CD 3.29Å; K69-E98 IonicContact NZ-OE1 3.59Å; K69-E98 PolarHBondContact NZ-OE1 2.96Å; K69-E98 IonicContact NZ-OE2 3.41Å; K69-E98 PolarHBondContact NZ-OE2 3.18Å
70E68.7Low72.9Confident165 Ų16559.9 Ų59.977%0.77134%0.336SS*.Hα-helixtrans-65.6-31.3178.7-63.5-179.6174.600113P68 T74P68-E70 PolarHBondContact O-N 2.84Å; P68-E70 VanDerWaalsContact O-N 3.11Å; E70-T74 WeakPolarHBondContact O-CB 3.21Å; E70-T74 PolarHBondContact O-N 2.87Å; E70-T74 PolarHBondContact O-OG1 3.23Å
71A73.1Confident74Confident29 Ų2962.4 Ų62.424%0.2435%0.352CS..Hα-helixtrans-71.3-36.9179.100000111.3I67 P68 K69 C73 T74 M75I67-A71 HydrophobicContact CG2-CB 3.75Å; P68-A71 HydrophobicContact CB-CB 4.35Å; P68-A71 WeakPolarHBondContact O-CA 3.33Å; P68-A71 WeakPolarHBondContact O-CB 3.4Å; P68-A71 PolarHBondContact O-N 2.74Å; K69-A71 VanDerWaalsContact C-N 3.29Å; K69-A71 PolarHBondContact O-N 2.8Å; A71-C73 PolarHBondContact O-N 3.3Å; A71-T74 PolarHBondContact O-N 2.73Å; A71-M75 HydrophobicContact CB-SD 4.11Å; A71-M75 WeakPolarHBondContact O-CB 3.4Å; A71-M75 WeakPolarHBondContact O-CG 3.46Å; A71-M75 PolarHBondContact O-N 2.73Å
72F77.9Confident75.5Confident0 Ų060.1 Ų60.10%034%0.336CS..Hα-helixtrans-54.3-55.6179.3178.2-80.2000112.8F60 P68 K69 T74 M75 L76 L87 W93 V94 E98 V102F60-F72 HydrophobicContact CD1-CD2 4.48Å; F60-F72 AromaticContact CE1-CD2 3.38Å; F60-F72 HydrophobicContact CE1-CD2 3.38Å; F60-F72 AromaticContact CE1-CE2 3.85Å; F60-F72 HydrophobicContact CE1-CE2 3.85Å; F60-F72 HydrophobicContact CE1-CG 4.41Å; F60-F72 AromaticContact CE2-CD2 3.93Å; F60-F72 HydrophobicContact CE2-CD2 3.93Å; F60-F72 AromaticContact CE2-CE2 3.49Å; F60-F72 HydrophobicContact CE2-CE2 3.49Å; F60-F72 VanDerWaalsContact CE2-CE2 3.49Å; F60-F72 HydrophobicContact CE2-CZ 4.47Å; F60-F72 AromaticContact CZ-CD2 3.05Å; F60-F72 HydrophobicContact CZ-CD2 3.05Å; F60-F72 AromaticContact CZ-CE2 3.09Å; F60-F72 HydrophobicContact CZ-CE2 3.09Å; F60-F72 HydrophobicContact CZ-CG 4.13Å; F60-F72 HydrophobicContact CZ-CZ 4.21Å; P68-F72 PolarHBondContact O-N 3.27Å; K69-F72 PolarHBondContact O-N 3.25Å; F72-T74 VanDerWaalsContact C-N 3.28Å; F72-T74 PolarHBondContact O-N 2.99Å; F72-M75 PolarHBondContact O-N 2.78Å; F72-L76 PolarHBondContact O-N 2.83Å; F72-L87 HydrophobicContact CE2-CD2 3.81Å; F72-L87 HydrophobicContact CZ-CD2 4.09Å; F72-W93 HydrophobicContact CB-CH2 3.5Å; F72-W93 VanDerWaalsContact CB-CH2 3.5Å; F72-W93 HydrophobicContact CB-CZ2 4.3Å; F72-W93 HydrophobicContact CB-CZ3 4.39Å; F72-W93 AromaticContact CD2-CH2 3.83Å; F72-W93 HydrophobicContact CD2-CH2 3.83Å; F72-W93 HydrophobicContact CD2-CZ2 4.45Å; F72-W93 AromaticContact CG-CH2 3.74Å; F72-W93 HydrophobicContact CG-CH2 3.74Å; F72-V94 HydrophobicContact CZ-CG2 4.46Å; F72-E98 HydrophobicContact CD1-CB 4.03Å; F72-E98 HydrophobicContact CE1-CB 4.12Å; F72-E98 WeakPolarHBondContact CE1-O 3.47Å; F72-V102 HydrophobicContact CE1-CG2 3.82Å; F72-V102 HydrophobicContact CZ-CG2 4.31Å
73C75.3Confident77.1Confident52 Ų5260 Ų6035%0.35133%0.331SS..Hα-helixtrans-65.6-36.5-178-66.40000111.2A71 K77A71-C73 PolarHBondContact O-N 3.3Å; C73-K77 WeakPolarHBondContact O-CA 3.3Å; C73-K77 WeakPolarHBondContact O-CB 3.17Å; C73-K77 PolarHBondContact O-N 3.13Å; C73-K77 VanDerWaalsContact O-N 3.16Å
74T78.6Confident78.6Confident79 Ų7961.5 Ų61.549%0.48534%0.339SS..Hα-helixtrans-70.8-39.2-179-52.50000111.5E70 A71 F72E70-T74 WeakPolarHBondContact O-CB 3.21Å; E70-T74 PolarHBondContact O-N 2.87Å; E70-T74 PolarHBondContact O-OG1 3.23Å; A71-T74 PolarHBondContact O-N 2.73Å; F72-T74 VanDerWaalsContact C-N 3.28Å; F72-T74 PolarHBondContact O-N 2.99Å
75M83.1Confident80.3Confident5 Ų560.9 Ų60.93%0.02533%0.332CS..Hα-helixtrans-69.6-34.3-176.7-74.6172.37700113.3V35 L52 F58 I67 A71 F72V35-M75 HydrophobicContact CB-CE 4.19Å; V35-M75 HydrophobicContact CG1-CE 3.74Å; V35-M75 HydrophobicContact CG1-SD 4.33Å; V35-M75 HydrophobicContact CG2-CE 3.29Å; L52-M75 WeakPolarHBondContact CB-O 3.37Å; L52-M75 HydrophobicContact CD1-CB 3.86Å; L52-M75 HydrophobicContact CD1-CE 4.07Å; L52-M75 HydrophobicContact CD1-CG 3.89Å; L52-M75 HydrophobicContact CD2-CE 4.17Å; F58-M75 HydrophobicContact CE2-CE 3.95Å; F58-M75 HydrophobicContact CZ-CE 3.67Å; I67-M75 HydrophobicContact CG2-SD 4.31Å; A71-M75 HydrophobicContact CB-SD 4.11Å; A71-M75 WeakPolarHBondContact O-CB 3.4Å; A71-M75 WeakPolarHBondContact O-CG 3.46Å; A71-M75 PolarHBondContact O-N 2.73Å; F72-M75 PolarHBondContact O-N 2.78Å
76L86.6Confident82Confident1 Ų155.5 Ų55.51%0.00530%0.297CS..THydrogen-bonded Turntrans-105.18-178.6-65.4177000112.9F58 F60 F72 D78 N79 L85 V102F58-L76 HydrophobicContact CB-CD2 4.35Å; F58-L76 HydrophobicContact CD1-CD1 4.38Å; F58-L76 HydrophobicContact CD2-CD2 3.66Å; F58-L76 HydrophobicContact CD2-CG 4.49Å; F58-L76 HydrophobicContact CE2-CD2 4.11Å; F58-L76 HydrophobicContact CG-CD1 4.38Å; F58-L76 HydrophobicContact CG-CD2 3.95Å; F60-L76 HydrophobicContact CE2-CD1 4.38Å; F60-L76 HydrophobicContact CZ-CD1 4.26Å; F72-L76 PolarHBondContact O-N 2.83Å; L76-D78 VanDerWaalsContact C-N 3.31Å; L76-D78 PolarHBondContact O-N 2.83Å; L76-N79 HydrophobicContact CD2-CB 4.2Å; L76-N79 PolarHBondContact O-N 2.92Å; L76-L85 HydrophobicContact CD1-CD1 4.38Å; L76-V102 HydrophobicContact CB-CG1 4.38Å; L76-V102 HydrophobicContact CB-CG2 3.98Å; L76-V102 HydrophobicContact CD1-CG1 3.96Å; L76-V102 HydrophobicContact CD1-CG2 4.26Å
77K85.6Confident83.6Confident130 Ų13050.4 Ų50.457%0.56526%0.263SS*.THydrogen-bonded Turntrans-55.7-45.2-175.1-174.3-177.7172.5-1710112.8C73 Q105C73-K77 WeakPolarHBondContact O-CA 3.3Å; C73-K77 WeakPolarHBondContact O-CB 3.17Å; C73-K77 PolarHBondContact O-N 3.13Å; C73-K77 VanDerWaalsContact O-N 3.16Å; K77-Q105 PolarHBondContact O-NE2 3.35Å; K77-Q105 PolarHBondContact O-OE1 3.4Å
78D88.3Confident84.2Confident99 Ų9955.3 Ų55.353%0.52929%0.286SS..THydrogen-bonded Turntrans-101.24-174.1-59.5-45.1000112.6A53 L76A53-D78 HydrophobicContact CB-CB 4.33Å; L76-D78 VanDerWaalsContact C-N 3.31Å; L76-D78 PolarHBondContact O-N 2.83Å
79N90.6Very high84.5Confident0 Ų054 Ų540%027%0.274CS..  trans-82.4121.3179.1-171.9-49.6000111.3L52 C55 L76 V81 L82 N106L52-N79 PolarHBondContact O-ND2 3.36Å; C55-N79 PolarHBondContact O-ND2 2.87Å; C55-N79 PolarHBondContact SG-ND2 3.14Å; L76-N79 HydrophobicContact CD2-CB 4.2Å; L76-N79 PolarHBondContact O-N 2.92Å; N79-V81 PolarHBondContact OD1-N 3.31Å; N79-V81 VanDerWaalsContact OD1-N 3.07Å; N79-L82 WeakPolarHBondContact OD1-CB 3.29Å; N79-L82 PolarHBondContact OD1-N 3.5Å; N79-N106 PolarHBondContact O-ND2 2.8Å; N79-N106 PolarHBondContact O-OD1 2.9Å; N79-N106 PolarHBondContact OD1-OD1 3.5Å; N79-N106 VanDerWaalsContact OD1-OD1 3.11Å
80K93.1Very high85Confident128 Ų12849.3 Ų49.356%0.55725%0.254SS*.  trans-126.28.5179.2-58.2-178.7-177.1176.60113.4N106K80-N106 WeakPolarHBondContact CA-OD1 3.06Å
81V93.8Very high85.7Confident55 Ų5542.2 Ų42.233%0.33322%0.222SC..  trans-12210.4-173.2-60.40000112.2N79 Q83 N106N79-V81 PolarHBondContact OD1-N 3.31Å; N79-V81 VanDerWaalsContact OD1-N 3.07Å; V81-Q83 PolarHBondContact O-N 3.23Å; V81-N106 PolarHBondContact N-OD1 2.93Å; V81-N106 VanDerWaalsContact N-OD1 3.12Å
82L93.9Very high86.2Confident0 Ų047.3 Ų47.30%025%0.245CC..  trans-65.2131.2-177.8-160.466.1000110.4F58 N79 L85 V102 N106 H108 L109F58-L82 HydrophobicContact CB-CD1 3.67Å; F58-L82 HydrophobicContact CB-CD2 4.39Å; N79-L82 WeakPolarHBondContact OD1-CB 3.29Å; N79-L82 PolarHBondContact OD1-N 3.5Å; L82-L85 HydrophobicContact CD2-CB 3.85Å; L82-L85 HydrophobicContact CD2-CD1 3.95Å; L82-L85 HydrophobicContact CD2-CG 4.31Å; L82-V102 HydrophobicContact CD2-CG1 4.41Å; L82-N106 HydrophobicContact CB-CB 4.05Å; L82-N106 VanDerWaalsContact CB-OD1 3.24Å; L82-N106 WeakPolarHBondContact CB-OD1 3.43Å; L82-N106 PolarHBondContact N-OD1 3.45Å; L82-H108 CarbonylContact O-C 3.57Å; L82-L109 HydrophobicContact CB-CD2 4.12Å; L82-L109 HydrophobicContact CD2-CD2 4.07Å; L82-L109 HydrophobicContact CG-CD2 3.9Å; L82-L109 PolarHBondContact O-N 3.4Å
83Q95.4Very high86.7Confident61 Ų6150.1 Ų50.129%0.28526%0.256SS..  trans-113.6-30.9178-63.6179.5-9.600111.4R56 V81 H110 R111R56-Q83 HydrophobicContact CB-CB 4.48Å; R56-Q83 HydrophobicContact CB-CG 4.35Å; R56-Q83 WeakPolarHBondContact O-CA 3.35Å; R56-Q83 PolarHBondContact O-N 3.26Å; V81-Q83 PolarHBondContact O-N 3.23Å; Q83-H110 PolarHBondContact O-N 3.37Å; Q83-R111 PolarHBondContact O-N 3.3Å
84N94.9Very high87.4Confident50 Ų5047.7 Ų47.727%0.26724%0.24SC..EExtended strand (participates in β ladder)trans-129.6118.4-178.4-53.8-52.9000110.6R56 T57 F58 R111R56-N84 PolarHBondContact O-N 2.76Å; T57-N84 WeakPolarHBondContact CA-O 3.26Å; T57-N84 HydrophobicContact CG2-CB 3.98Å; T57-N84 PolarHBondContact OG1-ND2 2.97Å; F58-N84 PolarHBondContact N-O 3.29Å; N84-R111 CarbonylContact C-O 3.57Å; N84-R111 WeakPolarHBondContact CA-O 3.28Å; N84-R111 HydrophobicContact CB-CB 4.3Å; N84-R111 VanDerWaalsContact OD1-CB 3.26Å; N84-R111 WeakPolarHBondContact OD1-CB 3.44Å
85L93.7Very high88.1Confident3 Ų345.6 Ų45.62%0.01623%0.227CC..EExtended strand (participates in β ladder)trans-122.2132177.7177.961.4000110.2F60 L76 L82 L87 L99 V102 I103 L109 R111 V112 D113F60-L85 HydrophobicContact CE2-CD1 4.07Å; L76-L85 HydrophobicContact CD1-CD1 4.38Å; L82-L85 HydrophobicContact CD2-CB 3.85Å; L82-L85 HydrophobicContact CD2-CD1 3.95Å; L82-L85 HydrophobicContact CD2-CG 4.31Å; L85-L87 HydrophobicContact CD1-CD2 4.02Å; L85-L87 HydrophobicContact CD2-CD2 4.47Å; L85-L87 HydrophobicContact CG-CD2 4.21Å; L85-L99 HydrophobicContact CD2-CD1 3.92Å; L85-V102 HydrophobicContact CD2-CG1 4.22Å; L85-I103 HydrophobicContact CD2-CD1 3.96Å; L85-L109 HydrophobicContact CB-CD2 3.95Å; L85-R111 PolarHBondContact N-O 2.79Å; L85-V112 CarbonylContact O-C 3.45Å; L85-V112 WeakPolarHBondContact O-CA 3.47Å; L85-D113 PolarHBondContact O-N 3.04Å
86S92.1Very high88.7Confident12 Ų1246.4 Ų46.48%0.08423%0.231CC..EExtended strand (participates in β ladder)trans-137.6120.6175.9166.80000112.5F58 N59 F60F58-S86 PolarHBondContact O-N 2.89Å; F58-S86 VanDerWaalsContact O-N 3.13Å; N59-S86 WeakPolarHBondContact OD1-CB 3.34Å; N59-S86 PolarHBondContact OD1-OG 3.11Å; F60-S86 WeakPolarHBondContact CB-O 3.47Å; F60-S86 WeakPolarHBondContact CD2-O 3.48Å; F60-S86 PolarHBondContact N-O 3.16Å
87L89Confident89Confident0 Ų054.6 Ų54.60%027%0.267CS..  trans-95.611.5-171.9-56.7-177.7000115.2F60 F72 L85 N89 C90 S91 V94 L99 D113 M114 L120F60-L87 HydrophobicContact CD2-CD2 4.32Å; F60-L87 HydrophobicContact CE2-CD2 4.12Å; F72-L87 HydrophobicContact CE2-CD2 3.81Å; F72-L87 HydrophobicContact CZ-CD2 4.09Å; L85-L87 HydrophobicContact CD1-CD2 4.02Å; L85-L87 HydrophobicContact CD2-CD2 4.47Å; L85-L87 HydrophobicContact CG-CD2 4.21Å; L87-N89 PolarHBondContact O-N 3.32Å; L87-C90 CarbonylContact O-C 3.5Å; L87-C90 PolarHBondContact O-N 2.8Å; L87-S91 PolarHBondContact O-N 3.13Å; L87-S91 VanDerWaalsContact O-N 3.15Å; L87-V94 HydrophobicContact CD1-CG1 4.16Å; L87-V94 HydrophobicContact CD1-CG2 4.47Å; L87-L99 HydrophobicContact CD1-CD1 3.88Å; L87-L99 HydrophobicContact CD1-CD2 3.88Å; L87-L99 HydrophobicContact CD1-CG 4.47Å; L87-L99 HydrophobicContact CD2-CD1 4.39Å; L87-D113 PolarHBondContact N-O 3.36Å; L87-M114 HydrophobicContact CD1-CB 4.48Å; L87-M114 HydrophobicContact CD1-CG 3.89Å; L87-L120 HydrophobicContact CD1-CD1 4.37Å
88Q78.8Confident89.2Confident113 Ų11349.1 Ų49.153%0.52824%0.243SC..THydrogen-bonded Turntrans-54.7-27-167.9-163.5-179.5-10.500115.8
89N73.9Confident89.4Confident53 Ų5344.4 Ų44.428%0.28322%0.218SC..THydrogen-bonded Turntrans-101.49.3176.8-71.36.7000113.8F60 S61 G64 L87F60-N89 HydrophobicContact CB-CB 4.17Å; F60-N89 PolarHBondContact O-ND2 3.32Å; S61-N89 WeakPolarHBondContact CA-ND2 3.4Å; S61-N89 PolarHBondContact O-ND2 3.07Å; G64-N89 PolarHBondContact O-ND2 3.38Å; G64-N89 VanDerWaalsContact O-ND2 3.12Å; L87-N89 PolarHBondContact O-N 3.32Å
90C79.6Confident89.6Confident1 Ų147.3 Ų47.31%0.00723%0.233CC..THydrogen-bonded Turntrans-127.64178.1-60.20000112.3F60 L87 D92 W93 V94F60-C90 WeakPolarHBondContact CD1-SG 3.4Å; L87-C90 CarbonylContact O-C 3.5Å; L87-C90 PolarHBondContact O-N 2.8Å; C90-D92 PolarHBondContact O-N 3.24Å; C90-D92 VanDerWaalsContact O-N 3.13Å; C90-W93 HydrophobicContact CB-CH2 4.25Å; C90-W93 HydrophobicContact CB-CZ2 3.57Å; C90-W93 PolarHBondContact O-N 3.39Å; C90-W93 WeakPolarHBondContact SG-CZ2 3.11Å; C90-V94 HydrophobicContact CB-CB 4.36Å; C90-V94 VanDerWaalsContact O-CB 3.27Å; C90-V94 WeakPolarHBondContact O-CB 3.21Å; C90-V94 WeakPolarHBondContact O-CG1 3.44Å; C90-V94 PolarHBondContact O-N 3.39Å
91S82.2Confident89.6Confident16 Ų1644.5 Ų44.511%0.11223%0.228CC..THydrogen-bonded Turntrans-54.7-32.7-175.252.70000114.2L87 G116 C117 A118L87-S91 PolarHBondContact O-N 3.13Å; L87-S91 VanDerWaalsContact O-N 3.15Å; S91-G116 WeakPolarHBondContact CB-O 3.38Å; S91-C117 WeakPolarHBondContact O-CA 3.5Å; S91-A118 PolarHBondContact O-N 3.25Å
92D84.9Confident89.6Confident135 Ų13542.1 Ų42.172%0.72221%0.214SC*.THydrogen-bonded Turntrans-74.7-28.9-173.4-59.4-16.9000112.6C90 S119C90-D92 PolarHBondContact O-N 3.24Å; C90-D92 VanDerWaalsContact O-N 3.13Å; D92-S119 PolarHBondContact O-OG 2.98Å
93W86.9Confident89.6Confident60 Ų6042.1 Ų42.123%0.22721%0.214CC..THydrogen-bonded Turntrans-123.6-18.3-171.465.1-100.6000114.4K69 F72 C90 T95 E98K69-W93 HydrophobicContact CB-CD2 4.45Å; K69-W93 HydrophobicContact CB-CE3 3.95Å; K69-W93 HydrophobicContact CB-CH2 4.44Å; K69-W93 HydrophobicContact CB-CZ3 3.98Å; K69-W93 HydrophobicContact CD-CE3 4.1Å; K69-W93 HydrophobicContact CD-CZ3 4.43Å; K69-W93 HydrophobicContact CG-CE3 3.84Å; K69-W93 HydrophobicContact CG-CZ3 3.75Å; F72-W93 HydrophobicContact CB-CH2 3.5Å; F72-W93 VanDerWaalsContact CB-CH2 3.5Å; F72-W93 HydrophobicContact CB-CZ2 4.3Å; F72-W93 HydrophobicContact CB-CZ3 4.39Å; F72-W93 AromaticContact CD2-CH2 3.83Å; F72-W93 HydrophobicContact CD2-CH2 3.83Å; F72-W93 HydrophobicContact CD2-CZ2 4.45Å; F72-W93 AromaticContact CG-CH2 3.74Å; F72-W93 HydrophobicContact CG-CH2 3.74Å; C90-W93 HydrophobicContact CB-CH2 4.25Å; C90-W93 HydrophobicContact CB-CZ2 3.57Å; C90-W93 PolarHBondContact O-N 3.39Å; C90-W93 WeakPolarHBondContact SG-CZ2 3.11Å; W93-T95 PolarHBondContact O-N 3.44Å; W93-E98 HydrophobicContact CZ3-CG 4.24Å
94V90.6Very high89.6Confident0 Ų041.1 Ų41.10%022%0.219CC..  trans-66.2126.1-177.670.10000110.4F72 L87 C90 E98 L99 C117 S119 L120F72-V94 HydrophobicContact CZ-CG2 4.46Å; L87-V94 HydrophobicContact CD1-CG1 4.16Å; L87-V94 HydrophobicContact CD1-CG2 4.47Å; C90-V94 HydrophobicContact CB-CB 4.36Å; C90-V94 VanDerWaalsContact O-CB 3.27Å; C90-V94 WeakPolarHBondContact O-CB 3.21Å; C90-V94 WeakPolarHBondContact O-CG1 3.44Å; C90-V94 PolarHBondContact O-N 3.39Å; V94-E98 HydrophobicContact CG2-CB 4.36Å; V94-L99 HydrophobicContact CG2-CB 4.36Å; V94-C117 HydrophobicContact CG1-CB 4.18Å; V94-S119 CarbonylContact O-C 3.52Å; V94-S119 WeakPolarHBondContact O-CB 3.46Å; V94-L120 HydrophobicContact CG1-CD2 4.26Å; V94-L120 HydrophobicContact CG1-CG 4.38Å
95T93.8Very high89.5Confident36 Ų3642.2 Ų42.222%0.22122%0.223CC..  trans-115.6169.6175.676.80000110.4W93 K97 E98 L99W93-T95 PolarHBondContact O-N 3.44Å; T95-K97 PolarHBondContact O-N 3.23Å; T95-K97 WeakPolarHBondContact OG1-CB 3.32Å; T95-K97 PolarHBondContact OG1-N 3.16Å; T95-E98 WeakPolarHBondContact CB-OE2 3.43Å; T95-E98 PolarHBondContact N-OE2 3.37Å; T95-E98 PolarHBondContact O-N 3.38Å; T95-E98 PolarHBondContact OG1-OE2 2.74Å; T95-L99 PolarHBondContact O-N 3.2Å; T95-L99 VanDerWaalsContact O-N 3.1Å
96D94.6Very high89.5Confident22 Ų2242.1 Ų42.112%0.11822%0.222CC..Hα-helixtrans-50.8-32.4172.9-62.40.2000111.9E98 L99 L100 T121 S124D96-E98 VanDerWaalsContact C-N 3.3Å; D96-E98 PolarHBondContact O-N 3.09Å; D96-L99 PolarHBondContact O-N 2.86Å; D96-L100 HydrophobicContact CB-CD1 3.97Å; D96-L100 HydrophobicContact CB-CG 4.12Å; D96-L100 WeakPolarHBondContact O-CB 3.45Å; D96-L100 WeakPolarHBondContact O-CG 3.34Å; D96-L100 PolarHBondContact O-N 3.16Å; D96-T121 PolarHBondContact OD1-N 2.93Å; D96-T121 WeakPolarHBondContact OD2-CB 3.25Å; D96-T121 PolarHBondContact OD2-OG1 2.96Å; D96-S124 VanDerWaalsContact CG-OG 3.29Å; D96-S124 PolarHBondContact OD1-OG 3.06Å
97K92.6Very high89.6Confident172 Ų17247.3 Ų47.375%0.74825%0.245SC*.Hα-helixtrans-60.7-38.7179.5-65.8-177.1178.5-179.20113T95 P101T95-K97 PolarHBondContact O-N 3.23Å; T95-K97 WeakPolarHBondContact OG1-CB 3.32Å; T95-K97 PolarHBondContact OG1-N 3.16Å; K97-P101 WeakPolarHBondContact O-CD 3.25Å
98E90.8Very high89.7Confident15 Ų1552.5 Ų52.57%0.0727%0.27CS..Hα-helixtrans-85.8-36.7-179.2-65.979.1-145.100111.2K69 F72 W93 V94 T95 D96K69-E98 WeakPolarHBondContact CE-OE1 3.39Å; K69-E98 VanDerWaalsContact NZ-CD 3.29Å; K69-E98 IonicContact NZ-OE1 3.59Å; K69-E98 PolarHBondContact NZ-OE1 2.96Å; K69-E98 IonicContact NZ-OE2 3.41Å; K69-E98 PolarHBondContact NZ-OE2 3.18Å; F72-E98 HydrophobicContact CD1-CB 4.03Å; F72-E98 HydrophobicContact CE1-CB 4.12Å; F72-E98 WeakPolarHBondContact CE1-O 3.47Å; W93-E98 HydrophobicContact CZ3-CG 4.24Å; V94-E98 HydrophobicContact CG2-CB 4.36Å; T95-E98 WeakPolarHBondContact CB-OE2 3.43Å; T95-E98 PolarHBondContact N-OE2 3.37Å; T95-E98 PolarHBondContact O-N 3.38Å; T95-E98 PolarHBondContact OG1-OE2 2.74Å; D96-E98 VanDerWaalsContact C-N 3.3Å; D96-E98 PolarHBondContact O-N 3.09Å
99L92.7Very high90.5Very high0 Ų047.1 Ų47.10%024%0.244CC..Hα-helixtrans-79.3-42.4-174.1-177.359.3000113.7L85 L87 V94 T95 D96 V102 I103 M114 L120L85-L99 HydrophobicContact CD2-CD1 3.92Å; L87-L99 HydrophobicContact CD1-CD1 3.88Å; L87-L99 HydrophobicContact CD1-CD2 3.88Å; L87-L99 HydrophobicContact CD1-CG 4.47Å; L87-L99 HydrophobicContact CD2-CD1 4.39Å; V94-L99 HydrophobicContact CG2-CB 4.36Å; T95-L99 PolarHBondContact O-N 3.2Å; T95-L99 VanDerWaalsContact O-N 3.1Å; D96-L99 PolarHBondContact O-N 2.86Å; L99-V102 WeakPolarHBondContact O-CB 3.46Å; L99-V102 PolarHBondContact O-N 3.18Å; L99-I103 HydrophobicContact CD1-CD1 4.13Å; L99-I103 HydrophobicContact CD1-CG1 3.92Å; L99-I103 HydrophobicContact CG-CG1 3.9Å; L99-I103 PolarHBondContact O-N 3.21Å; L99-M114 HydrophobicContact CD2-CG 4.44Å; L99-M114 HydrophobicContact CD2-SD 3.7Å; L99-L120 HydrophobicContact CB-CD2 4.33Å; L99-L120 HydrophobicContact CD2-CD1 3.77Å; L99-L120 HydrophobicContact CD2-CD2 3.83Å; L99-L120 HydrophobicContact CD2-CG 4.48Å
100L94.6Very high91.6Very high62 Ų6247.3 Ų47.333%0.32524%0.243SC..Hα-helixtrans-57.8-41-173.2-69179.2000113.9D96 V102 I103 G104 A127D96-L100 HydrophobicContact CB-CD1 3.97Å; D96-L100 HydrophobicContact CB-CG 4.12Å; D96-L100 WeakPolarHBondContact O-CB 3.45Å; D96-L100 WeakPolarHBondContact O-CG 3.34Å; D96-L100 PolarHBondContact O-N 3.16Å; L100-V102 VanDerWaalsContact C-N 3.28Å; L100-V102 PolarHBondContact O-N 2.99Å; L100-I103 PolarHBondContact O-N 3.33Å; L100-G104 PolarHBondContact O-N 3.22Å; L100-A127 HydrophobicContact CD2-CB 3.14Å
101P93.5Very high92.5Very high68 Ų6852.5 Ų52.544%0.44226%0.263SS..Hα-helixtrans-61.7-33.3174.8-24.235.1000113.8K97 Q105K97-P101 WeakPolarHBondContact O-CD 3.25Å; P101-Q105 VanDerWaalsContact O-CG 3.3Å; P101-Q105 WeakPolarHBondContact O-CG 3.29Å; P101-Q105 PolarHBondContact O-N 3.42Å; P101-Q105 PolarHBondContact O-NE2 3.48Å
102V92.9Very high93.2Very high5 Ų551.8 Ų51.83%0.0326%0.258CS..Hα-helixtrans-72.1-45.5178179.60000110.1F72 L76 L82 L85 L99 L100 Q105 N106F72-V102 HydrophobicContact CE1-CG2 3.82Å; F72-V102 HydrophobicContact CZ-CG2 4.31Å; L76-V102 HydrophobicContact CB-CG1 4.38Å; L76-V102 HydrophobicContact CB-CG2 3.98Å; L76-V102 HydrophobicContact CD1-CG1 3.96Å; L76-V102 HydrophobicContact CD1-CG2 4.26Å; L82-V102 HydrophobicContact CD2-CG1 4.41Å; L85-V102 HydrophobicContact CD2-CG1 4.22Å; L99-V102 WeakPolarHBondContact O-CB 3.46Å; L99-V102 PolarHBondContact O-N 3.18Å; L100-V102 VanDerWaalsContact C-N 3.28Å; L100-V102 PolarHBondContact O-N 2.99Å; V102-Q105 PolarHBondContact O-N 3.46Å; V102-N106 WeakPolarHBondContact O-CB 3.17Å; V102-N106 PolarHBondContact O-N 3.45Å; V102-N106 PolarHBondContact O-ND2 3.11Å
103I95Very high93.7Very high1 Ų146.6 Ų46.61%0.00523%0.23CC..Hα-helixtrans-62.7-47.8177.3-64-56.9000111.2L85 L99 L100 Q105 N106 L109 A127 V128L85-I103 HydrophobicContact CD2-CD1 3.96Å; L99-I103 HydrophobicContact CD1-CD1 4.13Å; L99-I103 HydrophobicContact CD1-CG1 3.92Å; L99-I103 HydrophobicContact CG-CG1 3.9Å; L99-I103 PolarHBondContact O-N 3.21Å; L100-I103 PolarHBondContact O-N 3.33Å; I103-Q105 PolarHBondContact O-N 3.29Å; I103-N106 PolarHBondContact O-N 2.86Å; I103-N106 VanDerWaalsContact O-N 3.14Å; I103-L109 HydrophobicContact CD1-CD1 3.64Å; I103-A127 HydrophobicContact CG2-CB 4.28Å; I103-V128 HydrophobicContact CD1-CG2 3.86Å; I103-V128 HydrophobicContact CG1-CG2 4.09Å; I103-V128 HydrophobicContact CG2-CG2 4.06Å
104G93.6Very high94.1Very high39 Ų3943.7 Ų43.740%0.40222%0.219SC..Hα-helixtrans-64.1-26.1-176.600000114.3L100L100-G104 PolarHBondContact O-N 3.22Å
105Q93.8Very high94.4Very high74 Ų7445 Ų4535%0.34623%0.228SC..Hα-helixtrans-87.8-19177.2-69.9-174.870.700113.7K77 P101 V102 I103K77-Q105 PolarHBondContact O-NE2 3.35Å; K77-Q105 PolarHBondContact O-OE1 3.4Å; P101-Q105 VanDerWaalsContact O-CG 3.3Å; P101-Q105 WeakPolarHBondContact O-CG 3.29Å; P101-Q105 PolarHBondContact O-N 3.42Å; P101-Q105 PolarHBondContact O-NE2 3.48Å; V102-Q105 PolarHBondContact O-N 3.46Å; I103-Q105 PolarHBondContact O-N 3.29Å
106N93.8Very high94.4Very high0 Ų044.5 Ų44.50%023%0.23CC..  trans-114.374.1-172.5-70.3-76.3000111.7N79 K80 V81 L82 V102 I103 H108 L109N79-N106 PolarHBondContact O-ND2 2.8Å; N79-N106 PolarHBondContact O-OD1 2.9Å; N79-N106 PolarHBondContact OD1-OD1 3.5Å; N79-N106 VanDerWaalsContact OD1-OD1 3.11Å; K80-N106 WeakPolarHBondContact CA-OD1 3.06Å; V81-N106 PolarHBondContact N-OD1 2.93Å; V81-N106 VanDerWaalsContact N-OD1 3.12Å; L82-N106 HydrophobicContact CB-CB 4.05Å; L82-N106 VanDerWaalsContact CB-OD1 3.24Å; L82-N106 WeakPolarHBondContact CB-OD1 3.43Å; L82-N106 PolarHBondContact N-OD1 3.45Å; V102-N106 WeakPolarHBondContact O-CB 3.17Å; V102-N106 PolarHBondContact O-N 3.45Å; V102-N106 PolarHBondContact O-ND2 3.11Å; I103-N106 PolarHBondContact O-N 2.86Å; I103-N106 VanDerWaalsContact O-N 3.14Å; N106-H108 PolarHBondContact O-N 2.76Å; N106-L109 HydrophobicContact CB-CD1 3.94Å; N106-L109 HydrophobicContact CB-CG 3.91Å; N106-L109 WeakPolarHBondContact O-CG 3.36Å; N106-L109 PolarHBondContact O-N 3Å
107Q93.5Very high94.4Very high122 Ų12243.5 Ų43.557%0.5723%0.225SC*.THydrogen-bonded Turntrans-70.2-10.9179.3-611771100113.4S131Q107-S131 WeakPolarHBondContact CA-O 3.33Å
108H92.2Very high94.3Very high109 Ų10939 Ų3951%0.50522%0.22SC..THydrogen-bonded Turntrans-95.113.7179.5-57.4-59.1000113.5L82 N106 H110L82-H108 CarbonylContact O-C 3.57Å; N106-H108 PolarHBondContact O-N 2.76Å; H108-H110 PolarHBondContact O-CE1 2.77Å; H108-H110 PolarHBondContact O-N 3.4Å; H108-H110 PolarHBondContact O-ND1 3.31Å
109L95.8Very high94.5Very high0 Ų040.8 Ų40.80%023%0.234CC..  trans-64.4123.2175-77.1167.7000110.9L82 L85 I103 N106 V112 C132L82-L109 HydrophobicContact CB-CD2 4.12Å; L82-L109 HydrophobicContact CD2-CD2 4.07Å; L82-L109 HydrophobicContact CG-CD2 3.9Å; L82-L109 PolarHBondContact O-N 3.4Å; L85-L109 HydrophobicContact CB-CD2 3.95Å; I103-L109 HydrophobicContact CD1-CD1 3.64Å; N106-L109 HydrophobicContact CB-CD1 3.94Å; N106-L109 HydrophobicContact CB-CG 3.91Å; N106-L109 WeakPolarHBondContact O-CG 3.36Å; N106-L109 PolarHBondContact O-N 3Å; L109-V112 HydrophobicContact CB-CG2 4.08Å; L109-V112 HydrophobicContact CD1-CG2 3.99Å; L109-V112 HydrophobicContact CD2-CG2 4.3Å; L109-V112 HydrophobicContact CG-CG2 4.35Å; L109-C132 HydrophobicContact CB-CB 4.12Å
110H96.3Very high94.7Very high56 Ų5641 Ų4126%0.25924%0.235SC..  trans-105.6-28.8175.3-6582.3000111.5Q83 H108 Q136 H137Q83-H110 PolarHBondContact O-N 3.37Å; H108-H110 PolarHBondContact O-CE1 2.77Å; H108-H110 PolarHBondContact O-N 3.4Å; H108-H110 PolarHBondContact O-ND1 3.31Å; H110-Q136 PolarHBondContact O-N 2.93Å; H110-H137 PolarHBondContact O-N 3.05Å
111R97.9Very high94.8Very high110 Ų11040.7 Ų40.742%0.41524%0.236SC..EExtended strand (participates in β ladder)trans-130.8126177.4-177.5172.8-177.994.76.3110.7Q83 N84 L85 H137Q83-R111 PolarHBondContact O-N 3.3Å; N84-R111 CarbonylContact C-O 3.57Å; N84-R111 WeakPolarHBondContact CA-O 3.28Å; N84-R111 HydrophobicContact CB-CB 4.3Å; N84-R111 VanDerWaalsContact OD1-CB 3.26Å; N84-R111 WeakPolarHBondContact OD1-CB 3.44Å; L85-R111 PolarHBondContact N-O 2.79Å; R111-H137 VanDerWaalsContact CA-O 3.29Å; R111-H137 WeakPolarHBondContact CA-O 3.34Å; R111-H137 HydrophobicContact CB-CB 3.99Å; R111-H137 HydrophobicContact CG-CB 3.77Å
112V97.1Very high94.9Very high1 Ų142.8 Ų42.81%0.00624%0.235CC..EExtended strand (participates in β ladder)trans-130.4128.9173.2176.80000108.4L85 L109 M114 L135 H137 L138 G139L85-V112 CarbonylContact O-C 3.45Å; L85-V112 WeakPolarHBondContact O-CA 3.47Å; L109-V112 HydrophobicContact CB-CG2 4.08Å; L109-V112 HydrophobicContact CD1-CG2 3.99Å; L109-V112 HydrophobicContact CD2-CG2 4.3Å; L109-V112 HydrophobicContact CG-CG2 4.35Å; V112-M114 HydrophobicContact CG1-CE 4.03Å; V112-M114 HydrophobicContact CG1-CG 3.8Å; V112-M114 HydrophobicContact CG1-SD 4.18Å; V112-L135 HydrophobicContact CB-CD1 4.17Å; V112-L135 HydrophobicContact CG2-CD1 3.76Å; V112-H137 PolarHBondContact N-O 2.83Å; V112-L138 HydrophobicContact CB-CD1 4.12Å; V112-L138 HydrophobicContact CG1-CD1 4.29Å; V112-L138 CarbonylContact O-C 3.59Å; V112-L138 VanDerWaalsContact O-CA 3.28Å; V112-L138 WeakPolarHBondContact O-CA 3.46Å; V112-G139 PolarHBondContact O-N 2.91Å
113D96.3Very high95.1Very high26 Ų2647.8 Ų47.814%0.13926%0.258CS..EExtended strand (participates in β ladder)trans-121.2112.8173.8-165.9-12000109.5L85 L87 S115L85-D113 PolarHBondContact O-N 3.04Å; L87-D113 PolarHBondContact N-O 3.36Å; D113-S115 WeakPolarHBondContact OD1-CB 3.49Å; D113-S115 PolarHBondContact OD1-N 2.88Å; D113-S115 PolarHBondContact OD1-OG 3.36Å
114M95.6Very high95.2Very high0 Ų047.7 Ų47.70%026%0.257CS..  trans-11516.1178-62.2-179.2-75.100111.2L87 L99 V112 G116 C117 L120 V128 L138 G139 L140 C143 W145L87-M114 HydrophobicContact CD1-CB 4.48Å; L87-M114 HydrophobicContact CD1-CG 3.89Å; L99-M114 HydrophobicContact CD2-CG 4.44Å; L99-M114 HydrophobicContact CD2-SD 3.7Å; V112-M114 HydrophobicContact CG1-CE 4.03Å; V112-M114 HydrophobicContact CG1-CG 3.8Å; V112-M114 HydrophobicContact CG1-SD 4.18Å; M114-G116 PolarHBondContact O-N 3Å; M114-C117 WeakPolarHBondContact O-CB 3.42Å; M114-C117 PolarHBondContact O-N 2.86Å; M114-C117 VanDerWaalsContact O-N 3.13Å; M114-C117 PolarHBondContact O-SG 2.76Å; M114-L120 HydrophobicContact CB-CD1 4.08Å; M114-L120 HydrophobicContact CG-CD1 4.17Å; M114-L120 HydrophobicContact SD-CD1 3.92Å; M114-V128 HydrophobicContact CE-CG2 4.06Å; M114-V128 HydrophobicContact SD-CG2 4.47Å; M114-L138 HydrophobicContact CE-CD1 3.87Å; M114-G139 PolarHBondContact N-O 2.84Å; M114-L140 HydrophobicContact CB-CD2 4.43Å; M114-L140 HydrophobicContact CE-CD2 3.7Å; M114-C143 PolarHBondContact O-SG 3.06Å; M114-W145 HydrophobicContact CB-CZ2 4.33Å; M114-W145 HydrophobicContact CE-CH2 4.1Å; M114-W145 HydrophobicContact SD-CH2 4.24Å
115S95.8Very high95.4Very high26 Ų2645.9 Ų45.918%0.18224%0.238CC..THydrogen-bonded Turntrans-55.6136.5-177-55.20000111.4D113 C117 G139 A141D113-S115 WeakPolarHBondContact OD1-CB 3.49Å; D113-S115 PolarHBondContact OD1-N 2.88Å; D113-S115 PolarHBondContact OD1-OG 3.36Å; S115-C117 PolarHBondContact O-N 3.32Å; S115-G139 PolarHBondContact N-O 3.29Å; S115-A141 CarbonylContact C-O 3.56Å; S115-A141 VanDerWaalsContact CA-O 3.24Å; S115-A141 WeakPolarHBondContact CA-O 3.39Å; S115-A141 PolarHBondContact OG-N 3.31Å
116G94.1Very high95.6Very high27 Ų2744.5 Ų44.528%0.27824%0.235SC..THydrogen-bonded Turntrans73.1-2179.700000115.4S91 M114 A118 A141S91-G116 WeakPolarHBondContact CB-O 3.38Å; M114-G116 PolarHBondContact O-N 3Å; G116-A118 PolarHBondContact O-N 2.77Å; G116-A141 PolarHBondContact N-O 3.28Å
117C93.8Very high95.7Very high0 Ų045.4 Ų45.40%024%0.243CC..  trans-71.788.8-177-63.20000111.6S91 V94 M114 S115 S119 L120 W145S91-C117 WeakPolarHBondContact O-CA 3.5Å; V94-C117 HydrophobicContact CG1-CB 4.18Å; M114-C117 WeakPolarHBondContact O-CB 3.42Å; M114-C117 PolarHBondContact O-N 2.86Å; M114-C117 VanDerWaalsContact O-N 3.13Å; M114-C117 PolarHBondContact O-SG 2.76Å; S115-C117 PolarHBondContact O-N 3.32Å; C117-S119 VanDerWaalsContact C-N 3.31Å; C117-S119 PolarHBondContact O-N 2.89Å; C117-L120 HydrophobicContact CB-CB 4.49Å; C117-L120 HydrophobicContact CB-CD1 3.46Å; C117-L120 VanDerWaalsContact CB-CD1 3.46Å; C117-L120 HydrophobicContact CB-CG 3.75Å; C117-W145 PolarHBondContact O-NE1 3.41Å
118A92.3Very high95.9Very high78 Ų7839.6 Ų39.665%0.64522%0.215SC*.THydrogen-bonded Turntrans-72.5-22.5-172.600000114.1S91 G116S91-A118 PolarHBondContact O-N 3.25Å; G116-A118 PolarHBondContact O-N 2.77Å
119S94Very high96.2Very high53 Ų5334.4 Ų34.437%0.37119%0.191SC..THydrogen-bonded Turntrans-93.32.7-175.4-63.40000114.2D92 V94 C117D92-S119 PolarHBondContact O-OG 2.98Å; V94-S119 CarbonylContact O-C 3.52Å; V94-S119 WeakPolarHBondContact O-CB 3.46Å; C117-S119 VanDerWaalsContact C-N 3.31Å; C117-S119 PolarHBondContact O-N 2.89Å
120L96.4Very high96.2Very high5 Ų539.1 Ų39.13%0.02622%0.216CC..  trans-83.9162.7171.8-63.3-179.5000111.3L87 V94 L99 M114 C117 W145L87-L120 HydrophobicContact CD1-CD1 4.37Å; V94-L120 HydrophobicContact CG1-CD2 4.26Å; V94-L120 HydrophobicContact CG1-CG 4.38Å; L99-L120 HydrophobicContact CB-CD2 4.33Å; L99-L120 HydrophobicContact CD2-CD1 3.77Å; L99-L120 HydrophobicContact CD2-CD2 3.83Å; L99-L120 HydrophobicContact CD2-CG 4.48Å; M114-L120 HydrophobicContact CB-CD1 4.08Å; M114-L120 HydrophobicContact CG-CD1 4.17Å; M114-L120 HydrophobicContact SD-CD1 3.92Å; C117-L120 HydrophobicContact CB-CB 4.49Å; C117-L120 HydrophobicContact CB-CD1 3.46Å; C117-L120 VanDerWaalsContact CB-CD1 3.46Å; C117-L120 HydrophobicContact CB-CG 3.75Å; L120-W145 HydrophobicContact CB-CD2 4.18Å; L120-W145 HydrophobicContact CB-CH2 4.47Å; L120-W145 HydrophobicContact CB-CZ2 3.85Å; L120-W145 HydrophobicContact CD1-CH2 4.4Å; L120-W145 HydrophobicContact CD1-CZ2 3.84Å; L120-W145 HydrophobicContact CG-CZ2 4.49Å; L120-W145 WeakPolarHBondContact O-CB 3.4Å; L120-W145 VanDerWaalsContact O-CD1 3.29Å; L120-W145 VanDerWaalsContact O-CG 3.26Å
121T96.9Very high96.2Very high54 Ų5438 Ų3833%0.33122%0.215SC..  trans-123.8172172.886.70000111.6D96 H123 S124 W145D96-T121 PolarHBondContact OD1-N 2.93Å; D96-T121 WeakPolarHBondContact OD2-CB 3.25Å; D96-T121 PolarHBondContact OD2-OG1 2.96Å; T121-H123 PolarHBondContact O-N 3.14Å; T121-H123 PolarHBondContact OG1-N 3Å; T121-H123 PolarHBondContact OG1-ND1 2.88Å; T121-S124 WeakPolarHBondContact O-CB 3.28Å; T121-S124 PolarHBondContact O-N 2.88Å; T121-W145 VanDerWaalsContact C-CE3 3.46Å
122R95.8Very high96.1Very high112 Ų11232.8 Ų32.842%0.42320%0.195SC..Hα-helixtrans-51.5-25.2173.874.3178.5-172.3-178.20.8114S124 L125 V126 D147R122-S124 PolarHBondContact O-N 3.39Å; R122-L125 PolarHBondContact O-N 2.81Å; R122-V126 WeakPolarHBondContact O-CG2 3.28Å; R122-V126 PolarHBondContact O-N 2.61Å; R122-D147 VanDerWaalsContact CD-OD2 3.28Å; R122-D147 WeakPolarHBondContact CD-OD2 3.33Å; R122-D147 IonicContact NH1-OD2 3.28Å; R122-D147 PolarHBondContact NH1-OD2 3.48Å
123H96.8Very high96Very high110 Ų11035.8 Ų35.851%0.50921%0.213SC..Hα-helixtrans-62.2-31.5176.3-59.594.7000112T121 V126 A127T121-H123 PolarHBondContact O-N 3.14Å; T121-H123 PolarHBondContact OG1-N 3Å; T121-H123 PolarHBondContact OG1-ND1 2.88Å; H123-V126 PolarHBondContact O-N 3.44Å; H123-A127 WeakPolarHBondContact O-CB 3.33Å; H123-A127 PolarHBondContact O-N 3.01Å
124S97.2Very high96Very high0 Ų040.1 Ų40.10%023%0.233CC..Hα-helixtrans-64-45.1174.5-77.60000111.9D96 T121 R122 A127 V128D96-S124 VanDerWaalsContact CG-OG 3.29Å; D96-S124 PolarHBondContact OD1-OG 3.06Å; T121-S124 WeakPolarHBondContact O-CB 3.28Å; T121-S124 PolarHBondContact O-N 2.88Å; R122-S124 PolarHBondContact O-N 3.39Å; S124-A127 PolarHBondContact O-N 2.88Å; S124-V128 WeakPolarHBondContact O-CG2 3.5Å; S124-V128 PolarHBondContact O-N 2.83Å
125L97.7Very high96.1Very high0 Ų040.1 Ų40.10%023%0.233CC..Hα-helixtrans-68.4-36.7176.3179.559.5000112.4R122 A127 V128 S129 L138 L140 W145 V146 L154R122-L125 PolarHBondContact O-N 2.81Å; L125-A127 VanDerWaalsContact C-N 3.34Å; L125-V128 PolarHBondContact O-N 2.77Å; L125-S129 PolarHBondContact O-N 3.41Å; L125-L138 HydrophobicContact CD1-CD2 3.8Å; L125-L140 HydrophobicContact CD1-CD1 4.25Å; L125-L140 HydrophobicContact CD2-CD1 4.13Å; L125-W145 HydrophobicContact CB-CH2 4.37Å; L125-W145 HydrophobicContact CB-CZ3 3.74Å; L125-V146 HydrophobicContact CD2-CG1 3.9Å; L125-V146 HydrophobicContact CD2-CG2 4.31Å; L125-L154 HydrophobicContact CD1-CB 4.32Å; L125-L154 HydrophobicContact CD1-CD1 3.97Å; L125-L154 HydrophobicContact CD1-CD2 4.3Å; L125-L154 HydrophobicContact CD1-CG 4.42Å
126V97.7Very high96.2Very high46 Ų4641.9 Ų41.928%0.27924%0.238SC..Hα-helixtrans-65.7-37.1173.6174.20000111.5R122 H123 S129 L130R122-V126 WeakPolarHBondContact O-CG2 3.28Å; R122-V126 PolarHBondContact O-N 2.61Å; H123-V126 PolarHBondContact O-N 3.44Å; V126-S129 WeakPolarHBondContact CA-OG 3.43Å; V126-S129 PolarHBondContact O-N 2.83Å; V126-S129 PolarHBondContact O-OG 2.98Å; V126-L130 HydrophobicContact CG1-CD1 3.9Å; V126-L130 HydrophobicContact CG1-CG 4.38Å; V126-L130 VanDerWaalsContact O-CG 3.3Å; V126-L130 WeakPolarHBondContact O-CG 3.42Å; V126-L130 PolarHBondContact O-N 3.11Å; V126-L130 VanDerWaalsContact O-N 3.08Å
127A97.3Very high96.4Very high19 Ų1943.3 Ų43.316%0.15724%0.237CC..Hα-helixtrans-67.5-40.1175.600000111.9L100 I103 H123 S124 L125 S131L100-A127 HydrophobicContact CD2-CB 3.14Å; I103-A127 HydrophobicContact CG2-CB 4.28Å; H123-A127 WeakPolarHBondContact O-CB 3.33Å; H123-A127 PolarHBondContact O-N 3.01Å; S124-A127 PolarHBondContact O-N 2.88Å; L125-A127 VanDerWaalsContact C-N 3.34Å; A127-S131 WeakPolarHBondContact O-CB 3.48Å; A127-S131 PolarHBondContact O-N 3.47Å; A127-S131 PolarHBondContact O-OG 3.45Å
128V97.6Very high96.6Very high0 Ų043.5 Ų43.50%024%0.238CC..Hα-helixtrans-61.2-45.4173.2170.20000110.6I103 M114 S124 L125 L130 S131 C132 L135I103-V128 HydrophobicContact CD1-CG2 3.86Å; I103-V128 HydrophobicContact CG1-CG2 4.09Å; I103-V128 HydrophobicContact CG2-CG2 4.06Å; M114-V128 HydrophobicContact CE-CG2 4.06Å; M114-V128 HydrophobicContact SD-CG2 4.47Å; S124-V128 WeakPolarHBondContact O-CG2 3.5Å; S124-V128 PolarHBondContact O-N 2.83Å; L125-V128 PolarHBondContact O-N 2.77Å; V128-L130 PolarHBondContact O-N 3.19Å; V128-S131 PolarHBondContact O-N 3.12Å; V128-C132 HydrophobicContact CG1-CB 4.43Å; V128-C132 WeakPolarHBondContact O-CA 3.43Å; V128-C132 VanDerWaalsContact O-CB 3.29Å; V128-C132 WeakPolarHBondContact O-CB 3.41Å; V128-C132 PolarHBondContact O-N 3.47Å; V128-L135 HydrophobicContact CG1-CD2 3.75Å
129S97.1Very high96.9Very high0 Ų040.2 Ų40.20%021%0.212CC..Hα-helixtrans-61.7-43.9-179.867.80000112.5L125 V126 S153 H157L125-S129 PolarHBondContact O-N 3.41Å; V126-S129 WeakPolarHBondContact CA-OG 3.43Å; V126-S129 PolarHBondContact O-N 2.83Å; V126-S129 PolarHBondContact O-OG 2.98Å; S129-S153 PolarHBondContact OG-OG 3.15Å; S129-H157 WeakPolarHBondContact O-CB 3.38Å
130L96.9Very high97.1Very high99 Ų9937.7 Ų37.752%0.51819%0.194SC..Hα-helixtrans-77-32.3-177.6-64.3176.1000113.3V126 V128 H157V126-L130 HydrophobicContact CG1-CD1 3.9Å; V126-L130 HydrophobicContact CG1-CG 4.38Å; V126-L130 VanDerWaalsContact O-CG 3.3Å; V126-L130 WeakPolarHBondContact O-CG 3.42Å; V126-L130 PolarHBondContact O-N 3.11Å; V126-L130 VanDerWaalsContact O-N 3.08Å; V128-L130 PolarHBondContact O-N 3.19Å; L130-H157 WeakPolarHBondContact CD2-NE2 3.43Å
131S96.4Very high97.2Very high33 Ų3338 Ų3823%0.23120%0.197CC..Hα-helixtrans-92.6-33.3-174.4-48.60000112.9Q107 A127 V128Q107-S131 WeakPolarHBondContact CA-O 3.33Å; A127-S131 WeakPolarHBondContact O-CB 3.48Å; A127-S131 PolarHBondContact O-N 3.47Å; A127-S131 PolarHBondContact O-OG 3.45Å; V128-S131 PolarHBondContact O-N 3.12Å
132C95.8Very high97.2Very high0 Ų040.9 Ų40.90%021%0.207CC..  trans-115.362.9-169-49.20000110.7L109 V128 H134 L135 C158L109-C132 HydrophobicContact CB-CB 4.12Å; V128-C132 HydrophobicContact CG1-CB 4.43Å; V128-C132 WeakPolarHBondContact O-CA 3.43Å; V128-C132 VanDerWaalsContact O-CB 3.29Å; V128-C132 WeakPolarHBondContact O-CB 3.41Å; V128-C132 PolarHBondContact O-N 3.47Å; C132-H134 PolarHBondContact O-N 3.45Å; C132-H134 VanDerWaalsContact O-N 3.13Å; C132-L135 VanDerWaalsContact O-CB 3.25Å; C132-L135 WeakPolarHBondContact O-CB 3.19Å; C132-L135 PolarHBondContact O-N 3.21Å; C132-L135 VanDerWaalsContact O-N 3.11Å; C132-C158 PolarHBondContact O-SG 3.03Å
133T95.6Very high97.2Very high63 Ų6335.6 Ų35.639%0.38719%0.187SC..THydrogen-bonded Turntrans-66.4-16.1-174.8560000114.4
134H95.3Very high97.1Very high118 Ų11833.7 Ų33.755%0.54618%0.18SC..THydrogen-bonded Turntrans-95.213.6176.9-62.480.8000113.3C132 Q136C132-H134 PolarHBondContact O-N 3.45Å; C132-H134 VanDerWaalsContact O-N 3.13Å; H134-Q136 PolarHBondContact O-N 3.29Å
135L97.8Very high97Very high0 Ų035 Ų350%019%0.185CC..  trans-60.2130.8-179-166.675.1000111.5V112 V128 C132 L138 L154 C158 L161V112-L135 HydrophobicContact CB-CD1 4.17Å; V112-L135 HydrophobicContact CG2-CD1 3.76Å; V128-L135 HydrophobicContact CG1-CD2 3.75Å; C132-L135 VanDerWaalsContact O-CB 3.25Å; C132-L135 WeakPolarHBondContact O-CB 3.19Å; C132-L135 PolarHBondContact O-N 3.21Å; C132-L135 VanDerWaalsContact O-N 3.11Å; L135-L138 HydrophobicContact CD2-CB 3.97Å; L135-L138 HydrophobicContact CD2-CD1 4.24Å; L135-L138 HydrophobicContact CD2-CD2 4.12Å; L135-L138 HydrophobicContact CD2-CG 4.33Å; L135-L154 HydrophobicContact CD2-CD1 4.15Å; L135-C158 HydrophobicContact CB-CB 4.48Å; L135-L161 HydrophobicContact CD2-CD1 4.18Å; L135-L161 HydrophobicContact CG-CD1 4.21Å
136Q98.3Very high97Very high62 Ų6235 Ų3529%0.2919%0.185SC..  trans-114.5-29.9179.8-63.6-173.87.900112.5H110 H134 R162 S163H110-Q136 PolarHBondContact O-N 2.93Å; H134-Q136 PolarHBondContact O-N 3.29Å; Q136-R162 HydrophobicContact CB-CG 4.24Å; Q136-R162 WeakPolarHBondContact O-CA 3.24Å; Q136-R162 PolarHBondContact O-N 3.11Å; Q136-S163 PolarHBondContact O-N 3.39Å
137H98.5Very high96.9Very high57 Ų5733.8 Ų33.826%0.26418%0.177SC..EExtended strand (participates in β ladder)trans-132.3124.6-175.2-60.1-79.7000110.7H110 R111 V112 S163H110-H137 PolarHBondContact O-N 3.05Å; R111-H137 VanDerWaalsContact CA-O 3.29Å; R111-H137 WeakPolarHBondContact CA-O 3.34Å; R111-H137 HydrophobicContact CB-CB 3.99Å; R111-H137 HydrophobicContact CG-CB 3.77Å; V112-H137 PolarHBondContact N-O 2.83Å; H137-S163 WeakPolarHBondContact CA-O 3.44Å; H137-S163 WeakPolarHBondContact ND1-CB 3.45Å
138L98.4Very high96.8Very high5 Ų534.5 Ų34.53%0.02618%0.181CC..EExtended strand (participates in β ladder)trans-133.9119.5-179.2-177.958.6000111.8V112 M114 L125 L135 L140 L154 L161 S163 I164 D165V112-L138 HydrophobicContact CB-CD1 4.12Å; V112-L138 HydrophobicContact CG1-CD1 4.29Å; V112-L138 CarbonylContact O-C 3.59Å; V112-L138 VanDerWaalsContact O-CA 3.28Å; V112-L138 WeakPolarHBondContact O-CA 3.46Å; M114-L138 HydrophobicContact CE-CD1 3.87Å; L125-L138 HydrophobicContact CD1-CD2 3.8Å; L135-L138 HydrophobicContact CD2-CB 3.97Å; L135-L138 HydrophobicContact CD2-CD1 4.24Å; L135-L138 HydrophobicContact CD2-CD2 4.12Å; L135-L138 HydrophobicContact CD2-CG 4.33Å; L138-L140 HydrophobicContact CD1-CD2 4.23Å; L138-L140 HydrophobicContact CD1-CG 4.21Å; L138-L140 HydrophobicContact CD2-CD1 3.69Å; L138-L140 HydrophobicContact CD2-CG 4.13Å; L138-L140 HydrophobicContact CG-CD1 3.98Å; L138-L140 HydrophobicContact CG-CD2 4.41Å; L138-L140 HydrophobicContact CG-CG 3.87Å; L138-L154 HydrophobicContact CD2-CD1 3.82Å; L138-L154 HydrophobicContact CD2-CD2 3.4Å; L138-L154 HydrophobicContact CD2-CG 4.26Å; L138-L161 HydrophobicContact CB-CD1 4.21Å; L138-S163 PolarHBondContact N-O 3.41Å; L138-I164 HydrophobicContact CB-CG1 4.28Å; L138-I164 HydrophobicContact CD2-CD1 4.33Å; L138-I164 VanDerWaalsContact O-CA 3.31Å; L138-I164 WeakPolarHBondContact O-CA 3.33Å; L138-D165 PolarHBondContact O-N 2.91Å
139G98.2Very high96.7Very high9 Ų940 Ų409%0.09321%0.21CC..EExtended strand (participates in β ladder)trans-98.2120.317200000111.3V112 M114 S115V112-G139 PolarHBondContact O-N 2.91Å; M114-G139 PolarHBondContact N-O 2.84Å; S115-G139 PolarHBondContact N-O 3.29Å
140L97.9Very high96.7Very high0 Ų040.1 Ų40.10%021%0.21CC..  trans-132.119.2177.5-63.2168.4000111.7M114 L125 L138 H142 C143 W145 V146 D165 L166 C169M114-L140 HydrophobicContact CB-CD2 4.43Å; M114-L140 HydrophobicContact CE-CD2 3.7Å; L125-L140 HydrophobicContact CD1-CD1 4.25Å; L125-L140 HydrophobicContact CD2-CD1 4.13Å; L138-L140 HydrophobicContact CD1-CD2 4.23Å; L138-L140 HydrophobicContact CD1-CG 4.21Å; L138-L140 HydrophobicContact CD2-CD1 3.69Å; L138-L140 HydrophobicContact CD2-CG 4.13Å; L138-L140 HydrophobicContact CG-CD1 3.98Å; L138-L140 HydrophobicContact CG-CD2 4.41Å; L138-L140 HydrophobicContact CG-CG 3.87Å; L140-H142 PolarHBondContact O-N 3.46Å; L140-C143 HydrophobicContact CB-CB 4.39Å; L140-C143 WeakPolarHBondContact O-CB 3.48Å; L140-C143 PolarHBondContact O-N 3.09Å; L140-C143 VanDerWaalsContact O-N 3.11Å; L140-C143 PolarHBondContact O-SG 3.48Å; L140-C143 VanDerWaalsContact O-SG 3.35Å; L140-W145 HydrophobicContact CD2-CH2 3.78Å; L140-W145 HydrophobicContact CD2-CZ2 4.26Å; L140-V146 HydrophobicContact CB-CG2 4.28Å; L140-V146 HydrophobicContact CD1-CG1 4.34Å; L140-V146 HydrophobicContact CD1-CG2 4.12Å; L140-V146 HydrophobicContact CD2-CG2 4Å; L140-V146 HydrophobicContact CG-CG2 4.36Å; L140-D165 CarbonylContact C-O 3.19Å; L140-D165 WeakPolarHBondContact CA-O 3.09Å; L140-D165 WeakPolarHBondContact CB-O 3.48Å; L140-D165 PolarHBondContact N-O 3Å; L140-L166 HydrophobicContact CB-CD2 4.26Å; L140-L166 HydrophobicContact CD1-CD2 3.75Å; L140-C169 PolarHBondContact O-SG 3.42Å
141A97.9Very high96.8Very high10 Ų1035.4 Ų35.48%0.08319%0.186CC..THydrogen-bonded Turntrans-58.1135.8-178.200000110.2S115 G116 C143 D165 T167S115-A141 CarbonylContact C-O 3.56Å; S115-A141 VanDerWaalsContact CA-O 3.24Å; S115-A141 WeakPolarHBondContact CA-O 3.39Å; S115-A141 PolarHBondContact OG-N 3.31Å; G116-A141 PolarHBondContact N-O 3.28Å; A141-C143 PolarHBondContact O-N 2.85Å; A141-D165 PolarHBondContact N-O 2.96Å; A141-T167 CarbonylContact C-O 3.6Å; A141-T167 WeakPolarHBondContact CA-O 3.31Å
142H96.9Very high96.9Very high116 Ų11638.2 Ų38.254%0.53719%0.191SC..THydrogen-bonded Turntrans60.923.4-178.7-52.4-78.8000114.9L140 D144 T167L140-H142 PolarHBondContact O-N 3.46Å; H142-D144 PolarHBondContact O-N 3.17Å; H142-T167 PolarHBondContact N-O 3.47Å
143C96.5Very high96.9Very high0 Ų039.3 Ų39.30%020%0.199CC..  trans-92.288.8173.4-63.90000111M114 L140 A141 W145 V146M114-C143 PolarHBondContact O-SG 3.06Å; L140-C143 HydrophobicContact CB-CB 4.39Å; L140-C143 WeakPolarHBondContact O-CB 3.48Å; L140-C143 PolarHBondContact O-N 3.09Å; L140-C143 VanDerWaalsContact O-N 3.11Å; L140-C143 PolarHBondContact O-SG 3.48Å; L140-C143 VanDerWaalsContact O-SG 3.35Å; A141-C143 PolarHBondContact O-N 2.85Å; C143-W145 HydrophobicContact CB-CD2 4.19Å; C143-W145 HydrophobicContact CB-CZ2 3.77Å; C143-W145 PolarHBondContact O-N 2.99Å; C143-W145 VanDerWaalsContact O-N 3.14Å; C143-V146 HydrophobicContact CB-CG2 3.64Å; C143-V146 PolarHBondContact O-N 3.38Å
144D94.3Very high97.1Very high71 Ų7136.3 Ų36.338%0.3818%0.18SC..THydrogen-bonded Turntrans-62.8-17.8178.2-81.4-40.8000112.8H142 V146 R170 Q171H142-D144 PolarHBondContact O-N 3.17Å; D144-V146 VanDerWaalsContact C-N 3.33Å; D144-R170 IonicContact OD1-CZ 3.93Å; D144-R170 IonicContact OD1-NH1 3.18Å; D144-R170 PolarHBondContact OD1-NH1 3.35Å; D144-R170 IonicContact OD2-NH1 3Å; D144-R170 PolarHBondContact OD2-NH1 3.13Å; D144-Q171 PolarHBondContact O-NE2 3.25Å
145W95.6Very high97.2Very high27 Ų2730.8 Ų30.810%0.10216%0.155CC..THydrogen-bonded Turntrans-81.6-4.7178.953.2-99000114.5M114 C117 L120 T121 L125 L140 C143 D147M114-W145 HydrophobicContact CB-CZ2 4.33Å; M114-W145 HydrophobicContact CE-CH2 4.1Å; M114-W145 HydrophobicContact SD-CH2 4.24Å; C117-W145 PolarHBondContact O-NE1 3.41Å; L120-W145 HydrophobicContact CB-CD2 4.18Å; L120-W145 HydrophobicContact CB-CH2 4.47Å; L120-W145 HydrophobicContact CB-CZ2 3.85Å; L120-W145 HydrophobicContact CD1-CH2 4.4Å; L120-W145 HydrophobicContact CD1-CZ2 3.84Å; L120-W145 HydrophobicContact CG-CZ2 4.49Å; L120-W145 WeakPolarHBondContact O-CB 3.4Å; L120-W145 VanDerWaalsContact O-CD1 3.29Å; L120-W145 VanDerWaalsContact O-CG 3.26Å; T121-W145 VanDerWaalsContact C-CE3 3.46Å; L125-W145 HydrophobicContact CB-CH2 4.37Å; L125-W145 HydrophobicContact CB-CZ3 3.74Å; L140-W145 HydrophobicContact CD2-CH2 3.78Å; L140-W145 HydrophobicContact CD2-CZ2 4.26Å; C143-W145 HydrophobicContact CB-CD2 4.19Å; C143-W145 HydrophobicContact CB-CZ2 3.77Å; C143-W145 PolarHBondContact O-N 2.99Å; C143-W145 VanDerWaalsContact O-N 3.14Å; W145-D147 PolarHBondContact O-N 2.98Å
146V97.1Very high97.2Very high0 Ų034.5 Ų34.50%018%0.175CC..  trans-80.3111.4176177.40000109.3L125 L140 C143 D144 L172L125-V146 HydrophobicContact CD2-CG1 3.9Å; L125-V146 HydrophobicContact CD2-CG2 4.31Å; L140-V146 HydrophobicContact CB-CG2 4.28Å; L140-V146 HydrophobicContact CD1-CG1 4.34Å; L140-V146 HydrophobicContact CD1-CG2 4.12Å; L140-V146 HydrophobicContact CD2-CG2 4Å; L140-V146 HydrophobicContact CG-CG2 4.36Å; C143-V146 HydrophobicContact CB-CG2 3.64Å; C143-V146 PolarHBondContact O-N 3.38Å; D144-V146 VanDerWaalsContact C-N 3.33Å; V146-L172 HydrophobicContact CG1-CD2 4.31Å
147D95.6Very high97.2Very high21 Ų2135.3 Ų35.311%0.11218%0.179CC..  trans-105.8170.2179.271.47.1000112.2R122 W145 L149 S150 L151R122-D147 VanDerWaalsContact CD-OD2 3.28Å; R122-D147 WeakPolarHBondContact CD-OD2 3.33Å; R122-D147 IonicContact NH1-OD2 3.28Å; R122-D147 PolarHBondContact NH1-OD2 3.48Å; W145-D147 PolarHBondContact O-N 2.98Å; D147-L149 PolarHBondContact O-N 3.08Å; D147-L149 PolarHBondContact OD1-N 2.81Å; D147-S150 PolarHBondContact N-OG 2.91Å; D147-S150 PolarHBondContact O-N 2.86Å; D147-S150 PolarHBondContact O-OG 3.31Å; D147-S150 VanDerWaalsContact O-OG 3.06Å; D147-S150 VanDerWaalsContact OD1-CB 3.29Å; D147-S150 WeakPolarHBondContact OD1-CB 3.1Å; D147-S150 PolarHBondContact OD1-N 3.4Å; D147-S150 PolarHBondContact OD1-OG 2.84Å; D147-L151 PolarHBondContact O-N 2.9Å; D147-L151 VanDerWaalsContact O-N 3.13Å
148C95.6Very high97.1Very high33 Ų3332.6 Ų32.622%0.22317%0.166CC..Hα-helixtrans-60.8-29.9-179.8-67.10000113.1R152 A176C148-R152 WeakPolarHBondContact O-CG 3.3Å; C148-R152 PolarHBondContact O-N 3.01Å; C148-A176 HydrophobicContact CB-CB 3.84Å
149L95.9Very high97Very high117 Ų11734 Ų3461%0.61318%0.182SC*.Hα-helixtrans-75.2-45.6-177.5-66.9174.2000111.5D147 R152 S153D147-L149 PolarHBondContact O-N 3.08Å; D147-L149 PolarHBondContact OD1-N 2.81Å; L149-R152 PolarHBondContact O-N 3.36Å; L149-S153 PolarHBondContact O-N 3.23Å
150S97.1Very high97Very high2 Ų234.9 Ų34.91%0.01419%0.191CC..Hα-helixtrans-66.4-36.7177.153.10000112D147 S153 L154D147-S150 PolarHBondContact N-OG 2.91Å; D147-S150 PolarHBondContact O-N 2.86Å; D147-S150 PolarHBondContact O-OG 3.31Å; D147-S150 VanDerWaalsContact O-OG 3.06Å; D147-S150 VanDerWaalsContact OD1-CB 3.29Å; D147-S150 WeakPolarHBondContact OD1-CB 3.1Å; D147-S150 PolarHBondContact OD1-N 3.4Å; D147-S150 PolarHBondContact OD1-OG 2.84Å; S150-S153 WeakPolarHBondContact O-CB 3.48Å; S150-S153 PolarHBondContact O-N 3Å; S150-L154 PolarHBondContact O-N 3.43Å
151L98.1Very high97Very high0 Ų034.9 Ų34.90%019%0.191CC..Hα-helixtrans-66.1-36.8173-169.664.5000112.6D147 L154 A155 I164 L166 L172 A176 I177 L180D147-L151 PolarHBondContact O-N 2.9Å; D147-L151 VanDerWaalsContact O-N 3.13Å; L151-L154 HydrophobicContact CD1-CD2 4.02Å; L151-L154 WeakPolarHBondContact O-CB 3.29Å; L151-L154 PolarHBondContact O-N 2.93Å; L151-A155 PolarHBondContact O-N 2.86Å; L151-I164 HydrophobicContact CD1-CD1 3.91Å; L151-L166 HydrophobicContact CD1-CD1 4.31Å; L151-L166 HydrophobicContact CD1-CD2 4.15Å; L151-L166 HydrophobicContact CD2-CD1 4.01Å; L151-L172 HydrophobicContact CB-CD2 4.34Å; L151-L172 HydrophobicContact CD2-CD1 4.11Å; L151-L172 HydrophobicContact CD2-CD2 3.81Å; L151-A176 HydrophobicContact CD2-CB 4.1Å; L151-I177 HydrophobicContact CD2-CD1 3.81Å; L151-L180 HydrophobicContact CD1-CD1 4.33Å; L151-L180 HydrophobicContact CD1-CD2 4.33Å; L151-L180 HydrophobicContact CD2-CD2 4.48Å
152R97.6Very high97Very high91 Ų9137.9 Ų37.934%0.34320%0.2SC..Hα-helixtrans-65.5-42.6172.9-75.2173.7178-134.7-0.1112C148 L149 L154 A155 D156 D175 Y179C148-R152 WeakPolarHBondContact O-CG 3.3Å; C148-R152 PolarHBondContact O-N 3.01Å; L149-R152 PolarHBondContact O-N 3.36Å; R152-L154 VanDerWaalsContact C-N 3.3Å; R152-L154 PolarHBondContact O-N 3.16Å; R152-A155 WeakPolarHBondContact O-CB 3.31Å; R152-A155 PolarHBondContact O-N 3.06Å; R152-A155 VanDerWaalsContact O-N 3.13Å; R152-D156 PolarHBondContact O-N 2.98Å; R152-D175 PolarHBondContact NH2-O 2.72Å; R152-Y179 HydrophobicContact CB-CD1 4.05Å; R152-Y179 HydrophobicContact CB-CE1 4.15Å; R152-Y179 HydrophobicContact CG-CD1 3.68Å; R152-Y179 HydrophobicContact CG-CE1 4.2Å; R152-Y179 HydrophobicContact CG-CG 3.92Å
153S97.8Very high97.1Very high23 Ų2333.7 Ų33.716%0.16118%0.184CC..Hα-helixtrans-58.5-42.3174.1177.30000111.8S129 L149 S150 D156 H157S129-S153 PolarHBondContact OG-OG 3.15Å; L149-S153 PolarHBondContact O-N 3.23Å; S150-S153 WeakPolarHBondContact O-CB 3.48Å; S150-S153 PolarHBondContact O-N 3Å; S153-D156 PolarHBondContact O-N 3.07Å; S153-H157 PolarHBondContact O-N 3.42Å; S153-H157 PolarHBondContact O-ND1 3.05Å
154L98.3Very high97.2Very high0 Ų033.7 Ų33.70%018%0.184CC..Hα-helixtrans-57.6-51.2171.9-178.377.8000111.4L125 L135 L138 S150 L151 R152 D156 H157 C158 L161 I164L125-L154 HydrophobicContact CD1-CB 4.32Å; L125-L154 HydrophobicContact CD1-CD1 3.97Å; L125-L154 HydrophobicContact CD1-CD2 4.3Å; L125-L154 HydrophobicContact CD1-CG 4.42Å; L135-L154 HydrophobicContact CD2-CD1 4.15Å; L138-L154 HydrophobicContact CD2-CD1 3.82Å; L138-L154 HydrophobicContact CD2-CD2 3.4Å; L138-L154 HydrophobicContact CD2-CG 4.26Å; S150-L154 PolarHBondContact O-N 3.43Å; L151-L154 HydrophobicContact CD1-CD2 4.02Å; L151-L154 WeakPolarHBondContact O-CB 3.29Å; L151-L154 PolarHBondContact O-N 2.93Å; R152-L154 VanDerWaalsContact C-N 3.3Å; R152-L154 PolarHBondContact O-N 3.16Å; L154-D156 VanDerWaalsContact C-N 3.26Å; L154-D156 PolarHBondContact O-N 2.61Å; L154-H157 PolarHBondContact O-N 3.1Å; L154-C158 HydrophobicContact CD1-CB 4.09Å; L154-C158 HydrophobicContact CG-CB 4.38Å; L154-C158 WeakPolarHBondContact O-CB 3.43Å; L154-C158 PolarHBondContact O-N 3.27Å; L154-L161 HydrophobicContact CD2-CD2 4.16Å; L154-I164 HydrophobicContact CD2-CD1 3.81Å
155A97.9Very high97.5Very high2 Ų233 Ų332%0.01718%0.18CC..Hα-helixtrans-59.7-34.8-179.400000113L151 R152 H157 Y179 L180 K183L151-A155 PolarHBondContact O-N 2.86Å; R152-A155 WeakPolarHBondContact O-CB 3.31Å; R152-A155 PolarHBondContact O-N 3.06Å; R152-A155 VanDerWaalsContact O-N 3.13Å; A155-H157 VanDerWaalsContact C-N 3.34Å; A155-H157 PolarHBondContact O-N 3.04Å; A155-Y179 HydrophobicContact CB-CD1 3.81Å; A155-Y179 HydrophobicContact CB-CE1 4.02Å; A155-L180 HydrophobicContact CB-CD1 3.94Å; A155-K183 HydrophobicContact CB-CB 3.97Å; A155-K183 HydrophobicContact CB-CG 4.16Å; A155-K183 WeakPolarHBondContact O-CB 3.21Å
156D98.2Very high97.6Very high79 Ų7931.7 Ų31.742%0.42218%0.175SC..Hα-helixtrans-69.1-28.5179.5-75.2-29.6000113.9R152 S153 L154 Y179 K183R152-D156 PolarHBondContact O-N 2.98Å; S153-D156 PolarHBondContact O-N 3.07Å; L154-D156 VanDerWaalsContact C-N 3.26Å; L154-D156 PolarHBondContact O-N 2.61Å; D156-Y179 VanDerWaalsContact OD1-CE1 3.31Å; D156-Y179 WeakPolarHBondContact OD1-CE1 3.37Å; D156-Y179 PolarHBondContact OD1-OH 3.37Å; D156-K183 IonicContact OD1-NZ 3.61Å
157H97.9Very high97.7Very high78 Ų7832.6 Ų32.636%0.36118%0.181SC..Hα-helixtrans-113.2-22.6-172-59.786.2000113.8S129 L130 S153 L154 A155S129-H157 WeakPolarHBondContact O-CB 3.38Å; L130-H157 WeakPolarHBondContact CD2-NE2 3.43Å; S153-H157 PolarHBondContact O-N 3.42Å; S153-H157 PolarHBondContact O-ND1 3.05Å; L154-H157 PolarHBondContact O-N 3.1Å; A155-H157 VanDerWaalsContact C-N 3.34Å; A155-H157 PolarHBondContact O-N 3.04Å
158C97.1Very high97.8Very high0 Ų031.8 Ų31.80%018%0.177CC..  trans-113.758.1-175.9-57.70000111.5C132 L135 L154 G160 L161 C184C132-C158 PolarHBondContact O-SG 3.03Å; L135-C158 HydrophobicContact CB-CB 4.48Å; L154-C158 HydrophobicContact CD1-CB 4.09Å; L154-C158 HydrophobicContact CG-CB 4.38Å; L154-C158 WeakPolarHBondContact O-CB 3.43Å; L154-C158 PolarHBondContact O-N 3.27Å; C158-G160 PolarHBondContact O-N 3.05Å; C158-L161 WeakPolarHBondContact O-CB 3.28Å; C158-L161 PolarHBondContact O-N 3.38Å; C158-C184 PolarHBondContact O-SG 3.34Å
159G96.3Very high97.9Very high36 Ų3630.2 Ų30.237%0.37117%0.167SC..THydrogen-bonded Turntrans-63.7-22.3-179.600000114.7L161G159-L161 PolarHBondContact O-N 2.98Å
160G97Very high97.8Very high27 Ų2732 Ų3228%0.27817%0.165SC..THydrogen-bonded Turntrans-82.112.1177.900000115.2C158 R162C158-G160 PolarHBondContact O-N 3.05Å; G160-R162 PolarHBondContact O-N 3.34Å
161L98.4Very high97.7Very high0 Ų036.9 Ų36.90%019%0.188CC..  trans-64.4126.2-177.3-160.170.1000111.1L135 L138 L154 C158 G159 I164 L180 C184 E186 L187L135-L161 HydrophobicContact CD2-CD1 4.18Å; L135-L161 HydrophobicContact CG-CD1 4.21Å; L138-L161 HydrophobicContact CB-CD1 4.21Å; L154-L161 HydrophobicContact CD2-CD2 4.16Å; C158-L161 WeakPolarHBondContact O-CB 3.28Å; C158-L161 PolarHBondContact O-N 3.38Å; G159-L161 PolarHBondContact O-N 2.98Å; L161-I164 HydrophobicContact CD2-CB 3.85Å; L161-I164 HydrophobicContact CD2-CD1 3.9Å; L161-I164 HydrophobicContact CD2-CG1 4.25Å; L161-I164 HydrophobicContact CD2-CG2 4.38Å; L161-L180 HydrophobicContact CD2-CD1 4.47Å; L161-C184 HydrophobicContact CB-CB 4.29Å; L161-E186 CarbonylContact O-C 3.54Å; L161-L187 HydrophobicContact CB-CD2 4.45Å; L161-L187 HydrophobicContact CD2-CD2 4.35Å; L161-L187 HydrophobicContact CG-CD2 4.28Å; L161-L187 PolarHBondContact O-N 3.34Å
162R98.7Very high97.6Very high72 Ų7236.9 Ų36.927%0.27219%0.188SC..  trans-105.5-30.7-179.1-60-169.7178.4-65.1-7.2112.8Q136 G160 E186 K188 S189Q136-R162 HydrophobicContact CB-CG 4.24Å; Q136-R162 WeakPolarHBondContact O-CA 3.24Å; Q136-R162 PolarHBondContact O-N 3.11Å; G160-R162 PolarHBondContact O-N 3.34Å; R162-E186 IonicContact CZ-OE2 3.99Å; R162-E186 IonicContact NH1-OE2 3.67Å; R162-E186 PolarHBondContact NH1-OE2 3.24Å; R162-E186 IonicContact NH2-OE2 3.62Å; R162-E186 PolarHBondContact NH2-OE2 3.04Å; R162-K188 WeakPolarHBondContact O-CA 3.36Å; R162-K188 WeakPolarHBondContact O-CB 3.48Å; R162-K188 PolarHBondContact O-N 3.45Å; R162-S189 PolarHBondContact O-N 2.86Å
163S98.8Very high97.6Very high28 Ų2838.2 Ų38.220%0.19620%0.196CC..EExtended strand (participates in β ladder)trans-141.8129.6-176.6-170.50000110.2Q136 H137 L138 S189Q136-S163 PolarHBondContact O-N 3.39Å; H137-S163 WeakPolarHBondContact CA-O 3.44Å; H137-S163 WeakPolarHBondContact ND1-CB 3.45Å; L138-S163 PolarHBondContact N-O 3.41Å; S163-S189 VanDerWaalsContact CA-O 3.28Å; S163-S189 WeakPolarHBondContact CA-O 3.24Å
164I98.8Very high97.6Very high1 Ų138 Ų381%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-139.6131.3171.7-165.6176.7000110.8L138 L151 L154 L161 L166 L180 L187 S189 L190 S191L138-I164 HydrophobicContact CB-CG1 4.28Å; L138-I164 HydrophobicContact CD2-CD1 4.33Å; L138-I164 VanDerWaalsContact O-CA 3.31Å; L138-I164 WeakPolarHBondContact O-CA 3.33Å; L151-I164 HydrophobicContact CD1-CD1 3.91Å; L154-I164 HydrophobicContact CD2-CD1 3.81Å; L161-I164 HydrophobicContact CD2-CB 3.85Å; L161-I164 HydrophobicContact CD2-CD1 3.9Å; L161-I164 HydrophobicContact CD2-CG1 4.25Å; L161-I164 HydrophobicContact CD2-CG2 4.38Å; I164-L166 HydrophobicContact CD1-CD1 4.08Å; I164-L166 HydrophobicContact CD1-CD2 3.72Å; I164-L166 HydrophobicContact CD1-CG 3.94Å; I164-L166 HydrophobicContact CG1-CD2 3.98Å; I164-L166 HydrophobicContact CG1-CG 3.97Å; I164-L180 HydrophobicContact CD1-CD2 4.14Å; I164-L180 HydrophobicContact CG2-CD2 4.15Å; I164-L187 HydrophobicContact CG2-CD2 4.03Å; I164-S189 PolarHBondContact N-O 3.13Å; I164-L190 HydrophobicContact CG2-CD1 3.39Å; I164-L190 WeakPolarHBondContact O-CA 3.16Å; I164-S191 PolarHBondContact O-N 2.92Å
165D98.8Very high97.6Very high55 Ų5542.6 Ų42.629%0.29422%0.218SC..EExtended strand (participates in β ladder)trans-107.4109.8173.8-170-15000109.4L138 L140 A141 T167 S191L138-D165 PolarHBondContact O-N 2.91Å; L140-D165 CarbonylContact C-O 3.19Å; L140-D165 WeakPolarHBondContact CA-O 3.09Å; L140-D165 WeakPolarHBondContact CB-O 3.48Å; L140-D165 PolarHBondContact N-O 3Å; A141-D165 PolarHBondContact N-O 2.96Å; D165-T167 WeakPolarHBondContact OD1-CB 3.22Å; D165-T167 PolarHBondContact OD1-N 2.88Å; D165-T167 PolarHBondContact OD1-OG1 2.56Å; D165-S191 WeakPolarHBondContact OD1-CB 3.35Å
166L98.6Very high97.6Very high0 Ų042.5 Ų42.50%022%0.217CC..  trans-110.924.6178-59.7172.6000111.4L140 L151 I164 A168 C169 L172 I177 L180 L190 S191 L192 N195L140-L166 HydrophobicContact CB-CD2 4.26Å; L140-L166 HydrophobicContact CD1-CD2 3.75Å; L151-L166 HydrophobicContact CD1-CD1 4.31Å; L151-L166 HydrophobicContact CD1-CD2 4.15Å; L151-L166 HydrophobicContact CD2-CD1 4.01Å; I164-L166 HydrophobicContact CD1-CD1 4.08Å; I164-L166 HydrophobicContact CD1-CD2 3.72Å; I164-L166 HydrophobicContact CD1-CG 3.94Å; I164-L166 HydrophobicContact CG1-CD2 3.98Å; I164-L166 HydrophobicContact CG1-CG 3.97Å; L166-A168 PolarHBondContact O-N 2.94Å; L166-C169 WeakPolarHBondContact O-CB 3.48Å; L166-C169 PolarHBondContact O-N 2.92Å; L166-L172 HydrophobicContact CB-CD1 4.04Å; L166-L172 HydrophobicContact CD1-CD1 3.94Å; L166-L172 HydrophobicContact CD2-CD1 4.08Å; L166-L172 HydrophobicContact CG-CD1 4.24Å; L166-I177 HydrophobicContact CD1-CD1 3.65Å; L166-L180 HydrophobicContact CD1-CD2 4.21Å; L166-L190 HydrophobicContact CD1-CD1 4.37Å; L166-S191 WeakPolarHBondContact CA-O 3.5Å; L166-S191 WeakPolarHBondContact CB-O 3.3Å; L166-S191 PolarHBondContact N-O 2.66Å; L166-L192 HydrophobicContact CB-CD2 4.29Å; L166-L192 HydrophobicContact CD1-CD2 4.03Å; L166-N195 PolarHBondContact O-ND2 3.42Å
167T98.7Very high97.6Very high20 Ų2038.8 Ų38.812%0.12320%0.197CC..THydrogen-bonded Turntrans-55129.4179.9-59.20000110.6A141 H142 D165 C169 S191 A193 V194A141-T167 CarbonylContact C-O 3.6Å; A141-T167 WeakPolarHBondContact CA-O 3.31Å; H142-T167 PolarHBondContact N-O 3.47Å; D165-T167 WeakPolarHBondContact OD1-CB 3.22Å; D165-T167 PolarHBondContact OD1-N 2.88Å; D165-T167 PolarHBondContact OD1-OG1 2.56Å; T167-C169 PolarHBondContact O-N 2.89Å; T167-C169 VanDerWaalsContact O-N 3.17Å; T167-S191 PolarHBondContact OG1-OG 3.19Å; T167-A193 CarbonylContact C-O 3.46Å; T167-A193 WeakPolarHBondContact CA-O 3.42Å; T167-A193 HydrophobicContact CG2-CB 3.94Å; T167-V194 HydrophobicContact CG2-CG2 4.42Å
168A98.1Very high97.6Very high4 Ų435.4 Ų35.43%0.03318%0.182CC..THydrogen-bonded Turntrans55.828177.800000115.3L166 R170 A193 V194L166-A168 PolarHBondContact O-N 2.94Å; A168-R170 VanDerWaalsContact C-N 3.35Å; A168-R170 PolarHBondContact O-N 3.14Å; A168-R170 VanDerWaalsContact O-N 3.12Å; A168-A193 PolarHBondContact N-O 2.9Å; A168-V194 HydrophobicContact CB-CB 4.23Å; A168-V194 HydrophobicContact CB-CG1 4.49Å
169C97.5Very high97.7Very high0 Ų038.4 Ų38.40%019%0.194CC..  trans-80.876.5168.3-69.60000111L140 L166 T167 Q171 L172 N195L140-C169 PolarHBondContact O-SG 3.42Å; L166-C169 WeakPolarHBondContact O-CB 3.48Å; L166-C169 PolarHBondContact O-N 2.92Å; T167-C169 PolarHBondContact O-N 2.89Å; T167-C169 VanDerWaalsContact O-N 3.17Å; C169-Q171 PolarHBondContact O-N 3.32Å; C169-L172 HydrophobicContact CB-CD1 3.5Å; C169-L172 VanDerWaalsContact CB-CD1 3.5Å; C169-L172 HydrophobicContact CB-CG 3.88Å; C169-L172 WeakPolarHBondContact O-CB 3.37Å; C169-L172 WeakPolarHBondContact O-CG 3.3Å; C169-L172 PolarHBondContact O-N 3.13Å; C169-N195 PolarHBondContact N-OD1 2.88Å; C169-N195 PolarHBondContact O-OD1 3.13Å
170R94Very high97.8Very high155 Ų15536.7 Ų36.759%0.58518%0.176SC*.THydrogen-bonded Turntrans-61.3-19.4-164.5-59.6-177.8-174.6121.9-7.9116.2D144 A168 L172 N197D144-R170 IonicContact OD1-CZ 3.93Å; D144-R170 IonicContact OD1-NH1 3.18Å; D144-R170 PolarHBondContact OD1-NH1 3.35Å; D144-R170 IonicContact OD2-NH1 3Å; D144-R170 PolarHBondContact OD2-NH1 3.13Å; A168-R170 VanDerWaalsContact C-N 3.35Å; A168-R170 PolarHBondContact O-N 3.14Å; A168-R170 VanDerWaalsContact O-N 3.12Å; R170-L172 VanDerWaalsContact C-N 3.28Å; R170-N197 PolarHBondContact O-ND2 3.14Å
171Q94.5Very high97.9Very high103 Ų10335.4 Ų35.448%0.48116%0.163SC..THydrogen-bonded Turntrans-79-10.3178.4-56.8-163.837.200113.5D144 C169D144-Q171 PolarHBondContact O-NE2 3.25Å; C169-Q171 PolarHBondContact O-N 3.32Å
172L96.7Very high97.9Very high1 Ų140.9 Ų40.91%0.00519%0.187CC..  trans-76.9149.1-177.3-62.5-179.2000112.4V146 L151 L166 C169 R170 A176 I177 N197V146-L172 HydrophobicContact CG1-CD2 4.31Å; L151-L172 HydrophobicContact CB-CD2 4.34Å; L151-L172 HydrophobicContact CD2-CD1 4.11Å; L151-L172 HydrophobicContact CD2-CD2 3.81Å; L166-L172 HydrophobicContact CB-CD1 4.04Å; L166-L172 HydrophobicContact CD1-CD1 3.94Å; L166-L172 HydrophobicContact CD2-CD1 4.08Å; L166-L172 HydrophobicContact CG-CD1 4.24Å; C169-L172 HydrophobicContact CB-CD1 3.5Å; C169-L172 VanDerWaalsContact CB-CD1 3.5Å; C169-L172 HydrophobicContact CB-CG 3.88Å; C169-L172 WeakPolarHBondContact O-CB 3.37Å; C169-L172 WeakPolarHBondContact O-CG 3.3Å; C169-L172 PolarHBondContact O-N 3.13Å; R170-L172 VanDerWaalsContact C-N 3.28Å; L172-A176 HydrophobicContact CD2-CB 4.45Å; L172-I177 HydrophobicContact CD1-CD1 4.18Å; L172-N197 VanDerWaalsContact O-CB 3.31Å; L172-N197 WeakPolarHBondContact O-CB 3.26Å
173K96.6Very high97.9Very high119 Ų11942.3 Ų42.352%0.51720%0.195SC..  trans-137.1166.1177.3-63.5-175-180-179.10109.7D175 A176 I177 N197K173-D175 VanDerWaalsContact C-N 3.29Å; K173-D175 PolarHBondContact O-N 3.44Å; K173-A176 PolarHBondContact O-N 3.37Å; K173-I177 PolarHBondContact O-N 3.22Å; K173-N197 HydrophobicContact CG-CB 4.36Å
174D98.3Very high97.8Very high17 Ų1741 Ų419%0.09119%0.186CC..Hα-helixtrans-49.9-46.8-177.9-69.6-44.7000112.6A176 I177 C178 T199 E201 S202D174-A176 PolarHBondContact O-N 2.72Å; D174-I177 PolarHBondContact O-N 3.35Å; D174-C178 WeakPolarHBondContact O-CB 3.33Å; D174-C178 PolarHBondContact O-N 3.08Å; D174-C178 PolarHBondContact O-SG 3.28Å; D174-T199 PolarHBondContact OD1-N 3Å; D174-T199 WeakPolarHBondContact OD2-CB 3.36Å; D174-T199 VanDerWaalsContact OD2-CG2 3.3Å; D174-T199 WeakPolarHBondContact OD2-CG2 3.37Å; D174-T199 PolarHBondContact OD2-N 2.93Å; D174-T199 PolarHBondContact OD2-OG1 3.11Å; D174-E201 HydrophobicContact CB-CB 4.25Å; D174-E201 HydrophobicContact CB-CG 4.4Å; D174-S202 WeakPolarHBondContact OD1-CB 3.43Å; D174-S202 PolarHBondContact OD1-OG 3.18Å
175D98Very high97.8Very high98 Ų9843.6 Ų43.652%0.52421%0.207SC..Hα-helixtrans-49-37.5178.8-74.5-26.9000114.9R152 K173 Y179R152-D175 PolarHBondContact NH2-O 2.72Å; K173-D175 VanDerWaalsContact C-N 3.29Å; K173-D175 PolarHBondContact O-N 3.44Å; D175-Y179 WeakPolarHBondContact O-CB 3.35Å; D175-Y179 PolarHBondContact O-N 2.55Å
176A97.7Very high97.7Very high0 Ų045.4 Ų45.40%021%0.214CC..Hα-helixtrans-78.7-39.1-17900000111.5C148 L151 L172 K173 D174 Y179 L180C148-A176 HydrophobicContact CB-CB 3.84Å; L151-A176 HydrophobicContact CD2-CB 4.1Å; L172-A176 HydrophobicContact CD2-CB 4.45Å; K173-A176 PolarHBondContact O-N 3.37Å; D174-A176 PolarHBondContact O-N 2.72Å; A176-Y179 PolarHBondContact O-N 3.13Å; A176-L180 WeakPolarHBondContact O-CB 3.46Å; A176-L180 PolarHBondContact O-N 3.37Å
177I98.6Very high97.7Very high0 Ų045.4 Ų45.40%021%0.214CC..Hα-helixtrans-69.8-41176.7-54.6-50.2000110.7L151 L166 L172 K173 D174 Y179 L180 A181 L192 I198 V206L151-I177 HydrophobicContact CD2-CD1 3.81Å; L166-I177 HydrophobicContact CD1-CD1 3.65Å; L172-I177 HydrophobicContact CD1-CD1 4.18Å; K173-I177 PolarHBondContact O-N 3.22Å; D174-I177 PolarHBondContact O-N 3.35Å; I177-Y179 VanDerWaalsContact C-N 3.28Å; I177-Y179 PolarHBondContact O-N 2.98Å; I177-L180 WeakPolarHBondContact O-CB 3.35Å; I177-L180 PolarHBondContact O-N 2.7Å; I177-A181 WeakPolarHBondContact O-CB 3.19Å; I177-A181 PolarHBondContact O-N 3.5Å; I177-L192 HydrophobicContact CD1-CD2 3.67Å; I177-L192 HydrophobicContact CG1-CD2 4.03Å; I177-L192 HydrophobicContact CG2-CD1 4Å; I177-L192 HydrophobicContact CG2-CD2 4.26Å; I177-I198 HydrophobicContact CG1-CD1 3.59Å; I177-V206 HydrophobicContact CG2-CG2 3.89Å
178C98.7Very high97.7Very high7 Ų748 Ų485%0.04722%0.224CC..Hα-helixtrans-57.8-42.9172.9-68.90000111.3D174 A181 K182 S202 E205D174-C178 WeakPolarHBondContact O-CB 3.33Å; D174-C178 PolarHBondContact O-N 3.08Å; D174-C178 PolarHBondContact O-SG 3.28Å; C178-A181 PolarHBondContact O-N 3.31Å; C178-K182 WeakPolarHBondContact O-CG 3.33Å; C178-K182 PolarHBondContact O-N 3.47Å; C178-K182 VanDerWaalsContact O-N 3.15Å; C178-S202 VanDerWaalsContact SG-CA 3.58Å; C178-E205 HydrophobicContact CB-CB 4.23Å; C178-E205 HydrophobicContact CB-CG 3.89Å
179Y98.7Very high97.8Very high63 Ų6349.2 Ų49.225%0.24723%0.232CC..Hα-helixtrans-65.1-45.3176.8-166.4-90.7000111.9R152 A155 D156 D175 A176 I177 A181 K182 K183R152-Y179 HydrophobicContact CB-CD1 4.05Å; R152-Y179 HydrophobicContact CB-CE1 4.15Å; R152-Y179 HydrophobicContact CG-CD1 3.68Å; R152-Y179 HydrophobicContact CG-CE1 4.2Å; R152-Y179 HydrophobicContact CG-CG 3.92Å; A155-Y179 HydrophobicContact CB-CD1 3.81Å; A155-Y179 HydrophobicContact CB-CE1 4.02Å; D156-Y179 VanDerWaalsContact OD1-CE1 3.31Å; D156-Y179 WeakPolarHBondContact OD1-CE1 3.37Å; D156-Y179 PolarHBondContact OD1-OH 3.37Å; D175-Y179 WeakPolarHBondContact O-CB 3.35Å; D175-Y179 PolarHBondContact O-N 2.55Å; A176-Y179 PolarHBondContact O-N 3.13Å; I177-Y179 VanDerWaalsContact C-N 3.28Å; I177-Y179 PolarHBondContact O-N 2.98Å; Y179-A181 PolarHBondContact O-N 3.15Å; Y179-K182 PolarHBondContact O-N 3.48Å; Y179-K183 HydrophobicContact CD1-CG 4.2Å; Y179-K183 HydrophobicContact CE1-CG 3.87Å; Y179-K183 WeakPolarHBondContact O-CG 3.27Å; Y179-K183 PolarHBondContact O-N 2.98Å; Y179-K183 VanDerWaalsContact OH-CE 3.3Å; Y179-K183 WeakPolarHBondContact OH-CE 2.87Å
180L98.6Very high97.8Very high1 Ų149.3 Ų49.31%0.00523%0.232CC..Hα-helixtrans-56.8-48.4174.9-178.172.6000111.3L151 A155 L161 I164 L166 A176 I177 K182 K183 C184 L187L151-L180 HydrophobicContact CD1-CD1 4.33Å; L151-L180 HydrophobicContact CD1-CD2 4.33Å; L151-L180 HydrophobicContact CD2-CD2 4.48Å; A155-L180 HydrophobicContact CB-CD1 3.94Å; L161-L180 HydrophobicContact CD2-CD1 4.47Å; I164-L180 HydrophobicContact CD1-CD2 4.14Å; I164-L180 HydrophobicContact CG2-CD2 4.15Å; L166-L180 HydrophobicContact CD1-CD2 4.21Å; A176-L180 WeakPolarHBondContact O-CB 3.46Å; A176-L180 PolarHBondContact O-N 3.37Å; I177-L180 WeakPolarHBondContact O-CB 3.35Å; I177-L180 PolarHBondContact O-N 2.7Å; L180-K182 VanDerWaalsContact C-N 3.31Å; L180-K182 PolarHBondContact O-N 2.81Å; L180-K183 PolarHBondContact O-N 3.25Å; L180-C184 HydrophobicContact CD1-CB 4.48Å; L180-C184 WeakPolarHBondContact O-CB 3.31Å; L180-C184 PolarHBondContact O-N 3.33Å; L180-L187 HydrophobicContact CG-CD1 4.44Å
181A98.5Very high98.1Very high0 Ų042.4 Ų42.40%021%0.208CC..Hα-helixtrans-59-40.1179.600000112.9I177 C178 Y179 K183 E205 V206 N209I177-A181 WeakPolarHBondContact O-CB 3.19Å; I177-A181 PolarHBondContact O-N 3.5Å; C178-A181 PolarHBondContact O-N 3.31Å; Y179-A181 PolarHBondContact O-N 3.15Å; A181-K183 VanDerWaalsContact C-N 3.32Å; A181-K183 PolarHBondContact O-N 3.38Å; A181-E205 HydrophobicContact CB-CG 4.36Å; A181-V206 HydrophobicContact CB-CB 4.46Å; A181-V206 HydrophobicContact CB-CG2 3.89Å; A181-N209 HydrophobicContact CB-CB 4.48Å; A181-N209 VanDerWaalsContact O-CB 3.29Å; A181-N209 WeakPolarHBondContact O-CB 3.46Å
182K98.4Very high98.3Very high114 Ų11437.6 Ų37.650%0.49619%0.185SC..Hα-helixtrans-67.3-31.1178.7-74.4171.6-175.1167.60113.3C178 Y179 L180 E205C178-K182 WeakPolarHBondContact O-CG 3.33Å; C178-K182 PolarHBondContact O-N 3.47Å; C178-K182 VanDerWaalsContact O-N 3.15Å; Y179-K182 PolarHBondContact O-N 3.48Å; L180-K182 VanDerWaalsContact C-N 3.31Å; L180-K182 PolarHBondContact O-N 2.81Å; K182-E205 WeakPolarHBondContact CE-OE1 3.24Å; K182-E205 WeakPolarHBondContact CE-OE2 3.22Å; K182-E205 HydrophobicContact CG-CG 4.47Å; K182-E205 IonicContact NZ-OE1 3.44Å; K182-E205 IonicContact NZ-OE2 3.96Å; K182-E205 PolarHBondContact NZ-OE2 2.86Å
183K98.4Very high98.4Very high102 Ų10237.7 Ų37.744%0.44319%0.187SC..Hα-helixtrans-94-33.9-176.8-65.3-67.4-170.7169.30113.1A155 D156 Y179 L180 A181A155-K183 HydrophobicContact CB-CB 3.97Å; A155-K183 HydrophobicContact CB-CG 4.16Å; A155-K183 WeakPolarHBondContact O-CB 3.21Å; D156-K183 IonicContact OD1-NZ 3.61Å; Y179-K183 HydrophobicContact CD1-CG 4.2Å; Y179-K183 HydrophobicContact CE1-CG 3.87Å; Y179-K183 WeakPolarHBondContact O-CG 3.27Å; Y179-K183 PolarHBondContact O-N 2.98Å; Y179-K183 VanDerWaalsContact OH-CE 3.3Å; Y179-K183 WeakPolarHBondContact OH-CE 2.87Å; L180-K183 PolarHBondContact O-N 3.25Å; A181-K183 VanDerWaalsContact C-N 3.32Å; A181-K183 PolarHBondContact O-N 3.38Å
184C98Very high98.4Very high0 Ų036 Ų360%019%0.186CC..  trans-106.865.9-174.9-57.50000111C158 L161 L180 E186 L187C158-C184 PolarHBondContact O-SG 3.34Å; L161-C184 HydrophobicContact CB-CB 4.29Å; L180-C184 HydrophobicContact CD1-CB 4.48Å; L180-C184 WeakPolarHBondContact O-CB 3.31Å; L180-C184 PolarHBondContact O-N 3.33Å; C184-E186 PolarHBondContact O-N 3.17Å; C184-L187 HydrophobicContact CB-CD1 3.92Å; C184-L187 HydrophobicContact CB-CG 3.91Å; C184-L187 VanDerWaalsContact O-CG 3.31Å; C184-L187 WeakPolarHBondContact O-CG 3.34Å; C184-L187 PolarHBondContact O-N 2.96Å
185A97.6Very high98.4Very high56 Ų5635.3 Ų35.346%0.46318%0.182SC..THydrogen-bonded Turntrans-67.3-16.1-178.200000113.9L187A185-L187 VanDerWaalsContact C-N 3.27Å; A185-L187 PolarHBondContact O-N 3.28Å
186E98.1Very high98.2Very high93 Ų9333.3 Ų33.344%0.43518%0.18SC..THydrogen-bonded Turntrans-83.35177.3-69.2-159.2-145.800114.5L161 R162 C184 K188L161-E186 CarbonylContact O-C 3.54Å; R162-E186 IonicContact CZ-OE2 3.99Å; R162-E186 IonicContact NH1-OE2 3.67Å; R162-E186 PolarHBondContact NH1-OE2 3.24Å; R162-E186 IonicContact NH2-OE2 3.62Å; R162-E186 PolarHBondContact NH2-OE2 3.04Å; C184-E186 PolarHBondContact O-N 3.17Å; E186-K188 PolarHBondContact O-N 3.27Å
187L98.6Very high98.1Very high1 Ų136.1 Ų36.11%0.00519%0.194CC..  trans-58.7127.3177.6-80.6171.7000111.6L161 I164 L180 C184 A185 C210 G212 L213L161-L187 HydrophobicContact CB-CD2 4.45Å; L161-L187 HydrophobicContact CD2-CD2 4.35Å; L161-L187 HydrophobicContact CG-CD2 4.28Å; L161-L187 PolarHBondContact O-N 3.34Å; I164-L187 HydrophobicContact CG2-CD2 4.03Å; L180-L187 HydrophobicContact CG-CD1 4.44Å; C184-L187 HydrophobicContact CB-CD1 3.92Å; C184-L187 HydrophobicContact CB-CG 3.91Å; C184-L187 VanDerWaalsContact O-CG 3.31Å; C184-L187 WeakPolarHBondContact O-CG 3.34Å; C184-L187 PolarHBondContact O-N 2.96Å; A185-L187 VanDerWaalsContact C-N 3.27Å; A185-L187 PolarHBondContact O-N 3.28Å; L187-C210 HydrophobicContact CB-CB 4.2Å; L187-G212 CarbonylContact O-C 3.37Å; L187-L213 PolarHBondContact O-N 3.37Å
188K98.8Very high98.1Very high75 Ų7536.1 Ų36.133%0.32619%0.194SC..  trans-112.3-32.9176.3-69.2174.8165.1-115.90112R162 E186 E214 Q215R162-K188 WeakPolarHBondContact O-CA 3.36Å; R162-K188 WeakPolarHBondContact O-CB 3.48Å; R162-K188 PolarHBondContact O-N 3.45Å; E186-K188 PolarHBondContact O-N 3.27Å; K188-E214 HydrophobicContact CB-CG 4.49Å; K188-E214 IonicContact NZ-OE1 2.71Å; K188-E214 PolarHBondContact NZ-OE1 2.87Å; K188-E214 CarbonylContact O-C 3.46Å; K188-E214 WeakPolarHBondContact O-CA 3.41Å; K188-E214 WeakPolarHBondContact O-CB 3.46Å; K188-E214 PolarHBondContact O-N 3.28Å; K188-Q215 PolarHBondContact O-N 2.94Å
189S98.9Very high98.1Very high28 Ų2837.5 Ų37.520%0.19620%0.203CC..EExtended strand (participates in β ladder)trans-133.7127.9179.7-1780000110.6R162 S163 I164 Q215R162-S189 PolarHBondContact O-N 2.86Å; S163-S189 VanDerWaalsContact CA-O 3.28Å; S163-S189 WeakPolarHBondContact CA-O 3.24Å; I164-S189 PolarHBondContact N-O 3.13Å; S189-Q215 WeakPolarHBondContact CA-O 3Å
190L98.9Very high98.1Very high2 Ų235.6 Ų35.61%0.0120%0.197CC..EExtended strand (participates in β ladder)trans-136.3126.4177.3173.661.7000109.2I164 L166 L192 V206 L213 Q215 L216 D217I164-L190 HydrophobicContact CG2-CD1 3.39Å; I164-L190 WeakPolarHBondContact O-CA 3.16Å; L166-L190 HydrophobicContact CD1-CD1 4.37Å; L190-L192 HydrophobicContact CD1-CD2 3.91Å; L190-L192 HydrophobicContact CD1-CG 4.14Å; L190-L192 HydrophobicContact CD2-CD1 4.04Å; L190-L192 HydrophobicContact CD2-CD2 4.39Å; L190-L192 HydrophobicContact CD2-CG 4.06Å; L190-L192 HydrophobicContact CG-CD1 4.48Å; L190-L192 HydrophobicContact CG-CD2 4.28Å; L190-L192 HydrophobicContact CG-CG 3.97Å; L190-V206 HydrophobicContact CD2-CG1 3.97Å; L190-V206 HydrophobicContact CD2-CG2 3.73Å; L190-L213 HydrophobicContact CB-CD1 4.23Å; L190-Q215 PolarHBondContact N-O 2.71Å; L190-L216 HydrophobicContact CB-CD1 4.01Å; L190-L216 HydrophobicContact CD2-CD1 4.01Å; L190-L216 HydrophobicContact CG-CD1 4Å; L190-L216 WeakPolarHBondContact O-CA 3.39Å; L190-D217 PolarHBondContact O-N 2.87Å
191S98.8Very high98.1Very high11 Ų1140.6 Ų40.68%0.07722%0.22CC..EExtended strand (participates in β ladder)trans-108.4126.6163.8-176.70000110.3I164 D165 L166 T167 A193I164-S191 PolarHBondContact O-N 2.92Å; D165-S191 WeakPolarHBondContact OD1-CB 3.35Å; L166-S191 WeakPolarHBondContact CA-O 3.5Å; L166-S191 WeakPolarHBondContact CB-O 3.3Å; L166-S191 PolarHBondContact N-O 2.66Å; T167-S191 PolarHBondContact OG1-OG 3.19Å; S191-A193 PolarHBondContact OG-N 3.35Å
192L98.7Very high98.1Very high1 Ų140.6 Ų40.61%0.00522%0.22CC..  trans-115.913.1169.6-61.7176.3000111.3L166 I177 L190 N195 I198 D217 L218 C221L166-L192 HydrophobicContact CB-CD2 4.29Å; L166-L192 HydrophobicContact CD1-CD2 4.03Å; I177-L192 HydrophobicContact CD1-CD2 3.67Å; I177-L192 HydrophobicContact CG1-CD2 4.03Å; I177-L192 HydrophobicContact CG2-CD1 4Å; I177-L192 HydrophobicContact CG2-CD2 4.26Å; L190-L192 HydrophobicContact CD1-CD2 3.91Å; L190-L192 HydrophobicContact CD1-CG 4.14Å; L190-L192 HydrophobicContact CD2-CD1 4.04Å; L190-L192 HydrophobicContact CD2-CD2 4.39Å; L190-L192 HydrophobicContact CD2-CG 4.06Å; L190-L192 HydrophobicContact CG-CD1 4.48Å; L190-L192 HydrophobicContact CG-CD2 4.28Å; L190-L192 HydrophobicContact CG-CG 3.97Å; L192-N195 VanDerWaalsContact C-ND2 3.33Å; L192-N195 WeakPolarHBondContact O-CB 3.3Å; L192-N195 PolarHBondContact O-N 3.06Å; L192-N195 PolarHBondContact O-ND2 3.01Å; L192-I198 HydrophobicContact CD1-CG2 4Å; L192-D217 PolarHBondContact N-O 3.47Å; L192-L218 HydrophobicContact CB-CD2 4.18Å; L192-L218 HydrophobicContact CD1-CD2 4.12Å; L192-C221 PolarHBondContact O-SG 3.42Å
193A98.6Very high98.1Very high4 Ų435.2 Ų35.23%0.03320%0.197CC..THydrogen-bonded Turntrans-52.6144.7-173.300000112.8T167 A168 S191 N195 D217 T219T167-A193 CarbonylContact C-O 3.46Å; T167-A193 WeakPolarHBondContact CA-O 3.42Å; T167-A193 HydrophobicContact CG2-CB 3.94Å; A168-A193 PolarHBondContact N-O 2.9Å; S191-A193 PolarHBondContact OG-N 3.35Å; A193-N195 PolarHBondContact O-N 3.23Å; A193-N195 VanDerWaalsContact O-N 3.14Å; A193-N195 PolarHBondContact O-ND2 2.97Å; A193-D217 PolarHBondContact N-O 3.16Å; A193-T219 CarbonylContact C-O 3.43Å; A193-T219 VanDerWaalsContact CA-O 3.22Å; A193-T219 WeakPolarHBondContact CA-O 3.31Å; A193-T219 WeakPolarHBondContact CB-O 3.48Å
194V97.9Very high98.1Very high83 Ų8332.3 Ų32.350%0.50319%0.185SC..THydrogen-bonded Turntrans61.620.3175.8-159.10000113.5T167 A168 T219T167-V194 HydrophobicContact CG2-CG2 4.42Å; A168-V194 HydrophobicContact CB-CB 4.23Å; A168-V194 HydrophobicContact CB-CG1 4.49Å; V194-T219 PolarHBondContact N-O 3.37Å
195N97.5Very high98.2Very high2 Ų234.4 Ų34.41%0.01120%0.195CC..  trans-96.4101.3171.1-67-56.9000111.1L166 C169 L192 A193 N197 I198L166-N195 PolarHBondContact O-ND2 3.42Å; C169-N195 PolarHBondContact N-OD1 2.88Å; C169-N195 PolarHBondContact O-OD1 3.13Å; L192-N195 VanDerWaalsContact C-ND2 3.33Å; L192-N195 WeakPolarHBondContact O-CB 3.3Å; L192-N195 PolarHBondContact O-N 3.06Å; L192-N195 PolarHBondContact O-ND2 3.01Å; A193-N195 PolarHBondContact O-N 3.23Å; A193-N195 VanDerWaalsContact O-N 3.14Å; A193-N195 PolarHBondContact O-ND2 2.97Å; N195-N197 PolarHBondContact O-N 2.56Å; N195-I198 HydrophobicContact CB-CB 4.35Å; N195-I198 HydrophobicContact CB-CG1 3.54Å; N195-I198 PolarHBondContact O-N 3.02Å
196A94.6Very high98.2Very high57 Ų5731.9 Ų31.947%0.47117%0.174SC..THydrogen-bonded Turntrans-68.3-15.9-175.600000114.9R223A196-R223 WeakPolarHBondContact O-CD 3.48Å; A196-R223 PolarHBondContact O-NE 3.4Å
197N95.8Very high98.2Very high58 Ų5827.4 Ų27.431%0.3115%0.153SC..THydrogen-bonded Turntrans-92.4-4.7-179.1-66.2-39.9000113.6R170 L172 K173 N195R170-N197 PolarHBondContact O-ND2 3.14Å; L172-N197 VanDerWaalsContact O-CB 3.31Å; L172-N197 WeakPolarHBondContact O-CB 3.26Å; K173-N197 HydrophobicContact CG-CB 4.36Å; N195-N197 PolarHBondContact O-N 2.56Å
198I97.9Very high98.2Very high0 Ų031.4 Ų31.40%017%0.17CC..  trans-84.3130.5-179.7-64.9-54.5000109.8I177 L192 N195 S202 V203 R223I177-I198 HydrophobicContact CG1-CD1 3.59Å; L192-I198 HydrophobicContact CD1-CG2 4Å; N195-I198 HydrophobicContact CB-CB 4.35Å; N195-I198 HydrophobicContact CB-CG1 3.54Å; N195-I198 PolarHBondContact O-N 3.02Å; I198-S202 WeakPolarHBondContact CG2-OG 3.42Å; I198-V203 HydrophobicContact CG2-CG2 4.41Å; I198-R223 WeakPolarHBondContact O-CB 3.49Å
199T98.6Very high98.2Very high36 Ų3630.4 Ų30.422%0.22117%0.168CC..BIsolated β-bridgetrans-123.7-175.7-178.377.80000111.6D174 E201 S202 R223D174-T199 PolarHBondContact OD1-N 3Å; D174-T199 WeakPolarHBondContact OD2-CB 3.36Å; D174-T199 VanDerWaalsContact OD2-CG2 3.3Å; D174-T199 WeakPolarHBondContact OD2-CG2 3.37Å; D174-T199 PolarHBondContact OD2-N 2.93Å; D174-T199 PolarHBondContact OD2-OG1 3.11Å; T199-E201 PolarHBondContact O-N 3.46Å; T199-E201 PolarHBondContact OG1-N 3.31Å; T199-S202 PolarHBondContact O-OG 2.94Å; T199-R223 HydrophobicContact CG2-CB 3.91Å
200D98.6Very high98.2Very high24 Ų2429.1 Ų29.113%0.12816%0.159CC..Hα-helixtrans-55.6-29.4174.5-72.5-20.7000112.9S202 V203 E204 R225 S228D200-S202 PolarHBondContact O-N 2.89Å; D200-V203 PolarHBondContact O-N 2.59Å; D200-E204 WeakPolarHBondContact O-CB 3.5Å; D200-E204 VanDerWaalsContact O-CG 3.29Å; D200-E204 WeakPolarHBondContact O-CG 3.45Å; D200-E204 PolarHBondContact O-N 2.85Å; D200-R225 PolarHBondContact OD1-N 3.18Å; D200-R225 WeakPolarHBondContact OD2-CB 3.49Å; D200-S228 VanDerWaalsContact OD1-CB 3.24Å; D200-S228 WeakPolarHBondContact OD1-CB 3.41Å; D200-S228 PolarHBondContact OD1-OG 2.79Å
201E98.8Very high98.1Very high106 Ų10636.3 Ų36.350%0.49519%0.186SC..Hα-helixtrans-56.1-54.2-177.1-177-179.5169.300112.4D174 T199 E204 E205D174-E201 HydrophobicContact CB-CB 4.25Å; D174-E201 HydrophobicContact CB-CG 4.4Å; T199-E201 PolarHBondContact O-N 3.46Å; T199-E201 PolarHBondContact OG1-N 3.31Å; E201-E204 PolarHBondContact O-N 2.81Å; E201-E205 PolarHBondContact O-N 3.4Å; E201-E205 VanDerWaalsContact O-N 3.08Å
202S98.5Very high98.1Very high0 Ų036.8 Ų36.80%019%0.193CC..Hα-helixtrans-72-34.8-178.756.30000113D174 C178 I198 T199 D200 E204 E205 V206D174-S202 WeakPolarHBondContact OD1-CB 3.43Å; D174-S202 PolarHBondContact OD1-OG 3.18Å; C178-S202 VanDerWaalsContact SG-CA 3.58Å; I198-S202 WeakPolarHBondContact CG2-OG 3.42Å; T199-S202 PolarHBondContact O-OG 2.94Å; D200-S202 PolarHBondContact O-N 2.89Å; S202-E204 VanDerWaalsContact C-N 3.33Å; S202-E204 PolarHBondContact O-N 3.37Å; S202-E205 PolarHBondContact O-N 2.74Å; S202-V206 WeakPolarHBondContact O-CB 3.4Å; S202-V206 VanDerWaalsContact O-CG2 3.25Å; S202-V206 WeakPolarHBondContact O-CG2 3.39Å; S202-V206 PolarHBondContact O-N 2.81Å
203V98.8Very high98.1Very high1 Ų136.8 Ų36.81%0.00619%0.193CC..Hα-helixtrans-64.9-40.3177-179.10000110.6I198 D200 A207 L216 L218 V224 L232I198-V203 HydrophobicContact CG2-CG2 4.41Å; D200-V203 PolarHBondContact O-N 2.59Å; V203-A207 WeakPolarHBondContact O-CB 3.4Å; V203-A207 PolarHBondContact O-N 3.31Å; V203-L216 HydrophobicContact CG1-CD2 4.37Å; V203-L218 HydrophobicContact CG1-CD1 4.02Å; V203-L218 HydrophobicContact CG2-CD1 4.05Å; V203-L218 HydrophobicContact CG2-CD2 3.88Å; V203-V224 HydrophobicContact CG2-CG2 4.02Å; V203-L232 HydrophobicContact CG1-CD1 3.63Å; V203-L232 HydrophobicContact CG1-CD2 4.34Å; V203-L232 HydrophobicContact CG1-CG 3.98Å
204E98.8Very high98.1Very high41 Ų4138.6 Ų38.619%0.19220%0.201CC..Hα-helixtrans-65.3-41.8173.8-75.6-169.5-156.300112.7D200 E201 S202 A207 K208 Q227 T231D200-E204 WeakPolarHBondContact O-CB 3.5Å; D200-E204 VanDerWaalsContact O-CG 3.29Å; D200-E204 WeakPolarHBondContact O-CG 3.45Å; D200-E204 PolarHBondContact O-N 2.85Å; E201-E204 PolarHBondContact O-N 2.81Å; S202-E204 VanDerWaalsContact C-N 3.33Å; S202-E204 PolarHBondContact O-N 3.37Å; E204-A207 PolarHBondContact O-N 2.82Å; E204-K208 WeakPolarHBondContact O-CB 3.42Å; E204-K208 WeakPolarHBondContact O-CD 3.45Å; E204-K208 VanDerWaalsContact O-CG 3.26Å; E204-K208 WeakPolarHBondContact O-CG 3.25Å; E204-K208 PolarHBondContact O-N 3.26Å; E204-K208 IonicContact OE2-NZ 2.72Å; E204-K208 PolarHBondContact OE2-NZ 3.35Å; E204-Q227 WeakPolarHBondContact OE1-CG 3.49Å; E204-T231 HydrophobicContact CB-CG2 4.24Å; E204-T231 HydrophobicContact CG-CG2 4.03Å
205E98.8Very high98.2Very high43 Ų4338.9 Ų38.920%0.20120%0.196CC..Hα-helixtrans-65.5-41.2177.8-165.476-110.400111.1C178 A181 K182 E201 S202 A207 K208 N209C178-E205 HydrophobicContact CB-CB 4.23Å; C178-E205 HydrophobicContact CB-CG 3.89Å; A181-E205 HydrophobicContact CB-CG 4.36Å; K182-E205 WeakPolarHBondContact CE-OE1 3.24Å; K182-E205 WeakPolarHBondContact CE-OE2 3.22Å; K182-E205 HydrophobicContact CG-CG 4.47Å; K182-E205 IonicContact NZ-OE1 3.44Å; K182-E205 IonicContact NZ-OE2 3.96Å; K182-E205 PolarHBondContact NZ-OE2 2.86Å; E201-E205 PolarHBondContact O-N 3.4Å; E201-E205 VanDerWaalsContact O-N 3.08Å; S202-E205 PolarHBondContact O-N 2.74Å; E205-A207 VanDerWaalsContact C-N 3.35Å; E205-A207 PolarHBondContact O-N 2.92Å; E205-K208 PolarHBondContact O-N 2.8Å; E205-N209 PolarHBondContact O-N 2.77Å; E205-N209 VanDerWaalsContact O-N 3.09Å; E205-N209 PolarHBondContact O-ND2 3.11Å; E205-N209 PolarHBondContact OE1-ND2 2.7Å
206V98.8Very high98.2Very high3 Ų339 Ų392%0.01820%0.197CC..Hα-helixtrans-57.4-48.5170.61680000110.2I177 A181 L190 S202 K208 N209 C210 L213I177-V206 HydrophobicContact CG2-CG2 3.89Å; A181-V206 HydrophobicContact CB-CB 4.46Å; A181-V206 HydrophobicContact CB-CG2 3.89Å; L190-V206 HydrophobicContact CD2-CG1 3.97Å; L190-V206 HydrophobicContact CD2-CG2 3.73Å; S202-V206 WeakPolarHBondContact O-CB 3.4Å; S202-V206 VanDerWaalsContact O-CG2 3.25Å; S202-V206 WeakPolarHBondContact O-CG2 3.39Å; S202-V206 PolarHBondContact O-N 2.81Å; V206-K208 VanDerWaalsContact C-N 3.33Å; V206-K208 PolarHBondContact O-N 3.17Å; V206-N209 PolarHBondContact O-N 3.26Å; V206-C210 HydrophobicContact CG1-CB 4.37Å; V206-C210 WeakPolarHBondContact O-CA 3.29Å; V206-C210 VanDerWaalsContact O-CB 3.24Å; V206-C210 WeakPolarHBondContact O-CB 3.37Å; V206-C210 PolarHBondContact O-N 3.41Å; V206-L213 HydrophobicContact CG1-CD2 3.85Å
207A98.6Very high98.4Very high0 Ų037 Ų370%018%0.179CC..Hα-helixtrans-59.3-43.6-179.500000112.5V203 E204 E205 T231 L232 Y235V203-A207 WeakPolarHBondContact O-CB 3.4Å; V203-A207 PolarHBondContact O-N 3.31Å; E204-A207 PolarHBondContact O-N 2.82Å; E205-A207 VanDerWaalsContact C-N 3.35Å; E205-A207 PolarHBondContact O-N 2.92Å; A207-T231 HydrophobicContact CB-CG2 3.86Å; A207-L232 HydrophobicContact CB-CD2 3.76Å; A207-L232 HydrophobicContact CB-CG 4.21Å; A207-Y235 VanDerWaalsContact O-CB 3.28Å; A207-Y235 WeakPolarHBondContact O-CB 3.39Å
208K98.5Very high98.6Very high84 Ų8434.3 Ų34.337%0.36516%0.164SC..Hα-helixtrans-71.7-37.3-175.5-70.7165.1-168.9161.90112.9E204 E205 V206 T231 Y235E204-K208 WeakPolarHBondContact O-CB 3.42Å; E204-K208 WeakPolarHBondContact O-CD 3.45Å; E204-K208 VanDerWaalsContact O-CG 3.26Å; E204-K208 WeakPolarHBondContact O-CG 3.25Å; E204-K208 PolarHBondContact O-N 3.26Å; E204-K208 IonicContact OE2-NZ 2.72Å; E204-K208 PolarHBondContact OE2-NZ 3.35Å; E205-K208 PolarHBondContact O-N 2.8Å; V206-K208 VanDerWaalsContact C-N 3.33Å; V206-K208 PolarHBondContact O-N 3.17Å; K208-T231 HydrophobicContact CG-CG2 4.39Å; K208-Y235 HydrophobicContact CG-CD1 4.47Å; K208-Y235 HydrophobicContact CG-CD2 4.49Å; K208-Y235 HydrophobicContact CG-CG 4.4Å
209N98.6Very high98.6Very high55 Ų5535.7 Ų35.729%0.29417%0.172SC..Hα-helixtrans-95.6-37.4-175.6-64.2-84.9000113.3A181 E205 V206 R211A181-N209 HydrophobicContact CB-CB 4.48Å; A181-N209 VanDerWaalsContact O-CB 3.29Å; A181-N209 WeakPolarHBondContact O-CB 3.46Å; E205-N209 PolarHBondContact O-N 2.77Å; E205-N209 VanDerWaalsContact O-N 3.09Å; E205-N209 PolarHBondContact O-ND2 3.11Å; E205-N209 PolarHBondContact OE1-ND2 2.7Å; V206-N209 PolarHBondContact O-N 3.26Å; N209-R211 PolarHBondContact O-N 3.35Å
210C98.4Very high98.5Very high0 Ų034.7 Ų34.70%017%0.17CC..  trans-96.861.9-176.7-52.10000110.9L187 V206 G212 L213L187-C210 HydrophobicContact CB-CB 4.2Å; V206-C210 HydrophobicContact CG1-CB 4.37Å; V206-C210 WeakPolarHBondContact O-CA 3.29Å; V206-C210 VanDerWaalsContact O-CB 3.24Å; V206-C210 WeakPolarHBondContact O-CB 3.37Å; V206-C210 PolarHBondContact O-N 3.41Å; C210-G212 PolarHBondContact O-N 3.2Å; C210-L213 VanDerWaalsContact O-CB 3.24Å; C210-L213 WeakPolarHBondContact O-CB 3.44Å; C210-L213 PolarHBondContact O-N 2.88Å
211R97.6Very high98.5Very high154 Ų15433.6 Ų33.658%0.58116%0.164SC*.THydrogen-bonded Turntrans-63.1-17.1-178-60.6-174.8179.7-169.5-3114N209 L213N209-R211 PolarHBondContact O-N 3.35Å; R211-L213 VanDerWaalsContact C-N 3.29Å
212G98.1Very high98.4Very high21 Ų2133 Ų3322%0.21616%0.163CC..THydrogen-bonded Turntrans-81.51.6174.500000115L187 C210 E214L187-G212 CarbonylContact O-C 3.37Å; C210-G212 PolarHBondContact O-N 3.2Å; G212-E214 PolarHBondContact O-N 3.39Å
213L98.8Very high98.3Very high0 Ų039.6 Ų39.60%019%0.188CC..  trans-61.5127.2-176.1-163.371.9000111.5L187 L190 V206 C210 R211 L216 L232 K238 L239L187-L213 PolarHBondContact O-N 3.37Å; L190-L213 HydrophobicContact CB-CD1 4.23Å; V206-L213 HydrophobicContact CG1-CD2 3.85Å; C210-L213 VanDerWaalsContact O-CB 3.24Å; C210-L213 WeakPolarHBondContact O-CB 3.44Å; C210-L213 PolarHBondContact O-N 2.88Å; R211-L213 VanDerWaalsContact C-N 3.29Å; L213-L216 HydrophobicContact CD2-CB 3.98Å; L213-L216 HydrophobicContact CD2-CD1 4.42Å; L213-L216 HydrophobicContact CD2-CD2 4.22Å; L213-L216 HydrophobicContact CD2-CG 4.43Å; L213-L232 HydrophobicContact CD2-CD2 4.39Å; L213-K238 CarbonylContact O-C 3.54Å; L213-L239 HydrophobicContact CD2-CD1 4.29Å; L213-L239 HydrophobicContact CG-CD1 4.28Å; L213-L239 VanDerWaalsContact O-CA 3.28Å; L213-L239 WeakPolarHBondContact O-CA 3.4Å; L213-L239 PolarHBondContact O-N 2.6Å
214E98.8Very high98.3Very high43 Ų4339.5 Ų39.520%0.20119%0.188CC..  trans-108.9-34.1-179-67.4168.2-161.400110.8K188 G212 K238 Q240 S241K188-E214 HydrophobicContact CB-CG 4.49Å; K188-E214 IonicContact NZ-OE1 2.71Å; K188-E214 PolarHBondContact NZ-OE1 2.87Å; K188-E214 CarbonylContact O-C 3.46Å; K188-E214 WeakPolarHBondContact O-CA 3.41Å; K188-E214 WeakPolarHBondContact O-CB 3.46Å; K188-E214 PolarHBondContact O-N 3.28Å; G212-E214 PolarHBondContact O-N 3.39Å; E214-K238 HydrophobicContact CG-CB 4.42Å; E214-Q240 WeakPolarHBondContact O-CA 3.5Å; E214-Q240 PolarHBondContact O-N 2.98Å; E214-S241 PolarHBondContact O-N 3Å
215Q98.9Very high98.2Very high88 Ų8844.6 Ų44.641%0.41121%0.205SC..EExtended strand (participates in β ladder)trans-136.2131.2-177.4-57.61808.500110.9K188 S189 L190 S241K188-Q215 PolarHBondContact O-N 2.94Å; S189-Q215 WeakPolarHBondContact CA-O 3Å; L190-Q215 PolarHBondContact N-O 2.71Å; Q215-S241 WeakPolarHBondContact CA-O 3.48Å
216L98.9Very high98.2Very high5 Ų544.4 Ų44.43%0.02621%0.206CC..EExtended strand (participates in β ladder)trans-134.9126.7174.2-17760.2000110.6L190 V203 L213 L218 L232 L239 S241 L242 R243L190-L216 HydrophobicContact CB-CD1 4.01Å; L190-L216 HydrophobicContact CD2-CD1 4.01Å; L190-L216 HydrophobicContact CG-CD1 4Å; L190-L216 WeakPolarHBondContact O-CA 3.39Å; V203-L216 HydrophobicContact CG1-CD2 4.37Å; L213-L216 HydrophobicContact CD2-CB 3.98Å; L213-L216 HydrophobicContact CD2-CD1 4.42Å; L213-L216 HydrophobicContact CD2-CD2 4.22Å; L213-L216 HydrophobicContact CD2-CG 4.43Å; L216-L218 HydrophobicContact CD1-CD2 4Å; L216-L218 HydrophobicContact CD1-CG 4.41Å; L216-L218 HydrophobicContact CD2-CD1 3.96Å; L216-L218 HydrophobicContact CD2-CD2 4.21Å; L216-L218 HydrophobicContact CD2-CG 4.07Å; L216-L218 HydrophobicContact CG-CD1 4.36Å; L216-L218 HydrophobicContact CG-CD2 4.06Å; L216-L218 HydrophobicContact CG-CG 3.93Å; L216-L232 HydrophobicContact CD2-CD1 3.49Å; L216-L232 VanDerWaalsContact CD2-CD1 3.49Å; L216-L232 HydrophobicContact CD2-CD2 3.64Å; L216-L232 HydrophobicContact CD2-CG 4.23Å; L216-L239 HydrophobicContact CB-CD1 4.26Å; L216-S241 PolarHBondContact N-O 3.04Å; L216-L242 HydrophobicContact CB-CD1 4.15Å; L216-L242 HydrophobicContact CD2-CD1 4.15Å; L216-L242 HydrophobicContact CG-CD1 4.24Å; L216-L242 CarbonylContact O-C 3.39Å; L216-L242 WeakPolarHBondContact O-CA 3.44Å; L216-R243 PolarHBondContact O-N 3.41Å
217D98.9Very high98.2Very high16 Ų1649.5 Ų49.59%0.08623%0.229CC..EExtended strand (participates in β ladder)trans-112.9114.7173.7-167.9-15.8000110.7L190 L192 A193 T219 R243L190-D217 PolarHBondContact O-N 2.87Å; L192-D217 PolarHBondContact N-O 3.47Å; A193-D217 PolarHBondContact N-O 3.16Å; D217-T219 WeakPolarHBondContact OD1-CB 3.37Å; D217-T219 PolarHBondContact OD1-N 2.74Å; D217-T219 PolarHBondContact OD1-OG1 2.89Å; D217-R243 HydrophobicContact CB-CB 4.24Å; D217-R243 WeakPolarHBondContact OD1-CB 3.42Å; D217-R243 WeakPolarHBondContact OD2-CD 3.49Å; D217-R243 IonicContact OD2-CZ 3.83Å; D217-R243 VanDerWaalsContact OD2-CZ 3.28Å; D217-R243 IonicContact OD2-NE 2.78Å; D217-R243 IonicContact OD2-NH1 3.11Å; D217-R243 PolarHBondContact OD2-NH1 3.14Å
218L98.7Very high98.2Very high0 Ų049.5 Ų49.50%023%0.229CC..  trans-114.615.3176.7-56.8176.8000111.3L192 V203 L216 G220 C221 V224 I229 L232 L242 R243 V244 C247L192-L218 HydrophobicContact CB-CD2 4.18Å; L192-L218 HydrophobicContact CD1-CD2 4.12Å; V203-L218 HydrophobicContact CG1-CD1 4.02Å; V203-L218 HydrophobicContact CG2-CD1 4.05Å; V203-L218 HydrophobicContact CG2-CD2 3.88Å; L216-L218 HydrophobicContact CD1-CD2 4Å; L216-L218 HydrophobicContact CD1-CG 4.41Å; L216-L218 HydrophobicContact CD2-CD1 3.96Å; L216-L218 HydrophobicContact CD2-CD2 4.21Å; L216-L218 HydrophobicContact CD2-CG 4.07Å; L216-L218 HydrophobicContact CG-CD1 4.36Å; L216-L218 HydrophobicContact CG-CD2 4.06Å; L216-L218 HydrophobicContact CG-CG 3.93Å; L218-G220 PolarHBondContact O-N 2.77Å; L218-C221 HydrophobicContact CB-CB 4.36Å; L218-C221 WeakPolarHBondContact O-CB 3.45Å; L218-C221 PolarHBondContact O-N 3.32Å; L218-C221 PolarHBondContact O-SG 2.61Å; L218-V224 HydrophobicContact CD1-CG1 4.02Å; L218-I229 HydrophobicContact CD1-CD1 4.06Å; L218-L232 HydrophobicContact CD1-CD1 4.5Å; L218-L242 HydrophobicContact CD1-CD1 4.29Å; L218-R243 WeakPolarHBondContact CA-O 3.44Å; L218-R243 WeakPolarHBondContact CB-O 3.34Å; L218-R243 PolarHBondContact N-O 2.8Å; L218-V244 HydrophobicContact CB-CG1 4.33Å; L218-V244 HydrophobicContact CD1-CG1 4.43Å; L218-C247 PolarHBondContact O-SG 2.87Å
219T98.6Very high98.2Very high29 Ų2945.5 Ų45.518%0.17821%0.212CC..THydrogen-bonded Turntrans-51.7126-175.7-58.10000110.9A193 V194 D217 C221 R243 N245A193-T219 CarbonylContact C-O 3.43Å; A193-T219 VanDerWaalsContact CA-O 3.22Å; A193-T219 WeakPolarHBondContact CA-O 3.31Å; A193-T219 WeakPolarHBondContact CB-O 3.48Å; V194-T219 PolarHBondContact N-O 3.37Å; D217-T219 WeakPolarHBondContact OD1-CB 3.37Å; D217-T219 PolarHBondContact OD1-N 2.74Å; D217-T219 PolarHBondContact OD1-OG1 2.89Å; T219-C221 PolarHBondContact O-N 3.32Å; T219-R243 WeakPolarHBondContact OG1-CB 3.22Å; T219-N245 CarbonylContact C-O 3.5Å; T219-N245 VanDerWaalsContact CA-O 3.3Å; T219-N245 WeakPolarHBondContact CA-O 3.29Å; T219-N245 HydrophobicContact CG2-CB 4.01Å; T219-N245 WeakPolarHBondContact CG2-O 3.37Å
220G97.2Very high98.1Very high16 Ų1648.7 Ų48.717%0.16522%0.22CC..THydrogen-bonded Turntrans7110.518000000115.4L218 L222 N245L218-G220 PolarHBondContact O-N 2.77Å; G220-L222 VanDerWaalsContact C-N 3.34Å; G220-L222 PolarHBondContact O-N 2.83Å; G220-N245 PolarHBondContact N-O 3.01Å
221C97.6Very high98.2Very high0 Ų049 Ų490%022%0.222CC..  trans-76.884.9167.9-67.80000110L192 L218 T219 R223 V224 C247L192-C221 PolarHBondContact O-SG 3.42Å; L218-C221 HydrophobicContact CB-CB 4.36Å; L218-C221 WeakPolarHBondContact O-CB 3.45Å; L218-C221 PolarHBondContact O-N 3.32Å; L218-C221 PolarHBondContact O-SG 2.61Å; T219-C221 PolarHBondContact O-N 3.32Å; C221-R223 PolarHBondContact O-N 2.86Å; C221-V224 HydrophobicContact CB-CB 4.34Å; C221-V224 HydrophobicContact CB-CG2 3.65Å; C221-V224 PolarHBondContact O-N 3.23Å; C221-C247 PolarHBondContact O-SG 3.09Å
222L96Very high98.2Very high93 Ų9341.7 Ų41.749%0.48719%0.194SC..THydrogen-bonded Turntrans-63.7-15.2-170.2-55.3-178.1000115.2G220 H246G220-L222 VanDerWaalsContact C-N 3.34Å; G220-L222 PolarHBondContact O-N 2.83Å; L222-H246 VanDerWaalsContact CD2-O 3.25Å; L222-H246 WeakPolarHBondContact CD2-O 3.48Å
223R97.4Very high98.2Very high139 Ų13941.6 Ų41.653%0.52519%0.191SC..BIsolated β-bridgetrans-102-1.6-177.8-60.7-178.8175.1179.90.1113.8A196 I198 T199 C221A196-R223 WeakPolarHBondContact O-CD 3.48Å; A196-R223 PolarHBondContact O-NE 3.4Å; I198-R223 WeakPolarHBondContact O-CB 3.49Å; T199-R223 HydrophobicContact CG2-CB 3.91Å; C221-R223 PolarHBondContact O-N 2.86Å
224V97.9Very high98.2Very high0 Ų048.1 Ų48.10%022%0.222CC..  trans-75.8137.6172171.70000109.3V203 L218 C221 I229 V250V203-V224 HydrophobicContact CG2-CG2 4.02Å; L218-V224 HydrophobicContact CD1-CG1 4.02Å; C221-V224 HydrophobicContact CB-CB 4.34Å; C221-V224 HydrophobicContact CB-CG2 3.65Å; C221-V224 PolarHBondContact O-N 3.23Å; V224-I229 HydrophobicContact CG1-CD1 4.08Å; V224-V250 HydrophobicContact CG1-CG2 4.11Å
225R98.3Very high98.1Very high147 Ų14749.8 Ų49.856%0.55523%0.227SC*.  trans-132174.9-176.9-45.2178.1176.4165.5-0.7110.9D200 Q227 S228 N249D200-R225 PolarHBondContact OD1-N 3.18Å; D200-R225 WeakPolarHBondContact OD2-CB 3.49Å; R225-Q227 PolarHBondContact O-N 3.25Å; R225-S228 PolarHBondContact O-N 3.26Å; R225-S228 PolarHBondContact O-OG 3.45Å; R225-S228 VanDerWaalsContact O-OG 3.13Å; R225-N249 HydrophobicContact CB-CB 4.39Å; R225-N249 HydrophobicContact CG-CB 4.03Å
226N98.2Very high98.1Very high40 Ų4045.6 Ų45.621%0.21421%0.207CC..Hα-helixtrans-47.6-31.2178.5-70.7-29.1000115.4R230 N249 T251 S254N226-R230 WeakPolarHBondContact O-CG 3.33Å; N226-R230 PolarHBondContact O-N 3.16Å; N226-R230 VanDerWaalsContact O-N 3.1Å; N226-N249 PolarHBondContact N-O 2.79Å; N226-T251 VanDerWaalsContact CG-OG1 3.3Å; N226-T251 PolarHBondContact ND2-OG1 3.06Å; N226-T251 PolarHBondContact OD1-N 3.04Å; N226-T251 PolarHBondContact OD1-OG1 3.49Å; N226-S254 WeakPolarHBondContact OD1-CB 3.28Å; N226-S254 PolarHBondContact OD1-OG 3.34Å
227Q97.8Very high98Very high110 Ų11049.6 Ų49.651%0.51423%0.234SC..Hα-helixtrans-67-48.4-172.6-176.157.731.100111.8E204 R225 I229 R230 T231E204-Q227 WeakPolarHBondContact OE1-CG 3.49Å; R225-Q227 PolarHBondContact O-N 3.25Å; Q227-I229 VanDerWaalsContact C-N 3.32Å; Q227-I229 PolarHBondContact O-N 3.23Å; Q227-R230 WeakPolarHBondContact O-CB 3.22Å; Q227-R230 PolarHBondContact O-N 3.3Å; Q227-T231 PolarHBondContact O-N 3.47Å; Q227-T231 VanDerWaalsContact O-N 3.11Å; Q227-T231 PolarHBondContact O-OG1 3.47Å
228S98.1Very high98Very high0 Ų054.8 Ų54.80%026%0.255CS..Hα-helixtrans-66.9-33.8178.9590000112.8D200 R225 R230 T231 L232D200-S228 VanDerWaalsContact OD1-CB 3.24Å; D200-S228 WeakPolarHBondContact OD1-CB 3.41Å; D200-S228 PolarHBondContact OD1-OG 2.79Å; R225-S228 PolarHBondContact O-N 3.26Å; R225-S228 PolarHBondContact O-OG 3.45Å; R225-S228 VanDerWaalsContact O-OG 3.13Å; S228-R230 VanDerWaalsContact C-N 3.34Å; S228-R230 PolarHBondContact O-N 3.08Å; S228-T231 WeakPolarHBondContact O-CB 3.36Å; S228-T231 PolarHBondContact O-N 2.87Å; S228-L232 WeakPolarHBondContact O-CG 3.38Å; S228-L232 PolarHBondContact O-N 2.57Å
229I98.6Very high98Very high0 Ų055.1 Ų55.10%026%0.257CS..Hα-helixtrans-63.2-39.5174-53.8-50.8000111.6L218 V224 Q227 T231 L232 A233 L242 V244 V250 S254 L255 L258L218-I229 HydrophobicContact CD1-CD1 4.06Å; V224-I229 HydrophobicContact CG1-CD1 4.08Å; Q227-I229 VanDerWaalsContact C-N 3.32Å; Q227-I229 PolarHBondContact O-N 3.23Å; I229-T231 VanDerWaalsContact C-N 3.34Å; I229-L232 HydrophobicContact CD1-CD1 4.04Å; I229-L232 WeakPolarHBondContact O-CB 3.43Å; I229-L232 PolarHBondContact O-N 3.24Å; I229-A233 PolarHBondContact O-N 3.43Å; I229-L242 HydrophobicContact CD1-CD2 4.3Å; I229-L242 HydrophobicContact CG2-CD2 4.21Å; I229-V244 HydrophobicContact CD1-CG1 4.08Å; I229-V250 HydrophobicContact CD1-CG2 4.42Å; I229-V250 HydrophobicContact CG1-CG1 4.02Å; I229-V250 HydrophobicContact CG1-CG2 3.95Å; I229-S254 WeakPolarHBondContact CG2-O 3.33Å; I229-L255 HydrophobicContact CG2-CD2 3.81Å; I229-L258 HydrophobicContact CG2-CD1 3.9Å
230R98.4Very high98Very high122 Ų12259.1 Ų59.146%0.4627%0.274SS..Hα-helixtrans-63.5-42.1173.1-70.6170.6-174.5-125.3-0.9111.3N226 Q227 S228 L232 A233 E234N226-R230 WeakPolarHBondContact O-CG 3.33Å; N226-R230 PolarHBondContact O-N 3.16Å; N226-R230 VanDerWaalsContact O-N 3.1Å; Q227-R230 WeakPolarHBondContact O-CB 3.22Å; Q227-R230 PolarHBondContact O-N 3.3Å; S228-R230 VanDerWaalsContact C-N 3.34Å; S228-R230 PolarHBondContact O-N 3.08Å; R230-L232 VanDerWaalsContact C-N 3.34Å; R230-L232 PolarHBondContact O-N 3.5Å; R230-A233 WeakPolarHBondContact O-CB 3.34Å; R230-A233 PolarHBondContact O-N 3Å; R230-A233 VanDerWaalsContact O-N 3.14Å; R230-E234 PolarHBondContact O-N 3.49Å
231T98.6Very high98.1Very high7 Ų759.8 Ų59.84%0.04328%0.276CS..Hα-helixtrans-61.3-41.2175.2-52.30000111.5E204 A207 K208 Q227 S228 I229 A233 E234 Y235E204-T231 HydrophobicContact CB-CG2 4.24Å; E204-T231 HydrophobicContact CG-CG2 4.03Å; A207-T231 HydrophobicContact CB-CG2 3.86Å; K208-T231 HydrophobicContact CG-CG2 4.39Å; Q227-T231 PolarHBondContact O-N 3.47Å; Q227-T231 VanDerWaalsContact O-N 3.11Å; Q227-T231 PolarHBondContact O-OG1 3.47Å; S228-T231 WeakPolarHBondContact O-CB 3.36Å; S228-T231 PolarHBondContact O-N 2.87Å; I229-T231 VanDerWaalsContact C-N 3.34Å; T231-A233 VanDerWaalsContact C-N 3.33Å; T231-A233 PolarHBondContact O-N 3.36Å; T231-E234 PolarHBondContact O-N 3.41Å; T231-Y235 HydrophobicContact CG2-CD2 3.66Å; T231-Y235 HydrophobicContact CG2-CE2 4.13Å; T231-Y235 WeakPolarHBondContact O-CD2 3.34Å; T231-Y235 PolarHBondContact O-N 3.1Å
232L98.5Very high98.1Very high0 Ų059.8 Ų59.80%028%0.276CS..Hα-helixtrans-59.9-43.1172.7-72.2166000111.9V203 A207 L213 L216 L218 S228 I229 R230 E234 C236 L242V203-L232 HydrophobicContact CG1-CD1 3.63Å; V203-L232 HydrophobicContact CG1-CD2 4.34Å; V203-L232 HydrophobicContact CG1-CG 3.98Å; A207-L232 HydrophobicContact CB-CD2 3.76Å; A207-L232 HydrophobicContact CB-CG 4.21Å; L213-L232 HydrophobicContact CD2-CD2 4.39Å; L216-L232 HydrophobicContact CD2-CD1 3.49Å; L216-L232 VanDerWaalsContact CD2-CD1 3.49Å; L216-L232 HydrophobicContact CD2-CD2 3.64Å; L216-L232 HydrophobicContact CD2-CG 4.23Å; L218-L232 HydrophobicContact CD1-CD1 4.5Å; S228-L232 WeakPolarHBondContact O-CG 3.38Å; S228-L232 PolarHBondContact O-N 2.57Å; I229-L232 HydrophobicContact CD1-CD1 4.04Å; I229-L232 WeakPolarHBondContact O-CB 3.43Å; I229-L232 PolarHBondContact O-N 3.24Å; R230-L232 VanDerWaalsContact C-N 3.34Å; R230-L232 PolarHBondContact O-N 3.5Å; L232-E234 PolarHBondContact O-N 3.22Å; L232-C236 VanDerWaalsContact O-CB 3.3Å; L232-C236 WeakPolarHBondContact O-CB 3.22Å; L232-C236 PolarHBondContact O-N 3.48Å; L232-L242 HydrophobicContact CD1-CD1 4.29Å
233A97.9Very high98.3Very high18 Ų1860.8 Ų60.815%0.14927%0.273CS..Hα-helixtrans-62.5-32.6178.200000113.3I229 R230 T231 P257 L258 R261I229-A233 PolarHBondContact O-N 3.43Å; R230-A233 WeakPolarHBondContact O-CB 3.34Å; R230-A233 PolarHBondContact O-N 3Å; R230-A233 VanDerWaalsContact O-N 3.14Å; T231-A233 VanDerWaalsContact C-N 3.33Å; T231-A233 PolarHBondContact O-N 3.36Å; A233-P257 HydrophobicContact CB-CB 4.07Å; A233-L258 HydrophobicContact CB-CD2 3.69Å; A233-L258 HydrophobicContact CB-CG 3.85Å; A233-R261 PolarHBondContact O-NH1 2.76Å
234E97.9Very high98.3Very high137 Ų13754.4 Ų54.464%0.6425%0.249SC*.Hα-helixtrans-81.4-46.8179.4-173-179.1167.400112.6R230 T231 L232R230-E234 PolarHBondContact O-N 3.49Å; T231-E234 PolarHBondContact O-N 3.41Å; L232-E234 PolarHBondContact O-N 3.22Å
235Y98.3Very high98.2Very high78 Ų7857.2 Ų57.231%0.30626%0.264SS..Hα-helixtrans-100-14.2-167.9-70-88.7000115.1A207 K208 T231 P237A207-Y235 VanDerWaalsContact O-CB 3.28Å; A207-Y235 WeakPolarHBondContact O-CB 3.39Å; K208-Y235 HydrophobicContact CG-CD1 4.47Å; K208-Y235 HydrophobicContact CG-CD2 4.49Å; K208-Y235 HydrophobicContact CG-CG 4.4Å; T231-Y235 HydrophobicContact CG2-CD2 3.66Å; T231-Y235 HydrophobicContact CG2-CE2 4.13Å; T231-Y235 WeakPolarHBondContact O-CD2 3.34Å; T231-Y235 PolarHBondContact O-N 3.1Å; Y235-P237 VanDerWaalsContact C-CD 3.46Å; Y235-P237 WeakPolarHBondContact O-CD 3.27Å
236C98.3Very high98.1Very high0 Ų056 Ų560%027%0.265CS..  trans-109.979179.7-58.70000111.7L232 K238 L239 R261L232-C236 VanDerWaalsContact O-CB 3.3Å; L232-C236 WeakPolarHBondContact O-CB 3.22Å; L232-C236 PolarHBondContact O-N 3.48Å; C236-K238 PolarHBondContact O-N 3.42Å; C236-L239 HydrophobicContact CB-CB 4.06Å; C236-L239 WeakPolarHBondContact O-CB 3.21Å; C236-L239 PolarHBondContact O-N 3.39Å; C236-R261 PolarHBondContact O-NH1 2.96Å; C236-R261 VanDerWaalsContact O-NH1 3.16Å; C236-R261 PolarHBondContact O-NH2 3.37Å
237P97.6Very high97.9Very high90 Ų9054.4 Ų54.458%0.58426%0.257SS*.THydrogen-bonded Turntrans-67.5-20.2-178.528.2-36.3000113.5Y235 R261Y235-P237 VanDerWaalsContact C-CD 3.46Å; Y235-P237 WeakPolarHBondContact O-CD 3.27Å; P237-R261 PolarHBondContact O-NH2 3.36Å
238K98.3Very high97.6Very high125 Ų12556 Ų5654%0.54326%0.264SS..THydrogen-bonded Turntrans-94.40.4-179.9-64-169.8-179.1179.60114.4L213 E214 C236 Q240L213-K238 CarbonylContact O-C 3.54Å; E214-K238 HydrophobicContact CG-CB 4.42Å; C236-K238 PolarHBondContact O-N 3.42Å; K238-Q240 WeakPolarHBondContact O-CG 3.49Å; K238-Q240 PolarHBondContact O-N 3.13Å
239L98.8Very high97.5Very high7 Ų760.1 Ų60.14%0.03729%0.286CS..  trans-60.8129.1-179.3-165.567.8000109.8L213 L216 C236 L242 L258 V263L213-L239 HydrophobicContact CD2-CD1 4.29Å; L213-L239 HydrophobicContact CG-CD1 4.28Å; L213-L239 VanDerWaalsContact O-CA 3.28Å; L213-L239 WeakPolarHBondContact O-CA 3.4Å; L213-L239 PolarHBondContact O-N 2.6Å; L216-L239 HydrophobicContact CB-CD1 4.26Å; C236-L239 HydrophobicContact CB-CB 4.06Å; C236-L239 WeakPolarHBondContact O-CB 3.21Å; C236-L239 PolarHBondContact O-N 3.39Å; L239-L242 HydrophobicContact CD2-CB 4.34Å; L239-L258 HydrophobicContact CD2-CD2 4.05Å; L239-V263 HydrophobicContact CD2-CG1 4.43Å; L239-V263 HydrophobicContact CG-CG1 4.31Å; L239-V263 WeakPolarHBondContact O-CG2 3.15Å
240Q98.5Very high97.4Very high113 Ų11361.1 Ų61.153%0.52829%0.292SS..  trans-118.7-31-178.4-66.9172.413.800111.7E214 K238 V264E214-Q240 WeakPolarHBondContact O-CA 3.5Å; E214-Q240 PolarHBondContact O-N 2.98Å; K238-Q240 WeakPolarHBondContact O-CG 3.49Å; K238-Q240 PolarHBondContact O-N 3.13Å; Q240-V264 PolarHBondContact O-N 3.03Å
241S98.7Very high97.2Very high29 Ų2958.2 Ų58.220%0.20329%0.288CS..EExtended strand (participates in β ladder)trans-136.7132178-176.50000111.3E214 Q215 L216 V264E214-S241 PolarHBondContact O-N 3Å; Q215-S241 WeakPolarHBondContact CA-O 3.48Å; L216-S241 PolarHBondContact N-O 3.04Å; S241-V264 WeakPolarHBondContact CA-O 3.46Å
242L98.8Very high97Very high0 Ų059.5 Ų59.50%029%0.293CS..EExtended strand (participates in β ladder)trans-129.2121.1172.6173.763.9000108.7L216 L218 I229 L232 L239 V244 L255 L258 V263 V264 I265L216-L242 HydrophobicContact CB-CD1 4.15Å; L216-L242 HydrophobicContact CD2-CD1 4.15Å; L216-L242 HydrophobicContact CG-CD1 4.24Å; L216-L242 CarbonylContact O-C 3.39Å; L216-L242 WeakPolarHBondContact O-CA 3.44Å; L218-L242 HydrophobicContact CD1-CD1 4.29Å; I229-L242 HydrophobicContact CD1-CD2 4.3Å; I229-L242 HydrophobicContact CG2-CD2 4.21Å; L232-L242 HydrophobicContact CD1-CD1 4.29Å; L239-L242 HydrophobicContact CD2-CB 4.34Å; L242-V244 HydrophobicContact CD1-CG1 3.91Å; L242-V244 HydrophobicContact CD2-CG1 4.08Å; L242-V244 HydrophobicContact CG-CG1 3.86Å; L242-L255 HydrophobicContact CD2-CD2 4.02Å; L242-L258 HydrophobicContact CD2-CD1 3.44Å; L242-L258 VanDerWaalsContact CD2-CD1 3.44Å; L242-V263 HydrophobicContact CB-CG1 4.17Å; L242-V264 PolarHBondContact N-O 3.2Å; L242-I265 HydrophobicContact CB-CG1 4.49Å; L242-I265 WeakPolarHBondContact O-CA 3.45Å
243R98.7Very high96.7Very high115 Ų11562.6 Ų62.643%0.43432%0.315SS..EExtended strand (participates in β ladder)trans-103.8125.6171.2-56.9-170.3-139160.1-3.1110.9L216 D217 L218 T219 D266L216-R243 PolarHBondContact O-N 3.41Å; D217-R243 HydrophobicContact CB-CB 4.24Å; D217-R243 WeakPolarHBondContact OD1-CB 3.42Å; D217-R243 WeakPolarHBondContact OD2-CD 3.49Å; D217-R243 IonicContact OD2-CZ 3.83Å; D217-R243 VanDerWaalsContact OD2-CZ 3.28Å; D217-R243 IonicContact OD2-NE 2.78Å; D217-R243 IonicContact OD2-NH1 3.11Å; D217-R243 PolarHBondContact OD2-NH1 3.14Å; L218-R243 WeakPolarHBondContact CA-O 3.44Å; L218-R243 WeakPolarHBondContact CB-O 3.34Å; L218-R243 PolarHBondContact N-O 2.8Å; T219-R243 WeakPolarHBondContact OG1-CB 3.22Å; R243-D266 VanDerWaalsContact CA-CG 3.48Å; R243-D266 VanDerWaalsContact CA-OD1 3.27Å; R243-D266 WeakPolarHBondContact CA-OD1 3.2Å; R243-D266 HydrophobicContact CB-CB 4.43Å; R243-D266 WeakPolarHBondContact CB-OD2 3.37Å; R243-D266 HydrophobicContact CG-CB 4.23Å
244V98.1Very high96.7Very high4 Ų461.8 Ų61.82%0.02431%0.308CS..  trans-139.118.7-177.7-71.20000111.5L218 I229 L242 H246 C247 V250 L255 I265 D266 V267L218-V244 HydrophobicContact CB-CG1 4.33Å; L218-V244 HydrophobicContact CD1-CG1 4.43Å; I229-V244 HydrophobicContact CD1-CG1 4.08Å; L242-V244 HydrophobicContact CD1-CG1 3.91Å; L242-V244 HydrophobicContact CD2-CG1 4.08Å; L242-V244 HydrophobicContact CG-CG1 3.86Å; V244-H246 PolarHBondContact O-N 2.67Å; V244-C247 HydrophobicContact CB-CB 4.23Å; V244-C247 VanDerWaalsContact O-CB 3.24Å; V244-C247 WeakPolarHBondContact O-CB 3.17Å; V244-C247 PolarHBondContact O-N 2.99Å; V244-V250 HydrophobicContact CG2-CG1 4.39Å; V244-L255 HydrophobicContact CG2-CD1 4.37Å; V244-L255 HydrophobicContact CG2-CD2 4.04Å; V244-I265 HydrophobicContact CG2-CG2 4.03Å; V244-D266 PolarHBondContact N-OD1 3.26Å; V244-D266 PolarHBondContact N-OD2 3.5Å; V244-V267 HydrophobicContact CG2-CG2 3.92Å
245N96.1Very high96.7Very high59 Ų5955.4 Ų55.432%0.31628%0.279SS..THydrogen-bonded Turntrans-53.4141.3171.5-92.2-43.1000111T219 G220 C247 D266T219-N245 CarbonylContact C-O 3.5Å; T219-N245 VanDerWaalsContact CA-O 3.3Å; T219-N245 WeakPolarHBondContact CA-O 3.29Å; T219-N245 HydrophobicContact CG2-CB 4.01Å; T219-N245 WeakPolarHBondContact CG2-O 3.37Å; G220-N245 PolarHBondContact N-O 3.01Å; N245-C247 PolarHBondContact O-N 2.95Å; N245-C247 VanDerWaalsContact O-N 3.17Å; N245-D266 WeakPolarHBondContact CB-OD2 3.21Å; N245-D266 PolarHBondContact N-OD1 3.43Å; N245-D266 PolarHBondContact N-OD2 2.88Å; N245-D266 VanDerWaalsContact N-OD2 3.16Å; N245-D266 WeakPolarHBondContact ND2-CB 3.32Å; N245-D266 PolarHBondContact ND2-O 2.82Å; N245-D266 PolarHBondContact ND2-OD2 3.38Å; N245-D266 PolarHBondContact OD1-O 3.5Å
246H95.1Very high96.5Very high122 Ų12254.8 Ų54.857%0.56528%0.28SS*.THydrogen-bonded Turntrans60.914.2-174.7-49.4-69.9000115.5L222 V244 H248L222-H246 VanDerWaalsContact CD2-O 3.25Å; L222-H246 WeakPolarHBondContact CD2-O 3.48Å; V244-H246 PolarHBondContact O-N 2.67Å; H246-H248 PolarHBondContact O-N 3.01Å
247C95.7Very high96.4Very high7 Ų757.4 Ų57.45%0.04730%0.297CS..  trans-88.281.1165.3-66.70000110.6L218 C221 V244 N245 N249 V250L218-C247 PolarHBondContact O-SG 2.87Å; C221-C247 PolarHBondContact O-SG 3.09Å; V244-C247 HydrophobicContact CB-CB 4.23Å; V244-C247 VanDerWaalsContact O-CB 3.24Å; V244-C247 WeakPolarHBondContact O-CB 3.17Å; V244-C247 PolarHBondContact O-N 2.99Å; N245-C247 PolarHBondContact O-N 2.95Å; N245-C247 VanDerWaalsContact O-N 3.17Å; C247-N249 PolarHBondContact O-N 2.77Å; C247-V250 HydrophobicContact CB-CB 4.1Å; C247-V250 HydrophobicContact CB-CG2 3.74Å; C247-V250 PolarHBondContact O-N 3.1Å
248H91.4Very high96.4Very high144 Ų14453.1 Ų53.167%0.66727%0.269SS*.THydrogen-bonded Turntrans-60.5-17.2-172.2-57.6-48.7000115.7H246H246-H248 PolarHBondContact O-N 3.01Å
249N94.9Very high96.3Very high85 Ų8549.9 Ų49.946%0.45525%0.254SS..THydrogen-bonded Turntrans-98.25.4179.8-68.556.8000113.2R225 N226 C247R225-N249 HydrophobicContact CB-CB 4.39Å; R225-N249 HydrophobicContact CG-CB 4.03Å; N226-N249 PolarHBondContact N-O 2.79Å; C247-N249 PolarHBondContact O-N 2.77Å
250V96.6Very high96.1Very high21 Ų2157.1 Ų57.113%0.12729%0.285CS..  trans-98123.4171.6176.30000108.5V224 I229 V244 C247 L255V224-V250 HydrophobicContact CG1-CG2 4.11Å; I229-V250 HydrophobicContact CD1-CG2 4.42Å; I229-V250 HydrophobicContact CG1-CG1 4.02Å; I229-V250 HydrophobicContact CG1-CG2 3.95Å; V244-V250 HydrophobicContact CG2-CG1 4.39Å; C247-V250 HydrophobicContact CB-CB 4.1Å; C247-V250 HydrophobicContact CB-CG2 3.74Å; C247-V250 PolarHBondContact O-N 3.1Å; V250-L255 HydrophobicContact CG1-CD1 4.09Å; V250-L255 HydrophobicContact CG1-CD2 3.89Å; V250-L255 HydrophobicContact CG1-CG 3.99Å
251T94.9Very high96Very high61 Ų6155.7 Ų55.737%0.37428%0.275SS..  trans-112.2157.3-178.366.80000110.6N226 S253 S254N226-T251 VanDerWaalsContact CG-OG1 3.3Å; N226-T251 PolarHBondContact ND2-OG1 3.06Å; N226-T251 PolarHBondContact OD1-N 3.04Å; N226-T251 PolarHBondContact OD1-OG1 3.49Å; T251-S253 PolarHBondContact O-N 2.91Å; T251-S253 VanDerWaalsContact O-N 3.1Å; T251-S253 PolarHBondContact OG1-OG 3.15Å; T251-S254 PolarHBondContact O-N 3.3Å; T251-S254 PolarHBondContact O-OG 3.05Å
252E93.4Very high95.9Very high35 Ų3561.4 Ų61.416%0.16430%0.303CS..Hα-helixtrans-52.2-36.1177.7-17461.5-154.100113.1S254 L255 D256 R259 P270E252-S254 PolarHBondContact O-N 2.85Å; E252-L255 WeakPolarHBondContact O-CA 3.47Å; E252-L255 PolarHBondContact O-N 3.48Å; E252-D256 WeakPolarHBondContact CG-OD1 3.24Å; E252-D256 PolarHBondContact O-N 3.14Å; E252-R259 VanDerWaalsContact OE1-CD 3.31Å; E252-R259 WeakPolarHBondContact OE1-CD 3.42Å; E252-R259 IonicContact OE1-CZ 2.87Å; E252-R259 IonicContact OE1-NE 3.85Å; E252-R259 PolarHBondContact OE1-NE 3.21Å; E252-R259 IonicContact OE1-NH2 2.83Å; E252-R259 IonicContact OE2-CZ 2.86Å; E252-R259 IonicContact OE2-NE 2.76Å; E252-R259 PolarHBondContact OE2-NE 2.85Å; E252-R259 IonicContact OE2-NH2 3.24Å; E252-R259 PolarHBondContact OE2-NH2 3.45Å; E252-P270 HydrophobicContact CB-CG 3.86Å; E252-P270 HydrophobicContact CG-CG 3.77Å
253S94Very high95.8Very high65 Ų6561.8 Ų61.846%0.45531%0.305SS..Hα-helixtrans-58.4-24.5179.470.80000114.6T251T251-S253 PolarHBondContact O-N 2.91Å; T251-S253 VanDerWaalsContact O-N 3.1Å; T251-S253 PolarHBondContact OG1-OG 3.15Å
254S96.7Very high95.8Very high0 Ų061 Ų610%031%0.313CS..Hα-helixtrans-88.4-23.2174.569.30000113.2N226 I229 T251 E252 P257N226-S254 WeakPolarHBondContact OD1-CB 3.28Å; N226-S254 PolarHBondContact OD1-OG 3.34Å; I229-S254 WeakPolarHBondContact CG2-O 3.33Å; T251-S254 PolarHBondContact O-N 3.3Å; T251-S254 PolarHBondContact O-OG 3.05Å; E252-S254 PolarHBondContact O-N 2.85Å; S254-P257 WeakPolarHBondContact O-CD 3.4Å
255L97.2Very high95.8Very high4 Ų461.7 Ų61.72%0.02132%0.317CS..Hα-helixtrans-89.2-29.2-178-60.6172000112.1I229 L242 V244 V250 E252 P257 L258 R259 I265I229-L255 HydrophobicContact CG2-CD2 3.81Å; L242-L255 HydrophobicContact CD2-CD2 4.02Å; V244-L255 HydrophobicContact CG2-CD1 4.37Å; V244-L255 HydrophobicContact CG2-CD2 4.04Å; V250-L255 HydrophobicContact CG1-CD1 4.09Å; V250-L255 HydrophobicContact CG1-CD2 3.89Å; V250-L255 HydrophobicContact CG1-CG 3.99Å; E252-L255 WeakPolarHBondContact O-CA 3.47Å; E252-L255 PolarHBondContact O-N 3.48Å; L255-P257 VanDerWaalsContact C-CD 3.44Å; L255-P257 VanDerWaalsContact C-N 3.35Å; L255-L258 WeakPolarHBondContact O-CA 3.42Å; L255-L258 WeakPolarHBondContact O-CB 3.49Å; L255-L258 PolarHBondContact O-N 3.18Å; L255-R259 PolarHBondContact O-N 3.01Å; L255-I265 HydrophobicContact CB-CD1 3.91Å; L255-I265 HydrophobicContact CD1-CG2 4.28Å; L255-I265 HydrophobicContact CD2-CD1 4.03Å; L255-I265 HydrophobicContact CD2-CG2 4.21Å; L255-I265 HydrophobicContact CG-CD1 4.46Å
256D95.3Very high95.8Very high64 Ų6461.2 Ų61.234%0.34231%0.314SS..Hα-helixtrans-40.6-50.9176.4-108.858.6000114.1E252 L258 R259 K260E252-D256 WeakPolarHBondContact CG-OD1 3.24Å; E252-D256 PolarHBondContact O-N 3.14Å; D256-L258 VanDerWaalsContact C-N 3.3Å; D256-L258 PolarHBondContact O-N 2.83Å; D256-R259 PolarHBondContact O-N 3.12Å; D256-K260 WeakPolarHBondContact O-CG 3.2Å; D256-K260 PolarHBondContact O-N 3Å; D256-K260 IonicContact OD2-NZ 2.83Å
257P96.4Very high95.7Very high55 Ų5557.6 Ų57.636%0.35730%0.301SS..Hα-helixtrans-64.1-34.1-180-21.834.8000113.3A233 S254 L255 R261A233-P257 HydrophobicContact CB-CB 4.07Å; S254-P257 WeakPolarHBondContact O-CD 3.4Å; L255-P257 VanDerWaalsContact C-CD 3.44Å; L255-P257 VanDerWaalsContact C-N 3.35Å; P257-R261 WeakPolarHBondContact O-CG 3.24Å; P257-R261 PolarHBondContact O-N 2.77Å
258L97.3Very high95.2Very high0 Ų065.6 Ų65.60%034%0.337CS..Hα-helixtrans-72.9-41.6177.6-66.6173.1000110.7I229 A233 L239 L242 L255 D256 K260 R261 N262 V263 I265I229-L258 HydrophobicContact CG2-CD1 3.9Å; A233-L258 HydrophobicContact CB-CD2 3.69Å; A233-L258 HydrophobicContact CB-CG 3.85Å; L239-L258 HydrophobicContact CD2-CD2 4.05Å; L242-L258 HydrophobicContact CD2-CD1 3.44Å; L242-L258 VanDerWaalsContact CD2-CD1 3.44Å; L255-L258 WeakPolarHBondContact O-CA 3.42Å; L255-L258 WeakPolarHBondContact O-CB 3.49Å; L255-L258 PolarHBondContact O-N 3.18Å; D256-L258 VanDerWaalsContact C-N 3.3Å; D256-L258 PolarHBondContact O-N 2.83Å; L258-K260 VanDerWaalsContact C-N 3.32Å; L258-K260 PolarHBondContact O-N 3.1Å; L258-R261 CarbonylContact O-C 3.58Å; L258-R261 WeakPolarHBondContact O-CA 3.5Å; L258-R261 WeakPolarHBondContact O-CB 3.36Å; L258-R261 PolarHBondContact O-N 2.95Å; L258-N262 PolarHBondContact O-N 2.9Å; L258-V263 HydrophobicContact CB-CB 4.02Å; L258-V263 HydrophobicContact CB-CG1 4.45Å; L258-V263 HydrophobicContact CB-CG2 4.09Å; L258-V263 HydrophobicContact CD2-CG2 4.15Å; L258-V263 WeakPolarHBondContact O-CB 3.3Å; L258-V263 VanDerWaalsContact O-CG2 3.3Å; L258-V263 WeakPolarHBondContact O-CG2 3.48Å; L258-V263 PolarHBondContact O-N 3.17Å; L258-V263 VanDerWaalsContact O-N 3.11Å; L258-I265 HydrophobicContact CB-CD1 3.96Å
259R95.3Very high94.7Very high57 Ų5762.2 Ų62.222%0.21533%0.328CS..Hα-helixtrans-61.1-40.7174.9-65.5-165-163.9-91.25112.4E252 L255 D256 R261 N262 I265 V267E252-R259 VanDerWaalsContact OE1-CD 3.31Å; E252-R259 WeakPolarHBondContact OE1-CD 3.42Å; E252-R259 IonicContact OE1-CZ 2.87Å; E252-R259 IonicContact OE1-NE 3.85Å; E252-R259 PolarHBondContact OE1-NE 3.21Å; E252-R259 IonicContact OE1-NH2 2.83Å; E252-R259 IonicContact OE2-CZ 2.86Å; E252-R259 IonicContact OE2-NE 2.76Å; E252-R259 PolarHBondContact OE2-NE 2.85Å; E252-R259 IonicContact OE2-NH2 3.24Å; E252-R259 PolarHBondContact OE2-NH2 3.45Å; L255-R259 PolarHBondContact O-N 3.01Å; D256-R259 PolarHBondContact O-N 3.12Å; R259-R261 PolarHBondContact O-N 3.24Å; R259-R261 VanDerWaalsContact O-N 3.14Å; R259-N262 WeakPolarHBondContact O-CA 3.47Å; R259-N262 PolarHBondContact O-N 2.86Å; R259-I265 HydrophobicContact CG-CD1 3.67Å; R259-V267 PolarHBondContact NH1-O 3.44Å; R259-V267 VanDerWaalsContact NH1-O 3.08Å; R259-V267 PolarHBondContact NH2-O 3.46Å
260K95.5Very high93.8Very high159 Ų15962.2 Ų62.269%0.69133%0.332SS*.THydrogen-bonded Turntrans-60-22.2174.5-73.1171.4-175.6169.50113.2D256 L258D256-K260 WeakPolarHBondContact O-CG 3.2Å; D256-K260 PolarHBondContact O-N 3Å; D256-K260 IonicContact OD2-NZ 2.83Å; L258-K260 VanDerWaalsContact C-N 3.32Å; L258-K260 PolarHBondContact O-N 3.1Å
261R96.1Very high92.7Very high84 Ų8465.9 Ų65.932%0.31735%0.351SS..THydrogen-bonded Turntrans-93.29.8174.4-68.617352.1-152.2-20.1113.2A233 C236 P237 P257 L258 R259 V263A233-R261 PolarHBondContact O-NH1 2.76Å; C236-R261 PolarHBondContact O-NH1 2.96Å; C236-R261 VanDerWaalsContact O-NH1 3.16Å; C236-R261 PolarHBondContact O-NH2 3.37Å; P237-R261 PolarHBondContact O-NH2 3.36Å; P257-R261 WeakPolarHBondContact O-CG 3.24Å; P257-R261 PolarHBondContact O-N 2.77Å; L258-R261 CarbonylContact O-C 3.58Å; L258-R261 WeakPolarHBondContact O-CA 3.5Å; L258-R261 WeakPolarHBondContact O-CB 3.36Å; L258-R261 PolarHBondContact O-N 2.95Å; R259-R261 PolarHBondContact O-N 3.24Å; R259-R261 VanDerWaalsContact O-N 3.14Å; R261-V263 VanDerWaalsContact C-N 3.26Å; R261-V263 HydrophobicContact CB-CG2 4.24Å; R261-V263 PolarHBondContact O-N 3.14Å
262N96.4Very high91.3Very high148 Ų14866.7 Ų66.779%0.79136%0.357SS*.THydrogen-bonded Turntrans59.930.2-175.5-55.8-48.1000114.1L258 R259L258-N262 PolarHBondContact O-N 2.9Å; R259-N262 WeakPolarHBondContact O-CA 3.47Å; R259-N262 PolarHBondContact O-N 2.86Å
263V97.9Very high89.6Confident8 Ų875.6 Ų75.65%0.04839%0.389CS..  trans-70.6130170.4-178.20000108.9L239 L242 L258 R261 I265L239-V263 HydrophobicContact CD2-CG1 4.43Å; L239-V263 HydrophobicContact CG-CG1 4.31Å; L239-V263 WeakPolarHBondContact O-CG2 3.15Å; L242-V263 HydrophobicContact CB-CG1 4.17Å; L258-V263 HydrophobicContact CB-CB 4.02Å; L258-V263 HydrophobicContact CB-CG1 4.45Å; L258-V263 HydrophobicContact CB-CG2 4.09Å; L258-V263 HydrophobicContact CD2-CG2 4.15Å; L258-V263 WeakPolarHBondContact O-CB 3.3Å; L258-V263 VanDerWaalsContact O-CG2 3.3Å; L258-V263 WeakPolarHBondContact O-CG2 3.48Å; L258-V263 PolarHBondContact O-N 3.17Å; L258-V263 VanDerWaalsContact O-N 3.11Å; R261-V263 VanDerWaalsContact C-N 3.26Å; R261-V263 HydrophobicContact CB-CG2 4.24Å; R261-V263 PolarHBondContact O-N 3.14Å; V263-I265 HydrophobicContact CG1-CG1 4.25Å; V263-I265 PolarHBondContact O-N 3.13Å
264V97.9Very high87.7Confident99 Ų9975.6 Ų75.660%0.639%0.393SS*.EExtended strand (participates in β ladder)trans-73.5116.4174.2-179.50000108.8Q240 S241 L242Q240-V264 PolarHBondContact O-N 3.03Å; S241-V264 WeakPolarHBondContact CA-O 3.46Å; L242-V264 PolarHBondContact N-O 3.2Å
265I97.8Very high85.9Confident19 Ų1979.8 Ų79.810%0.09742%0.415CS..EExtended strand (participates in β ladder)trans-118.4132.3179.4-52.7177.3000108.6L242 V244 L255 L258 R259 V263 V267L242-I265 HydrophobicContact CB-CG1 4.49Å; L242-I265 WeakPolarHBondContact O-CA 3.45Å; V244-I265 HydrophobicContact CG2-CG2 4.03Å; L255-I265 HydrophobicContact CB-CD1 3.91Å; L255-I265 HydrophobicContact CD1-CG2 4.28Å; L255-I265 HydrophobicContact CD2-CD1 4.03Å; L255-I265 HydrophobicContact CD2-CG2 4.21Å; L255-I265 HydrophobicContact CG-CD1 4.46Å; L258-I265 HydrophobicContact CB-CD1 3.96Å; R259-I265 HydrophobicContact CG-CD1 3.67Å; V263-I265 HydrophobicContact CG1-CG1 4.25Å; V263-I265 PolarHBondContact O-N 3.13Å; I265-V267 HydrophobicContact CG2-CB 4.46Å; I265-V267 PolarHBondContact O-N 2.89Å
266D95.9Very high84.1Confident48 Ų4882.1 Ų82.126%0.25743%0.43SS..SBendtrans-80.77.2-173.969.9-26.9000114.7R243 V244 N245R243-D266 VanDerWaalsContact CA-CG 3.48Å; R243-D266 VanDerWaalsContact CA-OD1 3.27Å; R243-D266 WeakPolarHBondContact CA-OD1 3.2Å; R243-D266 HydrophobicContact CB-CB 4.43Å; R243-D266 WeakPolarHBondContact CB-OD2 3.37Å; R243-D266 HydrophobicContact CG-CB 4.23Å; V244-D266 PolarHBondContact N-OD1 3.26Å; V244-D266 PolarHBondContact N-OD2 3.5Å; N245-D266 WeakPolarHBondContact CB-OD2 3.21Å; N245-D266 PolarHBondContact N-OD1 3.43Å; N245-D266 PolarHBondContact N-OD2 2.88Å; N245-D266 VanDerWaalsContact N-OD2 3.16Å; N245-D266 WeakPolarHBondContact ND2-CB 3.32Å; N245-D266 PolarHBondContact ND2-O 2.82Å; N245-D266 PolarHBondContact ND2-OD2 3.38Å; N245-D266 PolarHBondContact OD1-O 3.5Å
267V92.8Very high82.2Confident47 Ų4784.1 Ų84.129%0.28544%0.44SS..SBendtrans-112.8131.6173.9-177.90000108.5V244 R259 I265V244-V267 HydrophobicContact CG2-CG2 3.92Å; R259-V267 PolarHBondContact NH1-O 3.44Å; R259-V267 VanDerWaalsContact NH1-O 3.08Å; R259-V267 PolarHBondContact NH2-O 3.46Å; I265-V267 HydrophobicContact CG2-CB 4.46Å; I265-V267 PolarHBondContact O-N 2.89Å
268E85.2Confident80.3Confident174 Ų17486.1 Ų86.181%0.81345%0.447SS*.PPolyproline II helixtrans-68141.3175.9-67.6-173.6171.300111.2
269P81.8Confident78.3Confident73 Ų7392 Ų9247%0.47448%0.475SS..PPolyproline II helixtrans-64.8145.8173.128.7-32.8000109.7L271P269-L271 PolarHBondContact O-N 2.89Å
270P76.4Confident76.3Confident85 Ų8594.9 Ų94.955%0.55249%0.494SS*.PPolyproline II helixtrans-56.9134.1172.824.8-31.7000109.2E252E252-P270 HydrophobicContact CB-CG 3.86Å; E252-P270 HydrophobicContact CG-CG 3.77Å
271L71.9Confident74.3Confident98 Ų9895.2 Ų95.251%0.51350%0.5SS..PPolyproline II helixtrans-50.6132.9176.8-72.5167.1000109.4P269 R273 V276P269-L271 PolarHBondContact O-N 2.89Å; L271-R273 PolarHBondContact O-N 3.31Å; L271-V276 HydrophobicContact CB-CG2 3.61Å; L271-V276 HydrophobicContact CD1-CG2 4.41Å
272P66Low72.4Confident78 Ų7897.7 Ų97.751%0.50652%0.519SS..PPolyproline II helixtrans-46.2131.1172.2-28.431.2000110A274 L275 V276P272-A274 PolarHBondContact O-N 3.19Å; P272-L275 HydrophobicContact CB-CD1 4.36Å; P272-L275 HydrophobicContact CB-CG 4.4Å; P272-L275 HydrophobicContact CG-CD1 3.93Å; P272-L275 HydrophobicContact CG-CG 4.5Å; P272-L275 WeakPolarHBondContact O-CA 3.17Å; P272-L275 WeakPolarHBondContact O-CB 3.01Å; P272-L275 PolarHBondContact O-N 3.26Å; P272-V276 PolarHBondContact O-N 3.21Å; P272-V276 VanDerWaalsContact O-N 3.14Å
273R57.7Low70.2Confident222 Ų22292.6 Ų92.684%0.83850%0.501SS*.Hα-helixtrans-50.2-30.6178.8-78.4-178.9169.9177.1-3.7112.7L271 L277L271-R273 PolarHBondContact O-N 3.31Å; R273-L277 VanDerWaalsContact O-CB 3.32Å; R273-L277 WeakPolarHBondContact O-CB 3.3Å; R273-L277 WeakPolarHBondContact O-CG 3.21Å; R273-L277 PolarHBondContact O-N 3.3Å
274A54.9Low67.9Low65 Ų65102 Ų10254%0.53754%0.542SS..Hα-helixtrans-64-38.5173.600000113.5P272 L278P272-A274 PolarHBondContact O-N 3.19Å; A274-L278 WeakPolarHBondContact O-CB 3.21Å; A274-L278 WeakPolarHBondContact O-CD1 3.25Å; A274-L278 WeakPolarHBondContact O-CG 3.47Å; A274-L278 PolarHBondContact O-N 2.61Å
275L57.5Low65.2Low88 Ų88101.9 Ų101.946%0.46155%0.551SS.*Hα-helixtrans-74.6-35.6176.5-73.3174.6000112.2P272 L278 Q279P272-L275 HydrophobicContact CB-CD1 4.36Å; P272-L275 HydrophobicContact CB-CG 4.4Å; P272-L275 HydrophobicContact CG-CD1 3.93Å; P272-L275 HydrophobicContact CG-CG 4.5Å; P272-L275 WeakPolarHBondContact O-CA 3.17Å; P272-L275 WeakPolarHBondContact O-CB 3.01Å; P272-L275 PolarHBondContact O-N 3.26Å; L275-L278 HydrophobicContact CD2-CD1 4.37Å; L275-L278 PolarHBondContact O-N 2.88Å; L275-Q279 PolarHBondContact O-N 3.38Å
276V60.3Low62.6Low54 Ų54105.8 Ų105.833%0.32758%0.578SS.*Hα-helixtrans-65.4-47172.9-179.80000110.6L271 P272 L278 Q279 D280L271-V276 HydrophobicContact CB-CG2 3.61Å; L271-V276 HydrophobicContact CD1-CG2 4.41Å; P272-V276 PolarHBondContact O-N 3.21Å; P272-V276 VanDerWaalsContact O-N 3.14Å; V276-L278 VanDerWaalsContact C-N 3.29Å; V276-L278 PolarHBondContact O-N 2.77Å; V276-Q279 PolarHBondContact O-N 2.92Å; V276-Q279 VanDerWaalsContact O-N 3.13Å; V276-D280 PolarHBondContact O-N 2.77Å
277L55.5Low60.1Low105 Ų105113.7 Ų113.755%0.5561%0.61SS.*Hα-helixtrans-62.8-34.2174.5-72.6168.3000112.1R273 D280 M281R273-L277 VanDerWaalsContact O-CB 3.32Å; R273-L277 WeakPolarHBondContact O-CB 3.3Å; R273-L277 WeakPolarHBondContact O-CG 3.21Å; R273-L277 PolarHBondContact O-N 3.3Å; L277-D280 PolarHBondContact O-N 3.21Å; L277-M281 WeakPolarHBondContact O-CB 3.25Å; L277-M281 WeakPolarHBondContact O-CG 3.34Å; L277-M281 PolarHBondContact O-N 3.3Å
278L55.7Low57.5Low97 Ų97118.4 Ų118.451%0.50863%0.632SS.*Hα-helixtrans-68.9-38172.8-78.2165.8000112.2A274 L275 V276 M281 L282A274-L278 WeakPolarHBondContact O-CB 3.21Å; A274-L278 WeakPolarHBondContact O-CD1 3.25Å; A274-L278 WeakPolarHBondContact O-CG 3.47Å; A274-L278 PolarHBondContact O-N 2.61Å; L275-L278 HydrophobicContact CD2-CD1 4.37Å; L275-L278 PolarHBondContact O-N 2.88Å; V276-L278 VanDerWaalsContact C-N 3.29Å; V276-L278 PolarHBondContact O-N 2.77Å; L278-M281 PolarHBondContact O-N 3.01Å; L278-L282 WeakPolarHBondContact O-CB 3.34Å; L278-L282 WeakPolarHBondContact O-CD1 3.31Å; L278-L282 WeakPolarHBondContact O-CG 3.48Å; L278-L282 PolarHBondContact O-N 3.5Å
279Q56.8Low55.5Low125 Ų125116.7 Ų116.758%0.58463%0.629SS**Hα-helixtrans-65.7-39172.4-83.8179.3-33.300112.2L275 V276 L282 G283L275-Q279 PolarHBondContact O-N 3.38Å; V276-Q279 PolarHBondContact O-N 2.92Å; V276-Q279 VanDerWaalsContact O-N 3.13Å; Q279-L282 CarbonylContact O-C 3.53Å; Q279-L282 PolarHBondContact O-N 3.19Å; Q279-G283 PolarHBondContact O-N 3.05Å
280D53.6Low53.3Low117 Ų117120.6 Ų120.663%0.62665%0.645SS**Hα-helixtrans-72.3-35.2176.4-69.5-27.3000112V276 L277 G283V276-D280 PolarHBondContact O-N 2.77Å; L277-D280 PolarHBondContact O-N 3.21Å; D280-G283 PolarHBondContact O-N 3.43Å
281M52.8Low51.7Low166 Ų166124.4 Ų124.482%0.81866%0.655SS**Hα-helixtrans-73.3-25.7173.1-72.2-73.8-154.200113L277 L278 G283L277-M281 WeakPolarHBondContact O-CB 3.25Å; L277-M281 WeakPolarHBondContact O-CG 3.34Å; L277-M281 PolarHBondContact O-N 3.3Å; L278-M281 PolarHBondContact O-N 3.01Å; M281-G283 VanDerWaalsContact C-N 3.26Å
282L56.1Low50.4Low136 Ų136131.2 Ų131.271%0.71269%0.69SS**THydrogen-bonded Turntrans-91.218.9170.2-69.6168.2000112.1L278 Q279 F284L278-L282 WeakPolarHBondContact O-CB 3.34Å; L278-L282 WeakPolarHBondContact O-CD1 3.31Å; L278-L282 WeakPolarHBondContact O-CG 3.48Å; L278-L282 PolarHBondContact O-N 3.5Å; Q279-L282 CarbonylContact O-C 3.53Å; Q279-L282 PolarHBondContact O-N 3.19Å; L282-F284 PolarHBondContact O-N 3.04Å
283G50.5Low49.6Very low41 Ų41133.9 Ų133.942%0.42370%0.699SS.*  trans-41.4131.5-174.500000113.7Q279 D280 M281Q279-G283 PolarHBondContact O-N 3.05Å; D280-G283 PolarHBondContact O-N 3.43Å; M281-G283 VanDerWaalsContact C-N 3.26Å
284F50.1Low49.1Very low205 Ų205129.3 Ų129.390%0.89969%0.692SS**  trans45.182.6164.1-70.4-91.4000115.8L282 P286L282-F284 PolarHBondContact O-N 3.04Å; F284-P286 VanDerWaalsContact O-CD 3.25Å; F284-P286 WeakPolarHBondContact O-CD 3.34Å
285A40.6Very low48.8Very low96 Ų96132.8 Ų132.879%0.79370%0.7SS**  trans-86.1103.3144.900000107.4F287A285-F287 PolarHBondContact O-N 2.99Å
286P42.2Very low48.3Very low102 Ų102135.5 Ų135.566%0.66271%0.714SS**  trans-62.2139.2167.529.1-31.2000107.2F284 I288F284-P286 VanDerWaalsContact O-CD 3.25Å; F284-P286 WeakPolarHBondContact O-CD 3.34Å; P286-I288 PolarHBondContact O-N 3.33Å
287F44Very low47.6Very low213 Ų213140.6 Ų140.693%0.93474%0.739SS**  trans-32.9102.5173-70.4-96.4000112.4A285 N289A285-F287 PolarHBondContact O-N 2.99Å; F287-N289 PolarHBondContact O-N 2.99Å
288I38.8Very low47Very low146 Ų146142.9 Ų142.975%0.74975%0.751SS**  trans-82.398.8158.3-62.4-178.3000105.4P286 L290P286-I288 PolarHBondContact O-N 3.33Å; I288-L290 HydrophobicContact CG2-CD1 4.26Å; I288-L290 HydrophobicContact CG2-CG 4.02Å; I288-L290 PolarHBondContact O-N 3.26Å; I288-L290 VanDerWaalsContact O-N 3.09Å
289N43.6Very low46.4Very low139 Ų139146.2 Ų146.274%0.74377%0.769SS**  trans-66.296.6168.2-151.73.9000107.5F287 Q291F287-N289 PolarHBondContact O-N 2.99Å; N289-Q291 PolarHBondContact O-N 3.43Å
290L35.3Very low45.6Very low154 Ų154147.8 Ų147.881%0.80678%0.783SS**  trans-9381.2166.6-84.8159.1000108.1I288I288-L290 HydrophobicContact CG2-CD1 4.26Å; I288-L290 HydrophobicContact CG2-CG 4.02Å; I288-L290 PolarHBondContact O-N 3.26Å; I288-L290 VanDerWaalsContact O-N 3.09Å
291Q42.2Very low45Very low166 Ų166150.4 Ų150.478%0.77680%0.796SS**  trans-74115.5142.2-83.2-176.2-37.900106.9N289N289-Q291 PolarHBondContact O-N 3.43Å
292I43.5Very low44.2Very low241 Ų241149 Ų149100%1.23679%0.794SS**  -170.70127.7-82.8148.3000106.2

Retrieved 292 of 292 residues in 144.8 ms (Link to these results)

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