MAK16_SCHMA Loading...

Protein MAK16 homolog

Involved in biogenesis of the 60S ribosomal subunit.

AlphaFold DB , UniProt , Accession P46435, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene MAK16, Length 259 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
1M58.5Low86.8Confident227 Ų22785.6 Ų85.6100%1.11845%0.446SS*.  0119.80-82.4173.6166.800107.7
2N69.6Low87Confident78 Ų7882.1 Ų82.142%0.41743%0.428SS..  trans-83.1128174.9-65.9-22.7000108.6S48 P67N2-S48 WeakPolarHBondContact CB-OG 3.22Å; N2-P67 PolarHBondContact ND2-O 2.82Å
3N85.6Confident87.2Confident102 Ų10286.2 Ų86.255%0.54544%0.443SS..  trans-112.385.3-179.2-97-20.1000110.2D5 V6 I7N3-D5 PolarHBondContact O-N 3.39Å; N3-V6 HydrophobicContact CB-CB 4.06Å; N3-V6 HydrophobicContact CB-CG2 3.87Å; N3-V6 PolarHBondContact O-N 3.21Å; N3-V6 VanDerWaalsContact O-N 3.11Å; N3-I7 WeakPolarHBondContact O-CG1 3.44Å; N3-I7 PolarHBondContact O-N 3.36Å; N3-I7 VanDerWaalsContact O-N 3.1Å
4D92.4Very high87.4Confident38 Ų3884.4 Ų84.420%0.20344%0.443CS..Hα-helixtrans-57-32.4-178.6-69.35.5000112.5I7 W8 A46 N47 S48D4-I7 PolarHBondContact O-N 2.76Å; D4-W8 WeakPolarHBondContact O-CB 3.39Å; D4-W8 PolarHBondContact O-N 3.05Å; D4-A46 WeakPolarHBondContact CA-O 3.34Å; D4-A46 WeakPolarHBondContact CB-O 2.74Å; D4-N47 WeakPolarHBondContact OD2-CA 3.42Å; D4-S48 VanDerWaalsContact CG-N 3.34Å; D4-S48 WeakPolarHBondContact OD1-CB 3.29Å; D4-S48 PolarHBondContact OD1-N 2.91Å; D4-S48 PolarHBondContact OD1-OG 2.79Å; D4-S48 PolarHBondContact OD2-N 2.78Å
5D92.4Very high87.6Confident86 Ų8691.2 Ų91.246%0.4647%0.467SS..Hα-helixtrans-65.4-44.6176.1-81.3-51.2000113.7N3 I7 W8 H9 R40N3-D5 PolarHBondContact O-N 3.39Å; D5-I7 VanDerWaalsContact C-N 3.32Å; D5-W8 PolarHBondContact O-N 3.06Å; D5-H9 WeakPolarHBondContact O-CB 3.42Å; D5-H9 PolarHBondContact O-N 3.42Å; D5-R40 IonicContact OD1-CZ 3.97Å; D5-R40 IonicContact OD1-NE 2.67Å; D5-R40 PolarHBondContact OD1-NE 3.02Å; D5-R40 IonicContact OD1-NH2 2.92Å; D5-R40 PolarHBondContact OD1-NH2 2.8Å; D5-R40 IonicContact OD2-CZ 2.74Å; D5-R40 IonicContact OD2-NH2 3.63Å; D5-R40 PolarHBondContact OD2-NH2 3.3Å
6V92.1Very high88Confident84 Ų8487.1 Ų87.151%0.50945%0.449SS..Hα-helixtrans-67-40.3178.1179.20000109.7N3 H9 T10N3-V6 HydrophobicContact CB-CB 4.06Å; N3-V6 HydrophobicContact CB-CG2 3.87Å; N3-V6 PolarHBondContact O-N 3.21Å; N3-V6 VanDerWaalsContact O-N 3.11Å; V6-H9 PolarHBondContact O-N 3.18Å; V6-T10 WeakPolarHBondContact O-CB 3.5Å; V6-T10 PolarHBondContact O-N 3.38Å; V6-T10 PolarHBondContact O-OG1 2.9Å
7I91.6Very high88.3Confident65 Ų6586.6 Ų86.633%0.33346%0.455SS..Hα-helixtrans-63.4-45.8176.5-60.8167.1000110.1N3 D4 D5 T10 I11 A46N3-I7 WeakPolarHBondContact O-CG1 3.44Å; N3-I7 PolarHBondContact O-N 3.36Å; N3-I7 VanDerWaalsContact O-N 3.1Å; D4-I7 PolarHBondContact O-N 2.76Å; D5-I7 VanDerWaalsContact C-N 3.32Å; I7-T10 PolarHBondContact O-N 2.82Å; I7-I11 HydrophobicContact CG2-CD1 3.61Å; I7-I11 HydrophobicContact CG2-CG1 4.29Å; I7-I11 WeakPolarHBondContact O-CB 3.38Å; I7-I11 VanDerWaalsContact O-CG1 3.26Å; I7-I11 WeakPolarHBondContact O-CG1 3.4Å; I7-I11 PolarHBondContact O-N 3.46Å; I7-A46 HydrophobicContact CG2-CB 4.37Å
8W94.6Very high88.7Confident34 Ų3485.8 Ų85.813%0.12945%0.447CS..Hα-helixtrans-60.9-46.7176.1173.4-111.1000112.2D4 D5 T10 I11 N12 R40 C43 A46D4-W8 WeakPolarHBondContact O-CB 3.39Å; D4-W8 PolarHBondContact O-N 3.05Å; D5-W8 PolarHBondContact O-N 3.06Å; W8-T10 VanDerWaalsContact C-N 3.29Å; W8-T10 PolarHBondContact O-N 3.07Å; W8-I11 PolarHBondContact O-N 3.28Å; W8-N12 HydrophobicContact CD2-CB 4.35Å; W8-N12 HydrophobicContact CH2-CB 4.45Å; W8-N12 HydrophobicContact CZ2-CB 4.07Å; W8-N12 WeakPolarHBondContact O-CB 3.5Å; W8-N12 PolarHBondContact O-N 2.87Å; W8-R40 HydrophobicContact CB-CG 4.25Å; W8-R40 HydrophobicContact CD2-CB 3.87Å; W8-R40 HydrophobicContact CD2-CG 4.18Å; W8-R40 HydrophobicContact CG-CB 3.97Å; W8-R40 HydrophobicContact CG-CG 3.78Å; W8-R40 HydrophobicContact CZ2-CB 4.26Å; W8-C43 HydrophobicContact CE3-CB 3.97Å; W8-C43 HydrophobicContact CZ3-CB 3.72Å; W8-A46 HydrophobicContact CB-CB 3.9Å; W8-A46 HydrophobicContact CE3-CB 3.96Å
9H93.5Very high89Confident117 Ų11783.2 Ų83.254%0.54244%0.435SS..Hα-helixtrans-59.8-44.5179.3-166.173.6000110.7D5 V6 N12 H13D5-H9 WeakPolarHBondContact O-CB 3.42Å; D5-H9 PolarHBondContact O-N 3.42Å; V6-H9 PolarHBondContact O-N 3.18Å; H9-N12 PolarHBondContact O-N 3.26Å; H9-H13 AromaticContact CD2-CD2 3.87Å; H9-H13 AromaticContact CE1-CD2 3.25Å; H9-H13 PolarHBondContact CE1-CD2 3.12Å; H9-H13 AromaticContact CE1-NE2 3.12Å; H9-H13 PolarHBondContact CE1-NE2 3.41Å; H9-H13 AromaticContact CG-CD2 3.83Å; H9-H13 AromaticContact ND1-CD2 3.45Å; H9-H13 PolarHBondContact ND1-CD2 3.05Å; H9-H13 AromaticContact ND1-NE2 3.51Å; H9-H13 AromaticContact NE2-CD2 3.51Å; H9-H13 AromaticContact NE2-NE2 3.78Å; H9-H13 PolarHBondContact O-CD2 2.81Å; H9-H13 PolarHBondContact O-N 3.32Å; H9-H13 VanDerWaalsContact O-N 3.11Å
10T92.5Very high89.3Confident80 Ų8081.1 Ų81.149%0.49143%0.426SS..Hα-helixtrans-58.9-55.5175.1-50.70000110.5V6 I7 W8 N12 H13 S14V6-T10 WeakPolarHBondContact O-CB 3.5Å; V6-T10 PolarHBondContact O-N 3.38Å; V6-T10 PolarHBondContact O-OG1 2.9Å; I7-T10 PolarHBondContact O-N 2.82Å; W8-T10 VanDerWaalsContact C-N 3.29Å; W8-T10 PolarHBondContact O-N 3.07Å; T10-N12 VanDerWaalsContact C-N 3.3Å; T10-N12 PolarHBondContact O-N 2.84Å; T10-H13 PolarHBondContact O-N 3.43Å; T10-S14 WeakPolarHBondContact O-CA 3.41Å; T10-S14 WeakPolarHBondContact O-CB 3.48Å; T10-S14 PolarHBondContact O-N 3.25Å; T10-S14 PolarHBondContact O-OG 2.87Å
11I91.9Very high89.5Confident31 Ų3184.3 Ų84.316%0.15944%0.436CS..Hα-helixtrans-62-34.6-177.2-68.4173000112.9I7 W8 C16 L45 A46I7-I11 HydrophobicContact CG2-CD1 3.61Å; I7-I11 HydrophobicContact CG2-CG1 4.29Å; I7-I11 WeakPolarHBondContact O-CB 3.38Å; I7-I11 VanDerWaalsContact O-CG1 3.26Å; I7-I11 WeakPolarHBondContact O-CG1 3.4Å; I7-I11 PolarHBondContact O-N 3.46Å; W8-I11 PolarHBondContact O-N 3.28Å; I11-C16 HydrophobicContact CG2-CB 3.96Å; I11-L45 HydrophobicContact CD1-CB 3.88Å; I11-A46 HydrophobicContact CD1-CB 4.35Å
12N89.8Confident91.2Very high43 Ų4376.6 Ų76.623%0.2340%0.402CS..Hα-helixtrans-78.3-31.2-176.6-175.947.5000112.7W8 H9 T10 R26W8-N12 HydrophobicContact CD2-CB 4.35Å; W8-N12 HydrophobicContact CH2-CB 4.45Å; W8-N12 HydrophobicContact CZ2-CB 4.07Å; W8-N12 WeakPolarHBondContact O-CB 3.5Å; W8-N12 PolarHBondContact O-N 2.87Å; H9-N12 PolarHBondContact O-N 3.26Å; T10-N12 VanDerWaalsContact C-N 3.3Å; T10-N12 PolarHBondContact O-N 2.84Å; N12-R26 PolarHBondContact OD1-NH1 3.13Å
13H89.4Confident92.4Very high135 Ų13583.6 Ų83.663%0.62543%0.429SS*.Hα-helixtrans-91.9-32.6176.8-73-74.3000113H9 T10H9-H13 AromaticContact CD2-CD2 3.87Å; H9-H13 AromaticContact CE1-CD2 3.25Å; H9-H13 PolarHBondContact CE1-CD2 3.12Å; H9-H13 AromaticContact CE1-NE2 3.12Å; H9-H13 PolarHBondContact CE1-NE2 3.41Å; H9-H13 AromaticContact CG-CD2 3.83Å; H9-H13 AromaticContact ND1-CD2 3.45Å; H9-H13 PolarHBondContact ND1-CD2 3.05Å; H9-H13 AromaticContact ND1-NE2 3.51Å; H9-H13 AromaticContact NE2-CD2 3.51Å; H9-H13 AromaticContact NE2-NE2 3.78Å; H9-H13 PolarHBondContact O-CD2 2.81Å; H9-H13 PolarHBondContact O-N 3.32Å; H9-H13 VanDerWaalsContact O-N 3.11Å; T10-H13 PolarHBondContact O-N 3.43Å
14S90.3Very high92.8Very high62 Ų6285 Ų8543%0.43444%0.441SS..SBendtrans-79174.2174.679.40000111.9T10 C16T10-S14 WeakPolarHBondContact O-CA 3.41Å; T10-S14 WeakPolarHBondContact O-CB 3.48Å; T10-S14 PolarHBondContact O-N 3.25Å; T10-S14 PolarHBondContact O-OG 2.87Å; S14-C16 PolarHBondContact O-N 3.2Å
15F90.2Very high92.8Very high186 Ų18684.5 Ų84.582%0.81645%0.445SS*.  trans-64.8130.1169.3178.2-101.4000110.5
16C94.2Very high92.8Very high25 Ų2586 Ų8617%0.16944%0.444CS..  trans-129.7118.8170.7-179.70000108.9I11 S14 F18 V19I11-C16 HydrophobicContact CG2-CB 3.96Å; S14-C16 PolarHBondContact O-N 3.2Å; C16-F18 PolarHBondContact O-N 3.33Å; C16-V19 HydrophobicContact CB-CB 4.39Å; C16-V19 HydrophobicContact CB-CG2 3.75Å; C16-V19 PolarHBondContact O-N 2.79Å
17S93.2Very high93Very high79 Ų7986.1 Ų86.155%0.55244%0.438SS*.THydrogen-bonded Turntrans-61-28.3-175.156.60000113.9
18F95.4Very high93.3Very high73 Ų7384 Ų8432%0.3243%0.429SS..THydrogen-bonded Turntrans-85.6-15.1-176.4-58.9-70.6000113.6C16 C28 R29 N30 L45C16-F18 PolarHBondContact O-N 3.33Å; F18-C28 CarbonylContact O-C 3.42Å; F18-C28 WeakPolarHBondContact O-CA 3.49Å; F18-R29 PolarHBondContact O-N 3.37Å; F18-N30 HydrophobicContact CB-CB 4.04Å; F18-N30 HydrophobicContact CD1-CB 3.75Å; F18-N30 HydrophobicContact CD2-CB 4.24Å; F18-N30 HydrophobicContact CE1-CB 4.25Å; F18-N30 HydrophobicContact CG-CB 3.74Å; F18-L45 HydrophobicContact CD2-CD1 3.92Å; F18-L45 HydrophobicContact CE2-CD1 4Å
19V94.8Very high93.3Very high36 Ų3691.1 Ų91.122%0.21846%0.456CS..EExtended strand (participates in β ladder)trans-81.2127.5-174.8177.80000110.2C16 K21 F27 C38C16-V19 HydrophobicContact CB-CB 4.39Å; C16-V19 HydrophobicContact CB-CG2 3.75Å; C16-V19 PolarHBondContact O-N 2.79Å; V19-K21 HydrophobicContact CG1-CG 4.11Å; V19-F27 WeakPolarHBondContact CA-O 3.39Å; V19-C38 HydrophobicContact CG1-CB 4.45Å; V19-C38 HydrophobicContact CG2-CB 4.43Å; V19-C38 WeakPolarHBondContact CG2-SG 3.39Å
20V94.4Very high93.4Very high40 Ų4086.4 Ų86.424%0.24243%0.434CS..EExtended strand (participates in β ladder)trans-114.1114.3172.4-178.20000108.1T22 F27 R29V20-T22 HydrophobicContact CG1-CG2 4.25Å; V20-F27 HydrophobicContact CB-CB 4.45Å; V20-F27 PolarHBondContact N-O 2.84Å; V20-F27 PolarHBondContact O-N 3.44Å; V20-R29 HydrophobicContact CG2-CG 3.64Å
21K92.9Very high93.6Very high150 Ų15088.2 Ų88.265%0.65244%0.441SS*.EExtended strand (participates in β ladder)trans-91.7117.4176.2-61.4178.8-177.4173.70108.2V19V19-K21 HydrophobicContact CG1-CG 4.11Å
22T94.7Very high93.8Very high64 Ų6487.7 Ų87.739%0.39344%0.439SS..  trans-108.9169.1170.364.30000109.5V20 T24 G25 F27V20-T22 HydrophobicContact CG1-CG2 4.25Å; T22-T24 PolarHBondContact O-N 2.99Å; T22-T24 PolarHBondContact OG1-OG1 3.44Å; T22-G25 PolarHBondContact N-O 3.28Å; T22-G25 PolarHBondContact O-N 3.34Å; T22-G25 PolarHBondContact OG1-N 3.42Å; T22-G25 PolarHBondContact OG1-O 3.4Å; T22-F27 HydrophobicContact CG2-CD2 4.17Å; T22-F27 HydrophobicContact CG2-CE2 4.38Å
23K94.1Very high94.1Very high226 Ų22685.7 Ų85.798%0.98343%0.428SS*.SBendtrans-58.5-32173.6-64.4-176.7179.6-178.80112.3
24T93.7Very high94.4Very high131 Ų13179.7 Ų79.780%0.80440%0.401SS*.SBendtrans-86.1-27.3-176.6510000114T22T22-T24 PolarHBondContact O-N 2.99Å; T22-T24 PolarHBondContact OG1-OG1 3.44Å
25G92.3Very high94.6Very high28 Ų2878.4 Ų78.429%0.28939%0.391SS..  trans175.6-172.6-175.200000114.9T22T22-G25 PolarHBondContact N-O 3.28Å; T22-G25 PolarHBondContact O-N 3.34Å; T22-G25 PolarHBondContact OG1-N 3.42Å; T22-G25 PolarHBondContact OG1-O 3.4Å
26R94.2Very high94.8Very high117 Ų11770.8 Ų70.844%0.44236%0.364SS..EExtended strand (participates in β ladder)trans-112.7119.7179.4-57.7-176.6-176.2-172.52110.4N12 C38N12-R26 PolarHBondContact OD1-NH1 3.13Å; R26-C38 HydrophobicContact CB-CB 3.86Å; R26-C38 PolarHBondContact O-N 3.04Å
27F96.5Very high94.9Very high87 Ų8773 Ų7338%0.38237%0.374SS..EExtended strand (participates in β ladder)trans-109.8162.7179.3-63.8-83.1000111.2V19 V20 T22 G36 L37V19-F27 WeakPolarHBondContact CA-O 3.39Å; V20-F27 HydrophobicContact CB-CB 4.45Å; V20-F27 PolarHBondContact N-O 2.84Å; V20-F27 PolarHBondContact O-N 3.44Å; T22-F27 HydrophobicContact CG2-CD2 4.17Å; T22-F27 HydrophobicContact CG2-CE2 4.38Å; F27-G36 WeakPolarHBondContact CA-O 3.42Å; F27-L37 HydrophobicContact CD1-CD2 3.69Å; F27-L37 HydrophobicContact CE1-CD2 3.52Å; F27-L37 HydrophobicContact CZ-CD2 4.45Å
28C96.7Very high95Very high20 Ų2069.7 Ų69.714%0.13535%0.351CS..EExtended strand (participates in β ladder)trans-124.6126.8178.4-171.90000109.7F18 N30 N33 G36 C38F18-C28 CarbonylContact O-C 3.42Å; F18-C28 WeakPolarHBondContact O-CA 3.49Å; C28-N30 VanDerWaalsContact C-N 3.34Å; C28-N30 VanDerWaalsContact SG-CB 3.58Å; C28-N33 HydrophobicContact CB-CB 4.41Å; C28-N33 VanDerWaalsContact CB-ND2 3.27Å; C28-N33 WeakPolarHBondContact CB-ND2 3.5Å; C28-G36 PolarHBondContact N-O 3.37Å; C28-C38 HydrophobicContact CB-CB 4.41Å
29R95.7Very high94.9Very high183 Ų18370 Ų7069%0.69136%0.355SS*.  trans-83.4-5.8174.6-72.1179.3175.2171.54.6113.8F18 V20 D31F18-R29 PolarHBondContact O-N 3.37Å; V20-R29 HydrophobicContact CG2-CG 3.64Å; R29-D31 PolarHBondContact O-N 3.24Å
30N95.7Very high94.8Very high18 Ų1872.2 Ų72.210%0.09636%0.36CS..  trans-68.7124-177.7-171.1-21.4000110.4F18 C28 D32 N33F18-N30 HydrophobicContact CB-CB 4.04Å; F18-N30 HydrophobicContact CD1-CB 3.75Å; F18-N30 HydrophobicContact CD2-CB 4.24Å; F18-N30 HydrophobicContact CE1-CB 4.25Å; F18-N30 HydrophobicContact CG-CB 3.74Å; C28-N30 VanDerWaalsContact C-N 3.34Å; C28-N30 VanDerWaalsContact SG-CB 3.58Å; N30-D32 PolarHBondContact O-N 2.72Å; N30-D32 VanDerWaalsContact O-N 3.16Å; N30-D32 WeakPolarHBondContact OD1-CB 3.39Å; N30-D32 PolarHBondContact OD1-N 3.3Å; N30-N33 WeakPolarHBondContact O-CB 3.44Å; N30-N33 PolarHBondContact O-N 2.81Å
31D95.1Very high94.8Very high119 Ų11975.1 Ų75.164%0.63637%0.371SS*.THydrogen-bonded Turntrans-56.2-30.7177.7-65.9-18.1000113.2R29 N33 R111R29-D31 PolarHBondContact O-N 3.24Å; D31-N33 VanDerWaalsContact C-N 3.28Å; D31-N33 PolarHBondContact O-N 2.95Å; D31-R111 VanDerWaalsContact O-CZ 3.23Å; D31-R111 PolarHBondContact O-NH1 3.44Å; D31-R111 VanDerWaalsContact O-NH1 3.13Å; D31-R111 PolarHBondContact O-NH2 3.36Å
32D96Very high94.9Very high19 Ų1968.1 Ų68.110%0.10234%0.34CS..THydrogen-bonded Turntrans-69.9-22.2178.1-75.7-59.7000113.2N30 V34 P44 T52 K54 W77N30-D32 PolarHBondContact O-N 2.72Å; N30-D32 VanDerWaalsContact O-N 3.16Å; N30-D32 WeakPolarHBondContact OD1-CB 3.39Å; N30-D32 PolarHBondContact OD1-N 3.3Å; D32-V34 PolarHBondContact O-N 2.9Å; D32-P44 HydrophobicContact CB-CB 3.74Å; D32-P44 HydrophobicContact CB-CG 3.73Å; D32-T52 HydrophobicContact CB-CG2 4.12Å; D32-T52 WeakPolarHBondContact O-CB 3.4Å; D32-T52 WeakPolarHBondContact O-CG2 3.31Å; D32-T52 PolarHBondContact OD1-OG1 2.98Å; D32-K54 VanDerWaalsContact CG-CE 3.46Å; D32-K54 WeakPolarHBondContact OD1-CE 3.36Å; D32-K54 IonicContact OD1-NZ 3.48Å; D32-K54 PolarHBondContact OD1-NZ 3.34Å; D32-K54 IonicContact OD2-NZ 3.65Å; D32-K54 PolarHBondContact OD2-NZ 3.47Å; D32-W77 HydrophobicContact CB-CH2 4.33Å; D32-W77 HydrophobicContact CB-CZ2 4.31Å
33N96.5Very high94.9Very high2 Ų265.5 Ų65.51%0.01133%0.325CS..  trans-69.7120.5-174.9-175.3-35.5000111.9C28 N30 D31 T35 G36 L37 S42 P44 R111C28-N33 HydrophobicContact CB-CB 4.41Å; C28-N33 VanDerWaalsContact CB-ND2 3.27Å; C28-N33 WeakPolarHBondContact CB-ND2 3.5Å; N30-N33 WeakPolarHBondContact O-CB 3.44Å; N30-N33 PolarHBondContact O-N 2.81Å; D31-N33 VanDerWaalsContact C-N 3.28Å; D31-N33 PolarHBondContact O-N 2.95Å; N33-T35 VanDerWaalsContact C-N 3.32Å; N33-T35 PolarHBondContact O-N 3.44Å; N33-T35 PolarHBondContact OD1-N 3.14Å; N33-T35 PolarHBondContact OD1-OG1 3.13Å; N33-T35 VanDerWaalsContact OD1-OG1 3.12Å; N33-G36 PolarHBondContact OD1-N 2.7Å; N33-L37 PolarHBondContact ND2-O 2.77Å; N33-S42 VanDerWaalsContact CG-O 3.28Å; N33-S42 PolarHBondContact ND2-O 3.05Å; N33-S42 PolarHBondContact OD1-O 2.91Å; N33-P44 HydrophobicContact CB-CG 4.43Å; N33-R111 PolarHBondContact O-NH1 3.3Å
34V95.8Very high94.9Very high8 Ų854.8 Ų54.85%0.04828%0.278CS..SBendtrans-67.8-28.3-173.7-170.10000113.7D32 Y50 A51 T52 I104 R107 V108 R111D32-V34 PolarHBondContact O-N 2.9Å; V34-Y50 HydrophobicContact CG2-CE1 3.9Å; V34-Y50 PolarHBondContact N-OH 2.86Å; V34-A51 VanDerWaalsContact CG2-O 3.23Å; V34-A51 WeakPolarHBondContact CG2-O 3.36Å; V34-T52 HydrophobicContact CG2-CG2 4.21Å; V34-I104 HydrophobicContact CG2-CD1 4.03Å; V34-R107 HydrophobicContact CB-CB 4.18Å; V34-R107 HydrophobicContact CG1-CB 3.48Å; V34-R107 VanDerWaalsContact CG1-CB 3.48Å; V34-R107 WeakPolarHBondContact CG1-O 3.47Å; V34-V108 HydrophobicContact CG1-CG2 4.43Å; V34-V108 HydrophobicContact CG2-CG2 4.25Å; V34-R111 HydrophobicContact CG1-CB 3.81Å
35T94.8Very high94.9Very high36 Ų3652 Ų5222%0.22126%0.258CS..SBendtrans-102.8-30.4-176.461.90000113.8N33 L37 S42 W103 R107N33-T35 VanDerWaalsContact C-N 3.32Å; N33-T35 PolarHBondContact O-N 3.44Å; N33-T35 PolarHBondContact OD1-N 3.14Å; N33-T35 PolarHBondContact OD1-OG1 3.13Å; N33-T35 VanDerWaalsContact OD1-OG1 3.12Å; T35-L37 VanDerWaalsContact C-N 3.31Å; T35-L37 PolarHBondContact OG1-N 3.04Å; T35-S42 WeakPolarHBondContact OG1-CB 3.48Å; T35-S42 PolarHBondContact OG1-OG 2.77Å; T35-S42 VanDerWaalsContact OG1-OG 3.1Å; T35-W103 HydrophobicContact CG2-CH2 3.93Å; T35-W103 HydrophobicContact CG2-CZ2 3.79Å; T35-R107 HydrophobicContact CG2-CG 4.05Å
36G94.8Very high94.9Very high25 Ų2550.6 Ų50.626%0.25824%0.244SC..SBendtrans83.71.8-169.500000114.1F27 C28 N33F27-G36 WeakPolarHBondContact CA-O 3.42Å; C28-G36 PolarHBondContact N-O 3.37Å; N33-G36 PolarHBondContact OD1-N 2.7Å
37L95Very high94.9Very high71 Ų7146 Ų4637%0.37223%0.228SC..BIsolated β-bridgetrans-96.8144.8176.2-61.9175.9000110.9F27 N33 T35 N39 S42F27-L37 HydrophobicContact CD1-CD2 3.69Å; F27-L37 HydrophobicContact CE1-CD2 3.52Å; F27-L37 HydrophobicContact CZ-CD2 4.45Å; N33-L37 PolarHBondContact ND2-O 2.77Å; T35-L37 VanDerWaalsContact C-N 3.31Å; T35-L37 PolarHBondContact OG1-N 3.04Å; L37-N39 PolarHBondContact O-N 3.42Å; L37-S42 WeakPolarHBondContact O-CB 3.33Å
38C95.3Very high94.7Very high10 Ų1042.2 Ų42.27%0.06821%0.212CC..  trans-89.882.4176.4-178.60000110.9V19 R26 C28V19-C38 HydrophobicContact CG1-CB 4.45Å; V19-C38 HydrophobicContact CG2-CB 4.43Å; V19-C38 WeakPolarHBondContact CG2-SG 3.39Å; R26-C38 HydrophobicContact CB-CB 3.86Å; R26-C38 PolarHBondContact O-N 3.04Å; C28-C38 HydrophobicContact CB-CB 4.41Å
39N93.7Very high94.6Very high79 Ų7945.7 Ų45.742%0.42223%0.227SC..  trans-124.1157.6175.9-63.5-27.6000110.6L37 H41 S42 C43L37-N39 PolarHBondContact O-N 3.42Å; N39-H41 VanDerWaalsContact C-N 3.35Å; N39-H41 PolarHBondContact O-N 3.1Å; N39-S42 PolarHBondContact O-N 2.61Å; N39-C43 PolarHBondContact O-N 3.28Å
40R93.1Very high94.6Very high84 Ų8437.2 Ų37.232%0.31720%0.195SC..G310 helixtrans-48.4-54.4175-178.6178.9171.9-96.43.4111.9D5 W8 S42 C43 N47D5-R40 IonicContact OD1-CZ 3.97Å; D5-R40 IonicContact OD1-NE 2.67Å; D5-R40 PolarHBondContact OD1-NE 3.02Å; D5-R40 IonicContact OD1-NH2 2.92Å; D5-R40 PolarHBondContact OD1-NH2 2.8Å; D5-R40 IonicContact OD2-CZ 2.74Å; D5-R40 IonicContact OD2-NH2 3.63Å; D5-R40 PolarHBondContact OD2-NH2 3.3Å; W8-R40 HydrophobicContact CB-CG 4.25Å; W8-R40 HydrophobicContact CD2-CB 3.87Å; W8-R40 HydrophobicContact CD2-CG 4.18Å; W8-R40 HydrophobicContact CG-CB 3.97Å; W8-R40 HydrophobicContact CG-CG 3.78Å; W8-R40 HydrophobicContact CZ2-CB 4.26Å; R40-S42 VanDerWaalsContact C-N 3.31Å; R40-S42 PolarHBondContact O-N 3.1Å; R40-C43 PolarHBondContact O-N 2.8Å; R40-N47 PolarHBondContact O-ND2 3.35Å
41H93.4Very high94.7Very high101 Ų10136.3 Ų36.347%0.46819%0.19SC..G310 helixtrans-68.8-25.5180-61.8-67000114.2N39 W103N39-H41 VanDerWaalsContact C-N 3.35Å; N39-H41 PolarHBondContact O-N 3.1Å; H41-W103 HydrophobicContact CB-CH2 4.44Å; H41-W103 HydrophobicContact CB-CZ3 4.38Å; H41-W103 WeakPolarHBondContact O-CZ3 3.46Å
42S94.9Very high94.8Very high2 Ų230.7 Ų30.71%0.01416%0.16CC..G310 helixtrans-89.2-15.3-178-59.90000113.3N33 T35 L37 N39 R40 P44 Y50 W103N33-S42 VanDerWaalsContact CG-O 3.28Å; N33-S42 PolarHBondContact ND2-O 3.05Å; N33-S42 PolarHBondContact OD1-O 2.91Å; T35-S42 WeakPolarHBondContact OG1-CB 3.48Å; T35-S42 PolarHBondContact OG1-OG 2.77Å; T35-S42 VanDerWaalsContact OG1-OG 3.1Å; L37-S42 WeakPolarHBondContact O-CB 3.33Å; N39-S42 PolarHBondContact O-N 2.61Å; R40-S42 VanDerWaalsContact C-N 3.31Å; R40-S42 PolarHBondContact O-N 3.1Å; S42-P44 VanDerWaalsContact O-CD 3.29Å; S42-P44 WeakPolarHBondContact O-CD 3.45Å; S42-Y50 PolarHBondContact O-OH 2.98Å; S42-W103 VanDerWaalsContact OG-CH2 3.26Å; S42-W103 WeakPolarHBondContact OG-CH2 3.49Å; S42-W103 WeakPolarHBondContact OG-CZ2 3.33Å
43C95.2Very high94.9Very high9 Ų929.8 Ų29.86%0.06116%0.155CC..  trans-76.7116.4-174.4-1730000112.1W8 N39 R40 L45 A46 N47W8-C43 HydrophobicContact CE3-CB 3.97Å; W8-C43 HydrophobicContact CZ3-CB 3.72Å; N39-C43 PolarHBondContact O-N 3.28Å; R40-C43 PolarHBondContact O-N 2.8Å; C43-L45 VanDerWaalsContact C-N 3.26Å; C43-L45 PolarHBondContact O-N 3.26Å; C43-A46 HydrophobicContact CB-CB 3.96Å; C43-N47 PolarHBondContact O-N 3.11Å; C43-N47 PolarHBondContact O-ND2 3.14Å
44P95Very high94.9Very high1 Ų131.4 Ų31.41%0.00616%0.162CC..THydrogen-bonded Turntrans-70.1-22177.728.2-35.4000113.4D32 N33 S42 Y50 K65 W77D32-P44 HydrophobicContact CB-CB 3.74Å; D32-P44 HydrophobicContact CB-CG 3.73Å; N33-P44 HydrophobicContact CB-CG 4.43Å; S42-P44 VanDerWaalsContact O-CD 3.29Å; S42-P44 WeakPolarHBondContact O-CD 3.45Å; P44-Y50 HydrophobicContact CB-CD1 3.67Å; P44-Y50 HydrophobicContact CB-CE1 3.66Å; P44-Y50 HydrophobicContact CB-CG 4.38Å; P44-K65 PolarHBondContact O-NZ 3.46Å; P44-W77 HydrophobicContact CB-CH2 4.39Å
45L92.3Very high94.9Very high72 Ų7233.8 Ų33.838%0.37717%0.172SC..THydrogen-bonded Turntrans-80.2-40.9-179.3-61.1177.7000111.7I11 F18 C43I11-L45 HydrophobicContact CD1-CB 3.88Å; F18-L45 HydrophobicContact CD2-CD1 3.92Å; F18-L45 HydrophobicContact CE2-CD1 4Å; C43-L45 VanDerWaalsContact C-N 3.26Å; C43-L45 PolarHBondContact O-N 3.26Å
46A93.4Very high94.9Very high0 Ų038.2 Ų38.20%019%0.185CC..THydrogen-bonded Turntrans-75.8-32.5-178.100000113.3D4 I7 W8 I11 C43D4-A46 WeakPolarHBondContact CA-O 3.34Å; D4-A46 WeakPolarHBondContact CB-O 2.74Å; I7-A46 HydrophobicContact CG2-CB 4.37Å; W8-A46 HydrophobicContact CB-CB 3.9Å; W8-A46 HydrophobicContact CE3-CB 3.96Å; I11-A46 HydrophobicContact CD1-CB 4.35Å; C43-A46 HydrophobicContact CB-CB 3.96Å
47N93.9Very high94.8Very high20 Ų2044.6 Ų44.611%0.10721%0.213CC..  trans-88.6126.7-178.8-63.2-69.6000110.8D4 R40 C43 Y50 K65D4-N47 WeakPolarHBondContact OD2-CA 3.42Å; R40-N47 PolarHBondContact O-ND2 3.35Å; C43-N47 PolarHBondContact O-N 3.11Å; C43-N47 PolarHBondContact O-ND2 3.14Å; N47-Y50 HydrophobicContact CB-CD2 3.9Å; N47-K65 WeakPolarHBondContact O-CE 3.36Å; N47-K65 PolarHBondContact O-NZ 3.47Å
48S92.8Very high94.7Very high7 Ų743.2 Ų43.25%0.04922%0.216CC..SBendtrans-71.8-41.2176.3-73.60000111.8N2 D4 K65 I70N2-S48 WeakPolarHBondContact CB-OG 3.22Å; D4-S48 VanDerWaalsContact CG-N 3.34Å; D4-S48 WeakPolarHBondContact OD1-CB 3.29Å; D4-S48 PolarHBondContact OD1-N 2.91Å; D4-S48 PolarHBondContact OD1-OG 2.79Å; D4-S48 PolarHBondContact OD2-N 2.78Å; S48-K65 WeakPolarHBondContact O-CG 3.38Å; S48-I70 WeakPolarHBondContact OG-CD1 3.46Å
49Q93.6Very high94.7Very high94 Ų9445.2 Ų45.244%0.43923%0.226SC..SBendtrans-97.2105.7173.4-176.3177.60.800108.8K65 W100Q49-K65 WeakPolarHBondContact CA-O 3.44Å; Q49-W100 HydrophobicContact CB-CZ3 4.45Å; Q49-W100 HydrophobicContact CG-CD2 3.91Å; Q49-W100 HydrophobicContact CG-CE3 3.62Å; Q49-W100 HydrophobicContact CG-CH2 3.53Å; Q49-W100 HydrophobicContact CG-CZ2 3.79Å; Q49-W100 HydrophobicContact CG-CZ3 3.43Å; Q49-W100 VanDerWaalsContact CG-CZ3 3.43Å; Q49-W100 VanDerWaalsContact NE2-CD2 3.29Å
50Y96.6Very high94.9Very high4 Ų442.3 Ų42.32%0.01621%0.21CC..EExtended strand (participates in β ladder)trans-145.6151-178-154.6-102.6000112.9V34 S42 P44 N47 T52 K65 W77 W100 I104V34-Y50 HydrophobicContact CG2-CE1 3.9Å; V34-Y50 PolarHBondContact N-OH 2.86Å; S42-Y50 PolarHBondContact O-OH 2.98Å; P44-Y50 HydrophobicContact CB-CD1 3.67Å; P44-Y50 HydrophobicContact CB-CE1 3.66Å; P44-Y50 HydrophobicContact CB-CG 4.38Å; N47-Y50 HydrophobicContact CB-CD2 3.9Å; Y50-T52 HydrophobicContact CD1-CG2 3.42Å; Y50-T52 VanDerWaalsContact CD1-CG2 3.42Å; Y50-T52 HydrophobicContact CE1-CG2 3.39Å; Y50-K65 PolarHBondContact N-O 3.1Å; Y50-K65 VanDerWaalsContact N-O 3.1Å; Y50-K65 WeakPolarHBondContact O-CA 3.48Å; Y50-K65 VanDerWaalsContact O-CB 3.29Å; Y50-K65 WeakPolarHBondContact O-CB 3.34Å; Y50-K65 PolarHBondContact O-N 3.42Å; Y50-W77 HydrophobicContact CD1-CH2 4.08Å; Y50-W100 VanDerWaalsContact N-CZ3 3.3Å; Y50-W100 VanDerWaalsContact O-CH2 3.26Å; Y50-W100 WeakPolarHBondContact O-CH2 3.07Å; Y50-W100 WeakPolarHBondContact O-CZ3 3.34Å; Y50-I104 HydrophobicContact CD2-CD1 4.09Å; Y50-I104 HydrophobicContact CE1-CD1 4.41Å; Y50-I104 HydrophobicContact CE2-CD1 3.66Å
51A97.6Very high95.2Very high0 Ų040.3 Ų40.30%020%0.203CC..EExtended strand (participates in β ladder)trans-140.3137.6-178.800000110.6V34 F63 L97 W100 I104 V108V34-A51 VanDerWaalsContact CG2-O 3.23Å; V34-A51 WeakPolarHBondContact CG2-O 3.36Å; A51-F63 CarbonylContact C-O 3.56Å; A51-F63 VanDerWaalsContact CA-O 3.27Å; A51-F63 WeakPolarHBondContact CA-O 3.41Å; A51-L97 HydrophobicContact CB-CD1 4.12Å; A51-L97 HydrophobicContact CB-CD2 3.69Å; A51-W100 HydrophobicContact CB-CE3 4.22Å; A51-W100 HydrophobicContact CB-CH2 4.3Å; A51-W100 HydrophobicContact CB-CZ3 3.78Å; A51-I104 HydrophobicContact CB-CG1 4.38Å; A51-V108 HydrophobicContact CB-CG2 4.16Å; A51-V108 VanDerWaalsContact O-CG2 3.23Å; A51-V108 WeakPolarHBondContact O-CG2 3.41Å
52T97.5Very high95.4Very high0 Ų035.5 Ų35.50%018%0.181CC..EExtended strand (participates in β ladder)trans-141.7161.7-17279.10000110.5D32 V34 Y50 F63 W77D32-T52 HydrophobicContact CB-CG2 4.12Å; D32-T52 WeakPolarHBondContact O-CB 3.4Å; D32-T52 WeakPolarHBondContact O-CG2 3.31Å; D32-T52 PolarHBondContact OD1-OG1 2.98Å; V34-T52 HydrophobicContact CG2-CG2 4.21Å; Y50-T52 HydrophobicContact CD1-CG2 3.42Å; Y50-T52 VanDerWaalsContact CD1-CG2 3.42Å; Y50-T52 HydrophobicContact CE1-CG2 3.39Å; T52-F63 PolarHBondContact N-O 3.44Å; T52-F63 PolarHBondContact O-N 2.89Å; T52-F63 WeakPolarHBondContact OG1-CB 3.48Å; T52-W77 HydrophobicContact CG2-CH2 3.7Å; T52-W77 HydrophobicContact CG2-CZ3 3.78Å
53I98.1Very high95.5Very high0 Ų036.1 Ų36.10%018%0.183CC..EExtended strand (participates in β ladder)trans-117.1127175.2-70.4177.7000108.5I60 Y61 L62 I93 V108 R111 F112I53-I60 HydrophobicContact CG2-CG2 3.35Å; I53-Y61 WeakPolarHBondContact CA-O 3.4Å; I53-L62 HydrophobicContact CG1-CD1 4.18Å; I53-I93 HydrophobicContact CD1-CD1 4.17Å; I53-V108 HydrophobicContact CD1-CG1 3.66Å; I53-V108 WeakPolarHBondContact CD1-O 3.48Å; I53-V108 HydrophobicContact CG1-CG1 3.91Å; I53-R111 HydrophobicContact CB-CG 4.21Å; I53-R111 PolarHBondContact O-NE 3.34Å; I53-R111 PolarHBondContact O-NH2 3.45Å; I53-F112 VanDerWaalsContact CD1-CA 3.48Å; I53-F112 HydrophobicContact CD1-CB 3.34Å; I53-F112 HydrophobicContact CD1-CD2 4.19Å; I53-F112 HydrophobicContact CD1-CG 4.23Å
54K96.4Very high95.6Very high37 Ų3735.9 Ų35.916%0.16118%0.182CC..EExtended strand (participates in β ladder)trans-129.3143.6176.1-71.9-174.8165.7169.10109.9D32 Y61 F63D32-K54 VanDerWaalsContact CG-CE 3.46Å; D32-K54 WeakPolarHBondContact OD1-CE 3.36Å; D32-K54 IonicContact OD1-NZ 3.48Å; D32-K54 PolarHBondContact OD1-NZ 3.34Å; D32-K54 IonicContact OD2-NZ 3.65Å; D32-K54 PolarHBondContact OD2-NZ 3.47Å; K54-Y61 PolarHBondContact N-O 2.8Å; K54-Y61 VanDerWaalsContact N-O 3.1Å; K54-Y61 PolarHBondContact O-N 3.27Å; K54-F63 HydrophobicContact CB-CD2 3.83Å; K54-F63 HydrophobicContact CB-CE2 3.66Å; K54-F63 HydrophobicContact CB-CZ 4.44Å; K54-F63 HydrophobicContact CD-CD2 4.31Å; K54-F63 HydrophobicContact CD-CE2 4.21Å; K54-F63 HydrophobicContact CD-CZ 4.32Å; K54-F63 HydrophobicContact CG-CD2 4.27Å; K54-F63 HydrophobicContact CG-CE2 4.36Å
55E95.2Very high95.6Very high57 Ų5736 Ų3627%0.26618%0.182SC..EExtended strand (participates in β ladder)trans-95.3139.3171.8-174.7-127.1150.900109G58 I59 T115 Y118 L119E55-G58 VanDerWaalsContact OE1-CA 3.3Å; E55-G58 WeakPolarHBondContact OE1-CA 3.18Å; E55-G58 PolarHBondContact OE1-N 2.74Å; E55-I59 WeakPolarHBondContact CA-O 3.27Å; E55-T115 HydrophobicContact CB-CG2 3.98Å; E55-Y118 WeakPolarHBondContact OE2-CE1 3.37Å; E55-L119 HydrophobicContact CG-CD1 4.3Å; E55-L119 HydrophobicContact CG-CD2 3.99Å; E55-L119 HydrophobicContact CG-CG 4.49Å
56R95.4Very high95.6Very high129 Ų12935.3 Ų35.349%0.48718%0.177SC..EExtended strand (participates in β ladder)trans-137.4120.8168.2-64.3-67.8-174171.6-0.4107G58 I59 Y61R56-G58 VanDerWaalsContact C-N 3.3Å; R56-G58 PolarHBondContact O-N 2.98Å; R56-I59 PolarHBondContact N-O 3.43Å; R56-I59 WeakPolarHBondContact O-CB 3.36Å; R56-I59 PolarHBondContact O-N 3.24Å; R56-Y61 HydrophobicContact CB-CD2 4.14Å; R56-Y61 HydrophobicContact CB-CE2 3.93Å; R56-Y61 HydrophobicContact CG-CD2 4.35Å
57D93.1Very high95.6Very high159 Ų15938 Ų3885%0.8519%0.194SC*.THydrogen-bonded Turntrans51.844.2176.6-46.6-48.1000113.3I59D57-I59 PolarHBondContact O-N 2.76Å
58G93Very high95.4Very high42 Ų4244.6 Ų44.643%0.43322%0.224SC..THydrogen-bonded Turntrans74-0.8-178.400000115.4E55 R56E55-G58 VanDerWaalsContact OE1-CA 3.3Å; E55-G58 WeakPolarHBondContact OE1-CA 3.18Å; E55-G58 PolarHBondContact OE1-N 2.74Å; R56-G58 VanDerWaalsContact C-N 3.3Å; R56-G58 PolarHBondContact O-N 2.98Å
59I95.7Very high95.4Very high52 Ų5247.9 Ų47.927%0.26724%0.236SC..EExtended strand (participates in β ladder)trans-101130.7176.5-57.1174.5000109.2E55 R56 D57 Y61 K81E55-I59 WeakPolarHBondContact CA-O 3.27Å; R56-I59 PolarHBondContact N-O 3.43Å; R56-I59 WeakPolarHBondContact O-CB 3.36Å; R56-I59 PolarHBondContact O-N 3.24Å; D57-I59 PolarHBondContact O-N 2.76Å; I59-Y61 HydrophobicContact CB-CD2 4.49Å; I59-Y61 HydrophobicContact CB-CE2 3.75Å; I59-Y61 HydrophobicContact CG2-CD2 4.17Å; I59-Y61 HydrophobicContact CG2-CE2 3.55Å; I59-Y61 WeakPolarHBondContact O-CD2 3.37Å; I59-K81 HydrophobicContact CG2-CD 4.34Å; I59-K81 HydrophobicContact CG2-CG 3.92Å
60I97.7Very high95.2Very high19 Ų1945.3 Ų45.310%0.09723%0.225CC..EExtended strand (participates in β ladder)trans-89.4128.1178.6-51.4179.2000109.2I53 L82 F112 T115 R116 L119I53-I60 HydrophobicContact CG2-CG2 3.35Å; I60-L82 HydrophobicContact CG2-CD1 3.93Å; I60-L82 WeakPolarHBondContact O-CB 3.37Å; I60-L82 PolarHBondContact O-N 2.83Å; I60-F112 HydrophobicContact CD1-CD2 4.29Å; I60-F112 HydrophobicContact CD1-CE2 3.99Å; I60-F112 HydrophobicContact CG2-CD2 4.18Å; I60-F112 HydrophobicContact CG2-CE2 4.41Å; I60-T115 HydrophobicContact CD1-CG2 4.3Å; I60-T115 HydrophobicContact CG1-CG2 4.32Å; I60-R116 HydrophobicContact CD1-CB 4.04Å; I60-L119 HydrophobicContact CD1-CD1 4.01Å; I60-L119 HydrophobicContact CG1-CD1 3.86Å
61Y98.2Very high94.8Very high42 Ų4249.5 Ų49.517%0.16525%0.252CS..EExtended strand (participates in β ladder)trans-115.9141.7175.3-66.6-94.2000110.3I53 K54 R56 I59 I80 K81I53-Y61 WeakPolarHBondContact CA-O 3.4Å; K54-Y61 PolarHBondContact N-O 2.8Å; K54-Y61 VanDerWaalsContact N-O 3.1Å; K54-Y61 PolarHBondContact O-N 3.27Å; R56-Y61 HydrophobicContact CB-CD2 4.14Å; R56-Y61 HydrophobicContact CB-CE2 3.93Å; R56-Y61 HydrophobicContact CG-CD2 4.35Å; I59-Y61 HydrophobicContact CB-CD2 4.49Å; I59-Y61 HydrophobicContact CB-CE2 3.75Å; I59-Y61 HydrophobicContact CG2-CD2 4.17Å; I59-Y61 HydrophobicContact CG2-CE2 3.55Å; I59-Y61 WeakPolarHBondContact O-CD2 3.37Å; Y61-I80 CarbonylContact C-O 3.53Å; Y61-I80 VanDerWaalsContact CA-O 3.3Å; Y61-I80 WeakPolarHBondContact CA-O 3.34Å; Y61-K81 HydrophobicContact CD1-CB 4.03Å; Y61-K81 HydrophobicContact CE1-CB 3.75Å; Y61-K81 HydrophobicContact CE1-CG 4.02Å
62L98.1Very high94.6Very high0 Ų056.8 Ų56.80%028%0.281CS..EExtended strand (participates in β ladder)trans-88.6120.9163.7178.970.2000107.6I53 V64 I80 L82 I93 H96 L97 V108I53-L62 HydrophobicContact CG1-CD1 4.18Å; L62-V64 HydrophobicContact CD2-CG2 3.88Å; L62-V64 HydrophobicContact CG-CG2 3.82Å; L62-I80 HydrophobicContact CB-CB 4.33Å; L62-I80 HydrophobicContact CD2-CD1 4.34Å; L62-I80 PolarHBondContact N-O 3.25Å; L62-I80 PolarHBondContact O-N 3.42Å; L62-L82 HydrophobicContact CB-CD1 4.39Å; L62-L82 HydrophobicContact CB-CD2 4.06Å; L62-L82 HydrophobicContact CB-CG 4.23Å; L62-I93 HydrophobicContact CD2-CG1 4.45Å; L62-H96 HydrophobicContact CD2-CB 4.12Å; L62-L97 HydrophobicContact CD1-CD1 4.48Å; L62-V108 HydrophobicContact CD1-CG1 3.78Å
63F97.7Very high94.2Very high14 Ų1461.9 Ų61.96%0.06131%0.314CS..EExtended strand (participates in β ladder)trans-98.4120.6173.8-83-111.7000107.9A51 T52 K54 W77 E78 R79A51-F63 CarbonylContact C-O 3.56Å; A51-F63 VanDerWaalsContact CA-O 3.27Å; A51-F63 WeakPolarHBondContact CA-O 3.41Å; T52-F63 PolarHBondContact N-O 3.44Å; T52-F63 PolarHBondContact O-N 2.89Å; T52-F63 WeakPolarHBondContact OG1-CB 3.48Å; K54-F63 HydrophobicContact CB-CD2 3.83Å; K54-F63 HydrophobicContact CB-CE2 3.66Å; K54-F63 HydrophobicContact CB-CZ 4.44Å; K54-F63 HydrophobicContact CD-CD2 4.31Å; K54-F63 HydrophobicContact CD-CE2 4.21Å; K54-F63 HydrophobicContact CD-CZ 4.32Å; K54-F63 HydrophobicContact CG-CD2 4.27Å; K54-F63 HydrophobicContact CG-CE2 4.36Å; F63-W77 HydrophobicContact CB-CD2 4.48Å; F63-W77 HydrophobicContact CB-CE3 3.69Å; F63-W77 HydrophobicContact CB-CZ3 4.15Å; F63-W77 HydrophobicContact CD1-CB 3.84Å; F63-W77 HydrophobicContact CD1-CD2 4.4Å; F63-W77 HydrophobicContact CD1-CE3 4.41Å; F63-W77 HydrophobicContact CD1-CG 4.2Å; F63-E78 CarbonylContact C-O 3.57Å; F63-E78 VanDerWaalsContact CA-O 3.29Å; F63-E78 WeakPolarHBondContact CA-O 3.35Å; F63-R79 HydrophobicContact CD1-CG 3.89Å; F63-R79 HydrophobicContact CE1-CG 3.45Å; F63-R79 VanDerWaalsContact CE1-CG 3.45Å; F63-R79 HydrophobicContact CE2-CG 4.17Å; F63-R79 HydrophobicContact CG-CG 4.42Å; F63-R79 HydrophobicContact CZ-CG 3.61Å
64V97Very high93.9Very high5 Ų565.9 Ų65.93%0.0336%0.355CS..EExtended strand (participates in β ladder)trans-115.5128.4-178.5-1760000108.7L62 E66 W77 E78 I80 W100L62-V64 HydrophobicContact CD2-CG2 3.88Å; L62-V64 HydrophobicContact CG-CG2 3.82Å; V64-E66 HydrophobicContact CG1-CG 4.34Å; V64-W77 CarbonylContact O-C 3.55Å; V64-W77 WeakPolarHBondContact O-CA 3.11Å; V64-E78 HydrophobicContact CB-CB 4.47Å; V64-E78 PolarHBondContact N-O 2.84Å; V64-E78 PolarHBondContact O-N 3.25Å; V64-I80 HydrophobicContact CG2-CD1 3.83Å; V64-W100 HydrophobicContact CG1-CH2 3.58Å; V64-W100 HydrophobicContact CG1-CZ2 3.36Å
65K94.7Very high93.7Very high4 Ų471.6 Ų71.62%0.01738%0.38CS..EExtended strand (participates in β ladder)trans-111.6117.9179-177.1-174.2173.4-173.30108.9P44 N47 S48 Q49 Y50 Q76 W77 W100P44-K65 PolarHBondContact O-NZ 3.46Å; N47-K65 WeakPolarHBondContact O-CE 3.36Å; N47-K65 PolarHBondContact O-NZ 3.47Å; S48-K65 WeakPolarHBondContact O-CG 3.38Å; Q49-K65 WeakPolarHBondContact CA-O 3.44Å; Y50-K65 PolarHBondContact N-O 3.1Å; Y50-K65 VanDerWaalsContact N-O 3.1Å; Y50-K65 WeakPolarHBondContact O-CA 3.48Å; Y50-K65 VanDerWaalsContact O-CB 3.29Å; Y50-K65 WeakPolarHBondContact O-CB 3.34Å; Y50-K65 PolarHBondContact O-N 3.42Å; K65-Q76 HydrophobicContact CD-CG 4.13Å; K65-Q76 HydrophobicContact CG-CG 3.84Å; K65-W77 HydrophobicContact CB-CD2 4.13Å; K65-W77 HydrophobicContact CB-CE3 3.67Å; K65-W77 HydrophobicContact CB-CH2 4Å; K65-W77 HydrophobicContact CB-CZ2 4.39Å; K65-W77 HydrophobicContact CB-CZ3 3.62Å; K65-W77 HydrophobicContact CD-CH2 4.18Å; K65-W77 HydrophobicContact CD-CZ2 4.04Å; K65-W100 VanDerWaalsContact O-CH2 3.28Å; K65-W100 WeakPolarHBondContact O-CH2 3.47Å
66E92.8Very high93.6Very high56 Ų5670.8 Ų70.826%0.26238%0.376SS..  trans-107.1146.5-179.2-70.1173.8160.100110.8V64 E68 R69V64-E66 HydrophobicContact CG1-CG 4.34Å; E66-E68 PolarHBondContact O-N 3.5Å; E66-R69 HydrophobicContact CB-CG 4.5Å; E66-R69 PolarHBondContact O-N 3.28Å; E66-R69 VanDerWaalsContact O-N 3.16Å; E66-R69 IonicContact OE2-CZ 3.86Å; E66-R69 VanDerWaalsContact OE2-CZ 3.27Å; E66-R69 IonicContact OE2-NE 3.68Å; E66-R69 PolarHBondContact OE2-NE 3.43Å; E66-R69 IonicContact OE2-NH2 2.75Å; E66-R69 PolarHBondContact OE2-NH2 2.95Å
67P92.1Very high93.6Very high56 Ų5667.3 Ų67.336%0.36436%0.363SS..G310 helixtrans-60.3-29.9-178.624-33.9000113.2N2 R69 I70N2-P67 PolarHBondContact ND2-O 2.82Å; P67-R69 VanDerWaalsContact C-N 3.28Å; P67-R69 PolarHBondContact O-N 2.83Å; P67-I70 PolarHBondContact O-N 2.9Å
68E90.9Very high93.7Very high159 Ų15962.9 Ų62.974%0.74334%0.337SS*.G310 helixtrans-67.4-27.9-178.8-58.8-178.3177.300112.9E66E66-E68 PolarHBondContact O-N 3.5Å
69R92.8Very high93.8Very high77 Ų7767.4 Ų67.429%0.29134%0.341SS..G310 helixtrans-92.4-4.5-175.5-55.5-176-158.4-149.34.1113.7E66 P67 P71 Y72 K75 E78E66-R69 HydrophobicContact CB-CG 4.5Å; E66-R69 PolarHBondContact O-N 3.28Å; E66-R69 VanDerWaalsContact O-N 3.16Å; E66-R69 IonicContact OE2-CZ 3.86Å; E66-R69 VanDerWaalsContact OE2-CZ 3.27Å; E66-R69 IonicContact OE2-NE 3.68Å; E66-R69 PolarHBondContact OE2-NE 3.43Å; E66-R69 IonicContact OE2-NH2 2.75Å; E66-R69 PolarHBondContact OE2-NH2 2.95Å; P67-R69 VanDerWaalsContact C-N 3.28Å; P67-R69 PolarHBondContact O-N 2.83Å; R69-P71 VanDerWaalsContact C-CD 3.47Å; R69-Y72 CarbonylContact O-C 3.59Å; R69-Y72 PolarHBondContact O-N 2.71Å; R69-K75 WeakPolarHBondContact CD-O 3.34Å; R69-E78 IonicContact CZ-OE2 2.78Å; R69-E78 VanDerWaalsContact CZ-OE2 3.32Å; R69-E78 IonicContact NH1-OE2 2.74Å; R69-E78 PolarHBondContact NH1-OE2 3.18Å; R69-E78 IonicContact NH2-OE2 3.32Å; R69-E78 PolarHBondContact NH2-OE2 3.25Å
70I88Confident93.9Very high40 Ų4065.9 Ų65.921%0.20533%0.333CS..THydrogen-bonded Turntrans-60.4-39-175.4-66.9178.2000114.2S48 P67 Y72S48-I70 WeakPolarHBondContact OG-CD1 3.46Å; P67-I70 PolarHBondContact O-N 2.9Å; I70-Y72 PolarHBondContact O-N 3.22Å; I70-Y72 VanDerWaalsContact O-N 3.08Å
71P88.6Confident93.9Very high92 Ų9271 Ų7160%0.59735%0.354SS*.THydrogen-bonded Turntrans-60.6-17.9174.6-23.835.2000113.5R69 P73R69-P71 VanDerWaalsContact C-CD 3.47Å; P71-P73 WeakPolarHBondContact O-CD 3.38Å
72Y93.5Very high93.9Very high153 Ų15369.4 Ų69.460%0.635%0.349SS*.  trans-11283.4-175.5-51.3-74.7000110.5R69 I70 G74 K75 Q76R69-Y72 CarbonylContact O-C 3.59Å; R69-Y72 PolarHBondContact O-N 2.71Å; I70-Y72 PolarHBondContact O-N 3.22Å; I70-Y72 VanDerWaalsContact O-N 3.08Å; Y72-G74 VanDerWaalsContact C-N 3.27Å; Y72-G74 PolarHBondContact O-N 3.05Å; Y72-G74 VanDerWaalsContact O-N 3.14Å; Y72-K75 CarbonylContact O-C 3.54Å; Y72-K75 PolarHBondContact O-N 3.01Å; Y72-Q76 PolarHBondContact O-N 2.8Å
73P89.1Confident93.8Very high107 Ų10776.3 Ų76.370%0.69538%0.375SS*.G310 helixtrans-57.9-34.8-172.820.7-32.8000113.7P71 K75P71-P73 WeakPolarHBondContact O-CD 3.38Å; P73-K75 PolarHBondContact O-N 3.26Å
74G91.7Very high93.7Very high83 Ų8387.4 Ų87.486%0.85642%0.416SS*.G310 helixtrans-68.9-18176.100000114.8Y72Y72-G74 VanDerWaalsContact C-N 3.27Å; Y72-G74 PolarHBondContact O-N 3.05Å; Y72-G74 VanDerWaalsContact O-N 3.14Å
75K92.7Very high93.6Very high158 Ų15890.9 Ų90.969%0.68744%0.435SS*.G310 helixtrans-12113-178.2-61.6-176.8-177.6178.30112.9R69 Y72 P73 W77R69-K75 WeakPolarHBondContact CD-O 3.34Å; Y72-K75 CarbonylContact O-C 3.54Å; Y72-K75 PolarHBondContact O-N 3.01Å; P73-K75 PolarHBondContact O-N 3.26Å; K75-W77 PolarHBondContact O-N 3.42Å
76Q92.4Very high93.7Very high40 Ų4094.2 Ų94.219%0.18745%0.449CS..SBendtrans-59.6-30.5-175.3179.4174.859.500112.9K65 Y72K65-Q76 HydrophobicContact CD-CG 4.13Å; K65-Q76 HydrophobicContact CG-CG 3.84Å; Y72-Q76 PolarHBondContact O-N 2.8Å
77W95.5Very high93.9Very high56 Ų5696 Ų9621%0.21246%0.46CS..EExtended strand (participates in β ladder)trans-112.4125.4-176.8-61.890.6000112.1D32 P44 Y50 T52 F63 V64 K65 K75D32-W77 HydrophobicContact CB-CH2 4.33Å; D32-W77 HydrophobicContact CB-CZ2 4.31Å; P44-W77 HydrophobicContact CB-CH2 4.39Å; Y50-W77 HydrophobicContact CD1-CH2 4.08Å; T52-W77 HydrophobicContact CG2-CH2 3.7Å; T52-W77 HydrophobicContact CG2-CZ3 3.78Å; F63-W77 HydrophobicContact CB-CD2 4.48Å; F63-W77 HydrophobicContact CB-CE3 3.69Å; F63-W77 HydrophobicContact CB-CZ3 4.15Å; F63-W77 HydrophobicContact CD1-CB 3.84Å; F63-W77 HydrophobicContact CD1-CD2 4.4Å; F63-W77 HydrophobicContact CD1-CE3 4.41Å; F63-W77 HydrophobicContact CD1-CG 4.2Å; V64-W77 CarbonylContact O-C 3.55Å; V64-W77 WeakPolarHBondContact O-CA 3.11Å; K65-W77 HydrophobicContact CB-CD2 4.13Å; K65-W77 HydrophobicContact CB-CE3 3.67Å; K65-W77 HydrophobicContact CB-CH2 4Å; K65-W77 HydrophobicContact CB-CZ2 4.39Å; K65-W77 HydrophobicContact CB-CZ3 3.62Å; K65-W77 HydrophobicContact CD-CH2 4.18Å; K65-W77 HydrophobicContact CD-CZ2 4.04Å; K75-W77 PolarHBondContact O-N 3.42Å
78E95.1Very high94.2Very high65 Ų6597.1 Ų97.130%0.30446%0.461SS..EExtended strand (participates in β ladder)trans-82.8135.9163.3-172172.714900110.3F63 V64 R69 I80F63-E78 CarbonylContact C-O 3.57Å; F63-E78 VanDerWaalsContact CA-O 3.29Å; F63-E78 WeakPolarHBondContact CA-O 3.35Å; V64-E78 HydrophobicContact CB-CB 4.47Å; V64-E78 PolarHBondContact N-O 2.84Å; V64-E78 PolarHBondContact O-N 3.25Å; R69-E78 IonicContact CZ-OE2 2.78Å; R69-E78 VanDerWaalsContact CZ-OE2 3.32Å; R69-E78 IonicContact NH1-OE2 2.74Å; R69-E78 PolarHBondContact NH1-OE2 3.18Å; R69-E78 IonicContact NH2-OE2 3.32Å; R69-E78 PolarHBondContact NH2-OE2 3.25Å; E78-I80 HydrophobicContact CG-CG1 4.3Å
79R95.8Very high94.6Very high138 Ų13889.5 Ų89.552%0.52143%0.425SS..EExtended strand (participates in β ladder)trans-110.4110.3-178-65.8176.961.4-174.4-2.1110F63F63-R79 HydrophobicContact CD1-CG 3.89Å; F63-R79 HydrophobicContact CE1-CG 3.45Å; F63-R79 VanDerWaalsContact CE1-CG 3.45Å; F63-R79 HydrophobicContact CE2-CG 4.17Å; F63-R79 HydrophobicContact CG-CG 4.42Å; F63-R79 HydrophobicContact CZ-CG 3.61Å
80I97.3Very high94.8Very high20 Ų2087 Ų8710%0.10342%0.418CS..EExtended strand (participates in β ladder)trans-107.3121.2178.8-60.6157.5000108.8Y61 L62 V64 E78 L82 H96Y61-I80 CarbonylContact C-O 3.53Å; Y61-I80 VanDerWaalsContact CA-O 3.3Å; Y61-I80 WeakPolarHBondContact CA-O 3.34Å; L62-I80 HydrophobicContact CB-CB 4.33Å; L62-I80 HydrophobicContact CD2-CD1 4.34Å; L62-I80 PolarHBondContact N-O 3.25Å; L62-I80 PolarHBondContact O-N 3.42Å; V64-I80 HydrophobicContact CG2-CD1 3.83Å; E78-I80 HydrophobicContact CG-CG1 4.3Å; I80-L82 PolarHBondContact O-N 2.77Å; I80-H96 HydrophobicContact CD1-CB 4.27Å
81K97.7Very high95.3Very high125 Ų12591.6 Ų91.654%0.54344%0.436SS..EExtended strand (participates in β ladder)trans-73121.3176.5-174.1177178.8174.30109.9I59 Y61I59-K81 HydrophobicContact CG2-CD 4.34Å; I59-K81 HydrophobicContact CG2-CG 3.92Å; Y61-K81 HydrophobicContact CD1-CB 4.03Å; Y61-K81 HydrophobicContact CE1-CB 3.75Å; Y61-K81 HydrophobicContact CE1-CG 4.02Å
82L97.8Very high95.7Very high9 Ų988.8 Ų88.85%0.04742%0.415CS..PPolyproline II helixtrans-81.4145.4175.3-63.4178.2000111I60 L62 I80 A89 Q92 I93 F112I60-L82 HydrophobicContact CG2-CD1 3.93Å; I60-L82 WeakPolarHBondContact O-CB 3.37Å; I60-L82 PolarHBondContact O-N 2.83Å; L62-L82 HydrophobicContact CB-CD1 4.39Å; L62-L82 HydrophobicContact CB-CD2 4.06Å; L62-L82 HydrophobicContact CB-CG 4.23Å; I80-L82 PolarHBondContact O-N 2.77Å; L82-A89 HydrophobicContact CB-CB 4.19Å; L82-Q92 HydrophobicContact CD2-CB 4.23Å; L82-I93 HydrophobicContact CD1-CD1 3.9Å; L82-I93 HydrophobicContact CD1-CG1 4.13Å; L82-I93 HydrophobicContact CD2-CD1 4.45Å; L82-I93 HydrophobicContact CD2-CG1 3.83Å; L82-F112 HydrophobicContact CD1-CD2 3.9Å; L82-F112 HydrophobicContact CD1-CE2 3.97Å
83R97.4Very high95.9Very high145 Ų14581.5 Ų81.555%0.54739%0.387SS..PPolyproline II helixtrans-64.9151.5173.9-74.3170.3172.2-119.13.2111N85 Q88R83-N85 VanDerWaalsContact C-N 3.3Å; R83-N85 PolarHBondContact O-N 2.9Å; R83-Q88 HydrophobicContact CB-CB 4.12Å
84R93.9Very high96.3Very high247 Ų24781.9 Ų81.993%0.93238%0.377SS*.SBendtrans-65.5-34177.8-69.2-178.8175.7168.8-1.4112.4K86R84-K86 PolarHBondContact O-N 2.79Å
85N96Very high96.6Very high78 Ų7884.1 Ų84.142%0.41737%0.365SS..SBendtrans-70.9127.8177-174.8-26000110R83 D87 Q88 A89R83-N85 VanDerWaalsContact C-N 3.3Å; R83-N85 PolarHBondContact O-N 2.9Å; N85-D87 VanDerWaalsContact C-N 3.35Å; N85-D87 PolarHBondContact O-N 3.44Å; N85-D87 PolarHBondContact OD1-N 3.42Å; N85-Q88 HydrophobicContact CB-CB 4.18Å; N85-Q88 HydrophobicContact CB-CG 4.07Å; N85-Q88 PolarHBondContact O-N 2.94Å; N85-A89 WeakPolarHBondContact O-CB 3.25Å; N85-A89 PolarHBondContact O-N 3.46Å
86K96.6Very high96.8Very high75 Ų7580.5 Ų80.533%0.32635%0.351SS..Hα-helixtrans-48.3-53.4178.2-174.5-173.4147.6159.50112.6R84 A89 L90 F112 F113 R116R84-K86 PolarHBondContact O-N 2.79Å; K86-A89 PolarHBondContact O-N 2.96Å; K86-L90 HydrophobicContact CG-CD1 4Å; K86-L90 VanDerWaalsContact O-CG 3.29Å; K86-L90 WeakPolarHBondContact O-CG 3.21Å; K86-L90 PolarHBondContact O-N 3.45Å; K86-F112 HydrophobicContact CG-CE1 4.29Å; K86-F113 HydrophobicContact CD-CE1 3.82Å; K86-F113 HydrophobicContact CG-CE1 3.97Å; K86-R116 VanDerWaalsContact CD-NH1 3.3Å
87D97.7Very high97Very high92 Ų9278.6 Ų78.649%0.49234%0.342SS..Hα-helixtrans-77.1-34.8-166.7-58.7-36.5000110.3N85 L90 K91N85-D87 VanDerWaalsContact C-N 3.35Å; N85-D87 PolarHBondContact O-N 3.44Å; N85-D87 PolarHBondContact OD1-N 3.42Å; D87-L90 PolarHBondContact O-N 2.83Å; D87-K91 WeakPolarHBondContact O-CG 3.47Å; D87-K91 PolarHBondContact O-N 2.98Å
88Q97.9Very high96.9Very high80 Ų8081.3 Ų81.337%0.37436%0.36SS..Hα-helixtrans-65.2-42.9171.2-61-178.13.700111.3R83 N85 L90 K91 Q92R83-Q88 HydrophobicContact CB-CB 4.12Å; N85-Q88 HydrophobicContact CB-CB 4.18Å; N85-Q88 HydrophobicContact CB-CG 4.07Å; N85-Q88 PolarHBondContact O-N 2.94Å; Q88-L90 VanDerWaalsContact C-N 3.34Å; Q88-L90 PolarHBondContact O-N 2.73Å; Q88-K91 WeakPolarHBondContact O-CB 3.23Å; Q88-K91 PolarHBondContact O-N 3.15Å; Q88-Q92 WeakPolarHBondContact O-CG 3.44Å; Q88-Q92 PolarHBondContact O-N 3.41Å
89A98.1Very high96.9Very high0 Ų088.1 Ų88.10%038%0.384CS..Hα-helixtrans-62.4-40.2175.100000112.3L82 N85 K86 K91 Q92 I93 F112L82-A89 HydrophobicContact CB-CB 4.19Å; N85-A89 WeakPolarHBondContact O-CB 3.25Å; N85-A89 PolarHBondContact O-N 3.46Å; K86-A89 PolarHBondContact O-N 2.96Å; A89-K91 VanDerWaalsContact C-N 3.34Å; A89-Q92 PolarHBondContact O-N 3.48Å; A89-I93 VanDerWaalsContact O-CG1 3.29Å; A89-I93 WeakPolarHBondContact O-CG1 3.36Å; A89-I93 PolarHBondContact O-N 2.74Å; A89-F112 HydrophobicContact CB-CE1 4.32Å; A89-F112 HydrophobicContact CB-CE2 3.92Å; A89-F112 HydrophobicContact CB-CZ 3.55Å
90L97.8Very high96.9Very high25 Ų2583.2 Ų83.213%0.13137%0.366CS..Hα-helixtrans-66.4-34.9175.7-71.6168.9000112.6K86 D87 Q88 K94 K109 F112 F113K86-L90 HydrophobicContact CG-CD1 4Å; K86-L90 VanDerWaalsContact O-CG 3.29Å; K86-L90 WeakPolarHBondContact O-CG 3.21Å; K86-L90 PolarHBondContact O-N 3.45Å; D87-L90 PolarHBondContact O-N 2.83Å; Q88-L90 VanDerWaalsContact C-N 3.34Å; Q88-L90 PolarHBondContact O-N 2.73Å; L90-K94 VanDerWaalsContact O-CG 3.3Å; L90-K94 WeakPolarHBondContact O-CG 3.43Å; L90-K94 PolarHBondContact O-N 3.21Å; L90-K94 VanDerWaalsContact O-N 3.13Å; L90-K109 HydrophobicContact CD2-CG 4.04Å; L90-F112 HydrophobicContact CD2-CD1 3.98Å; L90-F112 HydrophobicContact CD2-CE1 4.31Å; L90-F112 HydrophobicContact CG-CD1 4.42Å; L90-F112 HydrophobicContact CG-CE1 4.25Å; L90-F113 HydrophobicContact CD1-CE1 4.33Å; L90-F113 HydrophobicContact CD1-CZ 3.7Å; L90-F113 HydrophobicContact CD2-CE2 4.3Å; L90-F113 HydrophobicContact CD2-CZ 4.1Å; L90-F113 HydrophobicContact CG-CZ 4.44Å
91K97.9Very high96.7Very high135 Ų13586.6 Ų86.659%0.58738%0.384SS*.Hα-helixtrans-63.9-49.3171.7-73.5177.4-179-172.40110.7D87 Q88 A89 I93 K94 E95D87-K91 WeakPolarHBondContact O-CG 3.47Å; D87-K91 PolarHBondContact O-N 2.98Å; Q88-K91 WeakPolarHBondContact O-CB 3.23Å; Q88-K91 PolarHBondContact O-N 3.15Å; A89-K91 VanDerWaalsContact C-N 3.34Å; K91-I93 PolarHBondContact O-N 3.37Å; K91-K94 WeakPolarHBondContact O-CB 3.39Å; K91-K94 PolarHBondContact O-N 2.96Å; K91-E95 WeakPolarHBondContact O-CG 3.3Å; K91-E95 PolarHBondContact O-N 3.02Å
92Q97.9Very high96.7Very high34 Ų3489.1 Ų89.116%0.15940%0.395CS..Hα-helixtrans-55.6-46.8175.3-70.4179.7-57.600112.4L82 Q88 A89 K94 E95 H96L82-Q92 HydrophobicContact CD2-CB 4.23Å; Q88-Q92 WeakPolarHBondContact O-CG 3.44Å; Q88-Q92 PolarHBondContact O-N 3.41Å; A89-Q92 PolarHBondContact O-N 3.48Å; Q92-K94 VanDerWaalsContact C-N 3.29Å; Q92-K94 PolarHBondContact O-N 3.44Å; Q92-E95 PolarHBondContact O-N 3.25Å; Q92-H96 PolarHBondContact O-CD2 3.18Å; Q92-H96 PolarHBondContact O-N 2.78Å
93I97.8Very high96.6Very high0 Ų092 Ų920%041%0.405CS..Hα-helixtrans-59.5-40.9177.3-68.9167.1000111I53 L62 L82 A89 K91 L97 V108 F112I53-I93 HydrophobicContact CD1-CD1 4.17Å; L62-I93 HydrophobicContact CD2-CG1 4.45Å; L82-I93 HydrophobicContact CD1-CD1 3.9Å; L82-I93 HydrophobicContact CD1-CG1 4.13Å; L82-I93 HydrophobicContact CD2-CD1 4.45Å; L82-I93 HydrophobicContact CD2-CG1 3.83Å; A89-I93 VanDerWaalsContact O-CG1 3.29Å; A89-I93 WeakPolarHBondContact O-CG1 3.36Å; A89-I93 PolarHBondContact O-N 2.74Å; K91-I93 PolarHBondContact O-N 3.37Å; I93-L97 HydrophobicContact CG2-CD1 3.88Å; I93-L97 VanDerWaalsContact O-CB 3.27Å; I93-L97 WeakPolarHBondContact O-CB 3.41Å; I93-L97 WeakPolarHBondContact O-CG 3.34Å; I93-L97 PolarHBondContact O-N 2.97Å; I93-L97 VanDerWaalsContact O-N 3.12Å; I93-V108 HydrophobicContact CG2-CG1 3.91Å; I93-F112 HydrophobicContact CD1-CB 4.24Å; I93-F112 HydrophobicContact CD1-CD2 4.23Å; I93-F112 HydrophobicContact CD1-CG 4.13Å
94K97.1Very high96.5Very high115 Ų11585.6 Ų85.650%0.538%0.382SS..Hα-helixtrans-68.8-38.4178.4-73.2175.5-177.5-175.80112.3L90 K91 Q92 L97 L98L90-K94 VanDerWaalsContact O-CG 3.3Å; L90-K94 WeakPolarHBondContact O-CG 3.43Å; L90-K94 PolarHBondContact O-N 3.21Å; L90-K94 VanDerWaalsContact O-N 3.13Å; K91-K94 WeakPolarHBondContact O-CB 3.39Å; K91-K94 PolarHBondContact O-N 2.96Å; Q92-K94 VanDerWaalsContact C-N 3.29Å; Q92-K94 PolarHBondContact O-N 3.44Å; K94-L97 CarbonylContact O-C 3.55Å; K94-L98 WeakPolarHBondContact O-CA 3.44Å; K94-L98 PolarHBondContact O-N 3.08Å; K94-L98 VanDerWaalsContact O-N 3.14Å
95E97.4Very high96.7Very high129 Ų12974.9 Ų74.960%0.60334%0.343SS*.Hα-helixtrans-65.3-49.8178.9-72.8161-16500111.1K91 Q92 L97K91-E95 WeakPolarHBondContact O-CG 3.3Å; K91-E95 PolarHBondContact O-N 3.02Å; Q92-E95 PolarHBondContact O-N 3.25Å; E95-L97 VanDerWaalsContact C-N 3.31Å; E95-L97 PolarHBondContact O-N 3.04Å
96H97Very high96.7Very high83 Ų8373.8 Ų73.838%0.38434%0.341SS..Hα-helixtrans-69.2-27.2179.2-72.1-70000113.7L62 I80 Q92L62-H96 HydrophobicContact CD2-CB 4.12Å; I80-H96 HydrophobicContact CD1-CB 4.27Å; Q92-H96 PolarHBondContact O-CD2 3.18Å; Q92-H96 PolarHBondContact O-N 2.78Å
97L96.6Very high96.8Very high0 Ų074.5 Ų74.50%034%0.342CS..THydrogen-bonded Turntrans-107.427.3-179-56178000112.8A51 L62 I93 K94 E95 Y99 W100 I105 V108A51-L97 HydrophobicContact CB-CD1 4.12Å; A51-L97 HydrophobicContact CB-CD2 3.69Å; L62-L97 HydrophobicContact CD1-CD1 4.48Å; I93-L97 HydrophobicContact CG2-CD1 3.88Å; I93-L97 VanDerWaalsContact O-CB 3.27Å; I93-L97 WeakPolarHBondContact O-CB 3.41Å; I93-L97 WeakPolarHBondContact O-CG 3.34Å; I93-L97 PolarHBondContact O-N 2.97Å; I93-L97 VanDerWaalsContact O-N 3.12Å; K94-L97 CarbonylContact O-C 3.55Å; E95-L97 VanDerWaalsContact C-N 3.31Å; E95-L97 PolarHBondContact O-N 3.04Å; L97-Y99 VanDerWaalsContact C-N 3.34Å; L97-Y99 PolarHBondContact O-N 3.28Å; L97-W100 HydrophobicContact CB-CB 4.11Å; L97-W100 HydrophobicContact CB-CG 4.11Å; L97-W100 HydrophobicContact CD2-CD2 3.56Å; L97-W100 HydrophobicContact CD2-CE3 3.88Å; L97-W100 HydrophobicContact CD2-CG 3.86Å; L97-W100 HydrophobicContact CD2-CH2 4.49Å; L97-W100 HydrophobicContact CD2-CZ2 4.26Å; L97-W100 HydrophobicContact CD2-CZ3 4.32Å; L97-W100 WeakPolarHBondContact O-CB 3.49Å; L97-W100 PolarHBondContact O-N 2.85Å; L97-I105 HydrophobicContact CB-CD1 4.42Å; L97-I105 HydrophobicContact CB-CG1 3.86Å; L97-I105 HydrophobicContact CD1-CG1 4.41Å; L97-I105 WeakPolarHBondContact O-CD1 3.4Å; L97-V108 HydrophobicContact CD1-CB 4.43Å; L97-V108 HydrophobicContact CD1-CG1 4.12Å
98L94.2Very high96.7Very high112 Ų11270.1 Ų70.159%0.58632%0.319SS*.THydrogen-bonded Turntrans-59.4-41.5-172.7-175.763.4000113.3K94K94-L98 WeakPolarHBondContact O-CA 3.44Å; K94-L98 PolarHBondContact O-N 3.08Å; K94-L98 VanDerWaalsContact O-N 3.14Å
99Y95Very high96.7Very high208 Ų20868.9 Ų68.982%0.81631%0.312SS*.THydrogen-bonded Turntrans-98.614.7-176.9-54.1-64.3000113.9L97L97-Y99 VanDerWaalsContact C-N 3.34Å; L97-Y99 PolarHBondContact O-N 3.28Å
100W95.1Very high96.7Very high35 Ų3572.8 Ų72.813%0.13333%0.33CS..SBendtrans-94.4164-176.9-70.255.4000110.7Q49 Y50 A51 V64 K65 L97 K102 I104 I105Q49-W100 HydrophobicContact CB-CZ3 4.45Å; Q49-W100 HydrophobicContact CG-CD2 3.91Å; Q49-W100 HydrophobicContact CG-CE3 3.62Å; Q49-W100 HydrophobicContact CG-CH2 3.53Å; Q49-W100 HydrophobicContact CG-CZ2 3.79Å; Q49-W100 HydrophobicContact CG-CZ3 3.43Å; Q49-W100 VanDerWaalsContact CG-CZ3 3.43Å; Q49-W100 VanDerWaalsContact NE2-CD2 3.29Å; Y50-W100 VanDerWaalsContact N-CZ3 3.3Å; Y50-W100 VanDerWaalsContact O-CH2 3.26Å; Y50-W100 WeakPolarHBondContact O-CH2 3.07Å; Y50-W100 WeakPolarHBondContact O-CZ3 3.34Å; A51-W100 HydrophobicContact CB-CE3 4.22Å; A51-W100 HydrophobicContact CB-CH2 4.3Å; A51-W100 HydrophobicContact CB-CZ3 3.78Å; V64-W100 HydrophobicContact CG1-CH2 3.58Å; V64-W100 HydrophobicContact CG1-CZ2 3.36Å; K65-W100 VanDerWaalsContact O-CH2 3.28Å; K65-W100 WeakPolarHBondContact O-CH2 3.47Å; L97-W100 HydrophobicContact CB-CB 4.11Å; L97-W100 HydrophobicContact CB-CG 4.11Å; L97-W100 HydrophobicContact CD2-CD2 3.56Å; L97-W100 HydrophobicContact CD2-CE3 3.88Å; L97-W100 HydrophobicContact CD2-CG 3.86Å; L97-W100 HydrophobicContact CD2-CH2 4.49Å; L97-W100 HydrophobicContact CD2-CZ2 4.26Å; L97-W100 HydrophobicContact CD2-CZ3 4.32Å; L97-W100 WeakPolarHBondContact O-CB 3.49Å; L97-W100 PolarHBondContact O-N 2.85Å; W100-K102 PolarHBondContact O-N 3.22Å; W100-I104 HydrophobicContact CB-CG2 4.13Å; W100-I104 HydrophobicContact CE3-CG2 4.08Å; W100-I105 HydrophobicContact CB-CD1 4.42Å; W100-I105 HydrophobicContact CB-CG1 4.32Å; W100-I105 WeakPolarHBondContact O-CD1 3.48Å
101D94.8Very high96.7Very high92 Ų9274.1 Ų74.149%0.49233%0.334SS..  trans-58.2137.5177.5-179.617.7000111.6W103 I104 I105D101-W103 PolarHBondContact O-N 2.92Å; D101-W103 PolarHBondContact OD1-N 3.11Å; D101-W103 VanDerWaalsContact OD2-CB 3.29Å; D101-W103 WeakPolarHBondContact OD2-CB 3.48Å; D101-I104 HydrophobicContact CB-CG2 4.19Å; D101-I104 WeakPolarHBondContact O-CG2 3.45Å; D101-I104 PolarHBondContact O-N 3.1Å; D101-I105 WeakPolarHBondContact O-CG1 3.27Å; D101-I105 PolarHBondContact O-N 3.15Å; D101-I105 VanDerWaalsContact O-N 3.13Å
102K96.2Very high96.7Very high178 Ų17867.9 Ų67.977%0.77431%0.307SS*.Hα-helixtrans-58.3-33.9177.6-64.8179.5-176.9174.90111.2W100 S106W100-K102 PolarHBondContact O-N 3.22Å; K102-S106 WeakPolarHBondContact O-CB 3.3Å; K102-S106 PolarHBondContact O-N 3.31Å
103W95.8Very high96.6Very high69 Ų6969.4 Ų69.426%0.26131%0.313SS..Hα-helixtrans-61.2-51.9177.4-17894.2000111.1T35 H41 S42 D101 I105 S106 R107T35-W103 HydrophobicContact CG2-CH2 3.93Å; T35-W103 HydrophobicContact CG2-CZ2 3.79Å; H41-W103 HydrophobicContact CB-CH2 4.44Å; H41-W103 HydrophobicContact CB-CZ3 4.38Å; H41-W103 WeakPolarHBondContact O-CZ3 3.46Å; S42-W103 VanDerWaalsContact OG-CH2 3.26Å; S42-W103 WeakPolarHBondContact OG-CH2 3.49Å; S42-W103 WeakPolarHBondContact OG-CZ2 3.33Å; D101-W103 PolarHBondContact O-N 2.92Å; D101-W103 PolarHBondContact OD1-N 3.11Å; D101-W103 VanDerWaalsContact OD2-CB 3.29Å; D101-W103 WeakPolarHBondContact OD2-CB 3.48Å; W103-I105 VanDerWaalsContact C-N 3.35Å; W103-I105 PolarHBondContact O-N 3.1Å; W103-S106 WeakPolarHBondContact O-CB 2.92Å; W103-S106 PolarHBondContact O-N 3.05Å; W103-R107 HydrophobicContact CD2-CG 3.93Å; W103-R107 HydrophobicContact CE3-CG 4.22Å; W103-R107 HydrophobicContact CH2-CG 3.99Å; W103-R107 HydrophobicContact CZ2-CG 3.75Å; W103-R107 HydrophobicContact CZ3-CG 4.25Å; W103-R107 WeakPolarHBondContact O-CG 3.3Å; W103-R107 PolarHBondContact O-N 3.27Å
104I96.2Very high96.6Very high11 Ų1177.1 Ų77.16%0.05634%0.342CS..Hα-helixtrans-65.2-40.6-178-167.767.7000110.9V34 Y50 A51 W100 D101 S106 R107 V108V34-I104 HydrophobicContact CG2-CD1 4.03Å; Y50-I104 HydrophobicContact CD2-CD1 4.09Å; Y50-I104 HydrophobicContact CE1-CD1 4.41Å; Y50-I104 HydrophobicContact CE2-CD1 3.66Å; A51-I104 HydrophobicContact CB-CG1 4.38Å; W100-I104 HydrophobicContact CB-CG2 4.13Å; W100-I104 HydrophobicContact CE3-CG2 4.08Å; D101-I104 HydrophobicContact CB-CG2 4.19Å; D101-I104 WeakPolarHBondContact O-CG2 3.45Å; D101-I104 PolarHBondContact O-N 3.1Å; I104-S106 VanDerWaalsContact C-N 3.3Å; I104-S106 PolarHBondContact O-N 2.97Å; I104-R107 PolarHBondContact O-N 3.49Å; I104-V108 HydrophobicContact CD1-CG2 4.28Å; I104-V108 HydrophobicContact CG1-CG2 4.07Å; I104-V108 VanDerWaalsContact O-CB 3.27Å; I104-V108 WeakPolarHBondContact O-CB 3.42Å; I104-V108 WeakPolarHBondContact O-CG2 3.34Å; I104-V108 PolarHBondContact O-N 3.21Å
105I96.7Very high96.6Very high22 Ų2272.6 Ų72.611%0.11332%0.324CS..Hα-helixtrans-57.2-45.3175.2-63.4166.9000110.7L97 W100 D101 W103 K109L97-I105 HydrophobicContact CB-CD1 4.42Å; L97-I105 HydrophobicContact CB-CG1 3.86Å; L97-I105 HydrophobicContact CD1-CG1 4.41Å; L97-I105 WeakPolarHBondContact O-CD1 3.4Å; W100-I105 HydrophobicContact CB-CD1 4.42Å; W100-I105 HydrophobicContact CB-CG1 4.32Å; W100-I105 WeakPolarHBondContact O-CD1 3.48Å; D101-I105 WeakPolarHBondContact O-CG1 3.27Å; D101-I105 PolarHBondContact O-N 3.15Å; D101-I105 VanDerWaalsContact O-N 3.13Å; W103-I105 VanDerWaalsContact C-N 3.35Å; W103-I105 PolarHBondContact O-N 3.1Å; I105-K109 HydrophobicContact CG2-CD 4.15Å; I105-K109 VanDerWaalsContact CG2-CE 3.48Å; I105-K109 VanDerWaalsContact CG2-NZ 3.34Å; I105-K109 VanDerWaalsContact O-CG 3.25Å; I105-K109 WeakPolarHBondContact O-CG 3.38Å; I105-K109 PolarHBondContact O-N 3.48Å
106S97.2Very high96.5Very high55 Ų5569.4 Ų69.439%0.38531%0.306SS..Hα-helixtrans-63.6-47.6178.9-176.50000111.7K102 W103 I104 K109 Q110K102-S106 WeakPolarHBondContact O-CB 3.3Å; K102-S106 PolarHBondContact O-N 3.31Å; W103-S106 WeakPolarHBondContact O-CB 2.92Å; W103-S106 PolarHBondContact O-N 3.05Å; I104-S106 VanDerWaalsContact C-N 3.3Å; I104-S106 PolarHBondContact O-N 2.97Å; S106-K109 PolarHBondContact O-N 3.1Å; S106-Q110 WeakPolarHBondContact O-CG 3.42Å; S106-Q110 PolarHBondContact O-N 2.75Å
107R97.5Very high96.5Very high89 Ų8971 Ų7134%0.33631%0.314SS..Hα-helixtrans-65-41.7179.4-62.4-49.7-178.6176.80.7112V34 T35 W103 I104 K109 Q110 R111V34-R107 HydrophobicContact CB-CB 4.18Å; V34-R107 HydrophobicContact CG1-CB 3.48Å; V34-R107 VanDerWaalsContact CG1-CB 3.48Å; V34-R107 WeakPolarHBondContact CG1-O 3.47Å; T35-R107 HydrophobicContact CG2-CG 4.05Å; W103-R107 HydrophobicContact CD2-CG 3.93Å; W103-R107 HydrophobicContact CE3-CG 4.22Å; W103-R107 HydrophobicContact CH2-CG 3.99Å; W103-R107 HydrophobicContact CZ2-CG 3.75Å; W103-R107 HydrophobicContact CZ3-CG 4.25Å; W103-R107 WeakPolarHBondContact O-CG 3.3Å; W103-R107 PolarHBondContact O-N 3.27Å; I104-R107 PolarHBondContact O-N 3.49Å; R107-K109 VanDerWaalsContact C-N 3.35Å; R107-K109 PolarHBondContact O-N 2.74Å; R107-Q110 WeakPolarHBondContact O-CB 3.42Å; R107-Q110 PolarHBondContact O-N 2.74Å; R107-Q110 VanDerWaalsContact O-N 3.16Å; R107-R111 WeakPolarHBondContact O-CB 3.2Å; R107-R111 PolarHBondContact O-N 3.34Å
108V97.5Very high96.5Very high0 Ų076.4 Ų76.40%034%0.335CS..Hα-helixtrans-60.8-45176167.20000110.1V34 A51 I53 L62 I93 L97 I104 Q110 R111 F112V34-V108 HydrophobicContact CG1-CG2 4.43Å; V34-V108 HydrophobicContact CG2-CG2 4.25Å; A51-V108 HydrophobicContact CB-CG2 4.16Å; A51-V108 VanDerWaalsContact O-CG2 3.23Å; A51-V108 WeakPolarHBondContact O-CG2 3.41Å; I53-V108 HydrophobicContact CD1-CG1 3.66Å; I53-V108 WeakPolarHBondContact CD1-O 3.48Å; I53-V108 HydrophobicContact CG1-CG1 3.91Å; L62-V108 HydrophobicContact CD1-CG1 3.78Å; I93-V108 HydrophobicContact CG2-CG1 3.91Å; L97-V108 HydrophobicContact CD1-CB 4.43Å; L97-V108 HydrophobicContact CD1-CG1 4.12Å; I104-V108 HydrophobicContact CD1-CG2 4.28Å; I104-V108 HydrophobicContact CG1-CG2 4.07Å; I104-V108 VanDerWaalsContact O-CB 3.27Å; I104-V108 WeakPolarHBondContact O-CB 3.42Å; I104-V108 WeakPolarHBondContact O-CG2 3.34Å; I104-V108 PolarHBondContact O-N 3.21Å; V108-Q110 VanDerWaalsContact C-N 3.35Å; V108-Q110 PolarHBondContact O-N 3.14Å; V108-R111 PolarHBondContact O-N 3.45Å; V108-F112 PolarHBondContact O-N 2.89Å
109K97.5Very high96.5Very high54 Ų5472.6 Ų72.624%0.23532%0.315CS..Hα-helixtrans-59.7-42.6173.3-72.5168.3-177165.20112.4L90 I105 S106 R107 F112 F113L90-K109 HydrophobicContact CD2-CG 4.04Å; I105-K109 HydrophobicContact CG2-CD 4.15Å; I105-K109 VanDerWaalsContact CG2-CE 3.48Å; I105-K109 VanDerWaalsContact CG2-NZ 3.34Å; I105-K109 VanDerWaalsContact O-CG 3.25Å; I105-K109 WeakPolarHBondContact O-CG 3.38Å; I105-K109 PolarHBondContact O-N 3.48Å; S106-K109 PolarHBondContact O-N 3.1Å; R107-K109 VanDerWaalsContact C-N 3.35Å; R107-K109 PolarHBondContact O-N 2.74Å; K109-F112 WeakPolarHBondContact O-CB 3.2Å; K109-F112 PolarHBondContact O-N 2.98Å; K109-F113 WeakPolarHBondContact O-CD2 3.3Å; K109-F113 PolarHBondContact O-N 2.78Å; K109-F113 VanDerWaalsContact O-N 3.15Å
110Q97.6Very high96.5Very high83 Ų8367.6 Ų67.639%0.38830%0.298SS..Hα-helixtrans-62.2-44.7176.5-72.2176.5-17.800111.5S106 R107 V108 F112 F113 R114S106-Q110 WeakPolarHBondContact O-CG 3.42Å; S106-Q110 PolarHBondContact O-N 2.75Å; R107-Q110 WeakPolarHBondContact O-CB 3.42Å; R107-Q110 PolarHBondContact O-N 2.74Å; R107-Q110 VanDerWaalsContact O-N 3.16Å; V108-Q110 VanDerWaalsContact C-N 3.35Å; V108-Q110 PolarHBondContact O-N 3.14Å; Q110-F112 VanDerWaalsContact C-N 3.34Å; Q110-F112 PolarHBondContact O-N 2.98Å; Q110-F113 PolarHBondContact O-N 3.07Å; Q110-R114 WeakPolarHBondContact O-CG 3.35Å; Q110-R114 PolarHBondContact O-N 2.7Å
111R97Very high96.6Very high53 Ų5369.5 Ų69.520%0.231%0.31CS..Hα-helixtrans-65.8-35.2177.1-173.6170.1172.1127.22.8112.6D31 N33 V34 I53 R107 V108 F113 R114 T115D31-R111 VanDerWaalsContact O-CZ 3.23Å; D31-R111 PolarHBondContact O-NH1 3.44Å; D31-R111 VanDerWaalsContact O-NH1 3.13Å; D31-R111 PolarHBondContact O-NH2 3.36Å; N33-R111 PolarHBondContact O-NH1 3.3Å; V34-R111 HydrophobicContact CG1-CB 3.81Å; I53-R111 HydrophobicContact CB-CG 4.21Å; I53-R111 PolarHBondContact O-NE 3.34Å; I53-R111 PolarHBondContact O-NH2 3.45Å; R107-R111 WeakPolarHBondContact O-CB 3.2Å; R107-R111 PolarHBondContact O-N 3.34Å; V108-R111 PolarHBondContact O-N 3.45Å; R111-F113 VanDerWaalsContact C-N 3.33Å; R111-F113 PolarHBondContact O-N 3.34Å; R111-R114 PolarHBondContact O-N 3.37Å; R111-T115 WeakPolarHBondContact O-CB 3.33Å; R111-T115 PolarHBondContact O-N 3.32Å; R111-T115 PolarHBondContact O-OG1 3.29Å
112F97.8Very high96.5Very high4 Ų468.6 Ų68.62%0.01830%0.304CS..Hα-helixtrans-56.2-50.1172.1175.8-113.2000110.6I53 I60 L82 K86 A89 L90 I93 V108 K109 Q110 T115 R116I53-F112 VanDerWaalsContact CD1-CA 3.48Å; I53-F112 HydrophobicContact CD1-CB 3.34Å; I53-F112 HydrophobicContact CD1-CD2 4.19Å; I53-F112 HydrophobicContact CD1-CG 4.23Å; I60-F112 HydrophobicContact CD1-CD2 4.29Å; I60-F112 HydrophobicContact CD1-CE2 3.99Å; I60-F112 HydrophobicContact CG2-CD2 4.18Å; I60-F112 HydrophobicContact CG2-CE2 4.41Å; L82-F112 HydrophobicContact CD1-CD2 3.9Å; L82-F112 HydrophobicContact CD1-CE2 3.97Å; K86-F112 HydrophobicContact CG-CE1 4.29Å; A89-F112 HydrophobicContact CB-CE1 4.32Å; A89-F112 HydrophobicContact CB-CE2 3.92Å; A89-F112 HydrophobicContact CB-CZ 3.55Å; L90-F112 HydrophobicContact CD2-CD1 3.98Å; L90-F112 HydrophobicContact CD2-CE1 4.31Å; L90-F112 HydrophobicContact CG-CD1 4.42Å; L90-F112 HydrophobicContact CG-CE1 4.25Å; I93-F112 HydrophobicContact CD1-CB 4.24Å; I93-F112 HydrophobicContact CD1-CD2 4.23Å; I93-F112 HydrophobicContact CD1-CG 4.13Å; V108-F112 PolarHBondContact O-N 2.89Å; K109-F112 WeakPolarHBondContact O-CB 3.2Å; K109-F112 PolarHBondContact O-N 2.98Å; Q110-F112 VanDerWaalsContact C-N 3.34Å; Q110-F112 PolarHBondContact O-N 2.98Å; F112-T115 PolarHBondContact O-N 2.76Å; F112-R116 VanDerWaalsContact O-CB 3.31Å; F112-R116 WeakPolarHBondContact O-CB 3.36Å; F112-R116 PolarHBondContact O-N 3.27Å
113F97.5Very high96.3Very high66 Ų6668.4 Ų68.429%0.28930%0.299SS..Hα-helixtrans-62.9-46.2179.8-73.9-56.1000112.3K86 L90 K109 Q110 R111 T115 R116 E117K86-F113 HydrophobicContact CD-CE1 3.82Å; K86-F113 HydrophobicContact CG-CE1 3.97Å; L90-F113 HydrophobicContact CD1-CE1 4.33Å; L90-F113 HydrophobicContact CD1-CZ 3.7Å; L90-F113 HydrophobicContact CD2-CE2 4.3Å; L90-F113 HydrophobicContact CD2-CZ 4.1Å; L90-F113 HydrophobicContact CG-CZ 4.44Å; K109-F113 WeakPolarHBondContact O-CD2 3.3Å; K109-F113 PolarHBondContact O-N 2.78Å; K109-F113 VanDerWaalsContact O-N 3.15Å; Q110-F113 PolarHBondContact O-N 3.07Å; R111-F113 VanDerWaalsContact C-N 3.33Å; R111-F113 PolarHBondContact O-N 3.34Å; F113-T115 PolarHBondContact O-N 3.49Å; F113-R116 PolarHBondContact O-N 3.01Å; F113-E117 WeakPolarHBondContact O-CB 3.36Å; F113-E117 PolarHBondContact O-N 3.15Å
114R97Very high96.2Very high161 Ų16173.1 Ų73.161%0.60832%0.316SS*.Hα-helixtrans-58.3-47.6176.4-73.3179.7177.3177.1-2.5112.2Q110 R111 R116 E117 Y118Q110-R114 WeakPolarHBondContact O-CG 3.35Å; Q110-R114 PolarHBondContact O-N 2.7Å; R111-R114 PolarHBondContact O-N 3.37Å; R114-R116 VanDerWaalsContact C-N 3.33Å; R114-R116 PolarHBondContact O-N 2.77Å; R114-E117 PolarHBondContact O-N 3.5Å; R114-Y118 WeakPolarHBondContact O-CB 3.27Å; R114-Y118 PolarHBondContact O-N 3.17Å
115T96.3Very high95.9Very high20 Ų2078.3 Ų78.312%0.12334%0.344CS..Hα-helixtrans-62.5-43.1179.8-51.40000110.9E55 I60 R111 F112 F113 Y118 L119E55-T115 HydrophobicContact CB-CG2 3.98Å; I60-T115 HydrophobicContact CD1-CG2 4.3Å; I60-T115 HydrophobicContact CG1-CG2 4.32Å; R111-T115 WeakPolarHBondContact O-CB 3.33Å; R111-T115 PolarHBondContact O-N 3.32Å; R111-T115 PolarHBondContact O-OG1 3.29Å; F112-T115 PolarHBondContact O-N 2.76Å; F113-T115 PolarHBondContact O-N 3.49Å; T115-Y118 WeakPolarHBondContact O-CB 3.41Å; T115-Y118 PolarHBondContact O-N 2.92Å; T115-L119 WeakPolarHBondContact O-CG 3.11Å; T115-L119 PolarHBondContact O-N 2.87Å
116R96.6Very high95.6Very high62 Ų6281.4 Ų81.423%0.23437%0.372CS..Hα-helixtrans-67.2-37.8178.4-170-17768139.84.5112.6I60 K86 F112 F113 R114 L119 K120I60-R116 HydrophobicContact CD1-CB 4.04Å; K86-R116 VanDerWaalsContact CD-NH1 3.3Å; F112-R116 VanDerWaalsContact O-CB 3.31Å; F112-R116 WeakPolarHBondContact O-CB 3.36Å; F112-R116 PolarHBondContact O-N 3.27Å; F113-R116 PolarHBondContact O-N 3.01Å; R114-R116 VanDerWaalsContact C-N 3.33Å; R114-R116 PolarHBondContact O-N 2.77Å; R116-L119 PolarHBondContact O-N 2.93Å; R116-K120 WeakPolarHBondContact O-CG 3.38Å; R116-K120 PolarHBondContact O-N 3.47Å; R116-K120 VanDerWaalsContact O-N 3.1Å
117E96.9Very high95.2Very high117 Ų11785.5 Ų85.555%0.54739%0.389SS..Hα-helixtrans-66.4-44.4174.5-178.5170.2-156.300111.4F113 R114 L119 K120 N121F113-E117 WeakPolarHBondContact O-CB 3.36Å; F113-E117 PolarHBondContact O-N 3.15Å; R114-E117 PolarHBondContact O-N 3.5Å; E117-L119 VanDerWaalsContact C-N 3.34Å; E117-L119 PolarHBondContact O-N 3.22Å; E117-K120 WeakPolarHBondContact O-CB 3.47Å; E117-K120 PolarHBondContact O-N 3.29Å; E117-K120 VanDerWaalsContact O-N 3.1Å; E117-N121 PolarHBondContact O-N 3.2Å
118Y96Very high94.5Very high113 Ų11384.6 Ų84.644%0.44340%0.396SS..Hα-helixtrans-53.2-48.5171157.8-105.6000111.9E55 R114 T115 K120 N121 M122E55-Y118 WeakPolarHBondContact OE2-CE1 3.37Å; R114-Y118 WeakPolarHBondContact O-CB 3.27Å; R114-Y118 PolarHBondContact O-N 3.17Å; T115-Y118 WeakPolarHBondContact O-CB 3.41Å; T115-Y118 PolarHBondContact O-N 2.92Å; Y118-K120 VanDerWaalsContact C-N 3.31Å; Y118-K120 PolarHBondContact O-N 3.47Å; Y118-N121 PolarHBondContact O-N 2.86Å; Y118-N121 VanDerWaalsContact O-N 3.11Å; Y118-M122 HydrophobicContact CD1-CE 4.16Å; Y118-M122 HydrophobicContact CD2-CG 4.15Å; Y118-M122 HydrophobicContact CE1-CE 3.35Å; Y118-M122 HydrophobicContact CE1-SD 4.23Å; Y118-M122 HydrophobicContact CE2-CE 3.9Å; Y118-M122 HydrophobicContact CE2-CG 3.67Å; Y118-M122 HydrophobicContact CE2-SD 3.69Å; Y118-M122 PolarHBondContact O-N 2.96Å; Y118-M122 WeakPolarHBondContact OH-CE 3.48Å; Y118-M122 PolarHBondContact OH-SD 3.38Å
119L94.9Very high93.6Very high32 Ų3290.5 Ų90.517%0.16842%0.419CS..Hα-helixtrans-60.7-38.6176.2-73.1178000113E55 I60 T115 R116 E117 M122 R123E55-L119 HydrophobicContact CG-CD1 4.3Å; E55-L119 HydrophobicContact CG-CD2 3.99Å; E55-L119 HydrophobicContact CG-CG 4.49Å; I60-L119 HydrophobicContact CD1-CD1 4.01Å; I60-L119 HydrophobicContact CG1-CD1 3.86Å; T115-L119 WeakPolarHBondContact O-CG 3.11Å; T115-L119 PolarHBondContact O-N 2.87Å; R116-L119 PolarHBondContact O-N 2.93Å; E117-L119 VanDerWaalsContact C-N 3.34Å; E117-L119 PolarHBondContact O-N 3.22Å; L119-M122 HydrophobicContact CD2-CE 3.73Å; L119-R123 PolarHBondContact O-N 2.87Å; L119-R123 VanDerWaalsContact O-N 3.14Å
120K95.3Very high92.7Very high104 Ų10494.3 Ų94.345%0.45244%0.437SS..Hα-helixtrans-65.2-41.5174.4-74.3-179176.3-1660111.4R116 E117 Y118 R123 R124R116-K120 WeakPolarHBondContact O-CG 3.38Å; R116-K120 PolarHBondContact O-N 3.47Å; R116-K120 VanDerWaalsContact O-N 3.1Å; E117-K120 WeakPolarHBondContact O-CB 3.47Å; E117-K120 PolarHBondContact O-N 3.29Å; E117-K120 VanDerWaalsContact O-N 3.1Å; Y118-K120 VanDerWaalsContact C-N 3.31Å; Y118-K120 PolarHBondContact O-N 3.47Å; K120-R123 PolarHBondContact O-N 2.9Å; K120-R124 WeakPolarHBondContact O-CG 3.48Å; K120-R124 PolarHBondContact O-N 3.19Å
121N96.1Very high91.7Very high74 Ų7496 Ų9640%0.39644%0.444SS..Hα-helixtrans-69.9-41-179.2-71-12000111.7E117 Y118 R123 R124 L125E117-N121 PolarHBondContact O-N 3.2Å; Y118-N121 PolarHBondContact O-N 2.86Å; Y118-N121 VanDerWaalsContact O-N 3.11Å; N121-R123 VanDerWaalsContact C-N 3.3Å; N121-R123 PolarHBondContact O-N 3.27Å; N121-R124 PolarHBondContact O-N 3Å; N121-L125 WeakPolarHBondContact O-CB 3.38Å; N121-L125 PolarHBondContact O-N 3.43Å
122M93.1Very high90.8Very high74 Ų7498.6 Ų98.637%0.36546%0.456SS..Hα-helixtrans-57.5-44.9171.5-81.8-154.3-64.100111.7Y118 L119 L125 A126Y118-M122 HydrophobicContact CD1-CE 4.16Å; Y118-M122 HydrophobicContact CD2-CG 4.15Å; Y118-M122 HydrophobicContact CE1-CE 3.35Å; Y118-M122 HydrophobicContact CE1-SD 4.23Å; Y118-M122 HydrophobicContact CE2-CE 3.9Å; Y118-M122 HydrophobicContact CE2-CG 3.67Å; Y118-M122 HydrophobicContact CE2-SD 3.69Å; Y118-M122 PolarHBondContact O-N 2.96Å; Y118-M122 WeakPolarHBondContact OH-CE 3.48Å; Y118-M122 PolarHBondContact OH-SD 3.38Å; L119-M122 HydrophobicContact CD2-CE 3.73Å; M122-L125 PolarHBondContact O-N 2.82Å; M122-A126 WeakPolarHBondContact O-CB 3.4Å; M122-A126 PolarHBondContact O-N 3.25Å
123R92.5Very high89.9Confident174 Ų174103.6 Ų103.666%0.65748%0.483SS*.Hα-helixtrans-63.2-43.8176.7-173.3179.4-62.7159.41.8112.1L119 K120 N121 L125 A126 L127L119-R123 PolarHBondContact O-N 2.87Å; L119-R123 VanDerWaalsContact O-N 3.14Å; K120-R123 PolarHBondContact O-N 2.9Å; N121-R123 VanDerWaalsContact C-N 3.3Å; N121-R123 PolarHBondContact O-N 3.27Å; R123-L125 VanDerWaalsContact C-N 3.3Å; R123-L125 PolarHBondContact O-N 3.02Å; R123-A126 PolarHBondContact O-N 3.14Å; R123-L127 HydrophobicContact CG-CD1 3.87Å; R123-L127 HydrophobicContact CG-CG 4.49Å; R123-L127 WeakPolarHBondContact O-CB 3.49Å; R123-L127 WeakPolarHBondContact O-CG 3.41Å; R123-L127 PolarHBondContact O-N 3.38Å
124R92.9Very high88.9Confident168 Ų168104.2 Ų104.263%0.63449%0.486SS*.Hα-helixtrans-61.7-39.9176.3-75.7172175.3177.7-6.7111.7K120 N121 S128K120-R124 WeakPolarHBondContact O-CG 3.48Å; K120-R124 PolarHBondContact O-N 3.19Å; N121-R124 PolarHBondContact O-N 3Å; R124-S128 WeakPolarHBondContact O-CB 3.47Å; R124-S128 PolarHBondContact O-N 3.41Å
125L90Very high88.1Confident120 Ų120101.5 Ų101.563%0.62849%0.49SS*.Hα-helixtrans-68.7-41.5178.1-173.165.8000111.5N121 M122 R123 L127 S128N121-L125 WeakPolarHBondContact O-CB 3.38Å; N121-L125 PolarHBondContact O-N 3.43Å; M122-L125 PolarHBondContact O-N 2.82Å; R123-L125 VanDerWaalsContact C-N 3.3Å; R123-L125 PolarHBondContact O-N 3.02Å; L125-L127 VanDerWaalsContact C-N 3.33Å; L125-L127 PolarHBondContact O-N 3.18Å; L125-S128 WeakPolarHBondContact O-CB 3.42Å; L125-S128 PolarHBondContact O-N 2.87Å
126A89.6Confident87.3Confident86 Ų86103.8 Ų103.871%0.71150%0.5SS*.Hα-helixtrans-65.8-35176.300000112.7M122 R123M122-A126 WeakPolarHBondContact O-CB 3.4Å; M122-A126 PolarHBondContact O-N 3.25Å; R123-A126 PolarHBondContact O-N 3.14Å
127L88.6Confident86.6Confident142 Ų142105.3 Ų105.374%0.74351%0.513SS*.Hα-helixtrans-82.5-14.4173.5-68.5168.4000113R123 L125 R129R123-L127 HydrophobicContact CG-CD1 3.87Å; R123-L127 HydrophobicContact CG-CG 4.49Å; R123-L127 WeakPolarHBondContact O-CB 3.49Å; R123-L127 WeakPolarHBondContact O-CG 3.41Å; R123-L127 PolarHBondContact O-N 3.38Å; L125-L127 VanDerWaalsContact C-N 3.33Å; L125-L127 PolarHBondContact O-N 3.18Å; L127-R129 PolarHBondContact O-N 3.49Å
128S84.2Confident85.9Confident70 Ų70104.8 Ų104.849%0.4951%0.506SS..SBendtrans-78.8123179.5-177.50000108.4R124 L125 Q130R124-S128 WeakPolarHBondContact O-CB 3.47Å; R124-S128 PolarHBondContact O-N 3.41Å; L125-S128 WeakPolarHBondContact O-CB 3.42Å; L125-S128 PolarHBondContact O-N 2.87Å; S128-Q130 PolarHBondContact O-N 2.97Å; S128-Q130 VanDerWaalsContact O-N 3.15Å
129R79Confident85.5Confident123 Ų123103.3 Ų103.346%0.46451%0.509SS..PPolyproline II helixtrans-52.3120.4173.5-168.4171.5-178.5-158.81110.4L127 Y255 E256L127-R129 PolarHBondContact O-N 3.49Å; R129-Y255 HydrophobicContact CG-CD1 4Å; R129-Y255 VanDerWaalsContact CZ-CG 3.49Å; R129-Y255 PolarHBondContact NH2-O 3.21Å; R129-E256 VanDerWaalsContact CZ-O 3.27Å; R129-E256 PolarHBondContact NE-O 3.25Å; R129-E256 PolarHBondContact NH2-O 3.4Å
130Q77.6Confident85.2Confident135 Ų135104.7 Ų104.763%0.63152%0.519SS*.PPolyproline II helixtrans-73.7133.7174.3-64.4-167.9-0.400108.7S128 K132S128-Q130 PolarHBondContact O-N 2.97Å; S128-Q130 VanDerWaalsContact O-N 3.15Å; Q130-K132 PolarHBondContact O-N 3.4Å
131K77.2Confident84.7Confident119 Ų119102.6 Ų102.652%0.51751%0.51SS..EExtended strand (participates in β ladder)trans-81.5117.3176.1-72.2176.3178.6-176.20107.4L133 I253 Y255K131-L133 HydrophobicContact CB-CD2 4.43Å; K131-L133 PolarHBondContact O-N 3.36Å; K131-I253 HydrophobicContact CB-CG2 3.89Å; K131-I253 HydrophobicContact CD-CG2 3.77Å; K131-I253 HydrophobicContact CG-CG2 3.73Å; K131-Y255 HydrophobicContact CG-CD1 4.11Å; K131-Y255 HydrophobicContact CG-CE1 4.01Å
132K78.2Confident84.3Confident106 Ų106104.7 Ų104.746%0.46152%0.516SS..EExtended strand (participates in β ladder)trans-81106169.5-166.3-175.7-179.2-155.80107.3Q130 E134 H254Q130-K132 PolarHBondContact O-N 3.4Å; K132-E134 HydrophobicContact CD-CG 4.39Å; K132-E134 VanDerWaalsContact CE-OE1 3.3Å; K132-E134 WeakPolarHBondContact CE-OE1 3.43Å; K132-E134 HydrophobicContact CG-CG 4.33Å; K132-E134 IonicContact NZ-OE1 2.65Å; K132-E134 PolarHBondContact NZ-OE1 3.32Å; K132-E134 PolarHBondContact O-N 2.86Å; K132-H254 PolarHBondContact N-O 2.85Å; K132-H254 PolarHBondContact O-N 3.11Å
133L78.1Confident84.3Confident110 Ų110107.2 Ų107.258%0.57652%0.521SS*.EExtended strand (participates in β ladder)trans-83.3102.8177.2-62-179.6000108.1K131 V251 I253K131-L133 HydrophobicContact CB-CD2 4.43Å; K131-L133 PolarHBondContact O-N 3.36Å; L133-V251 HydrophobicContact CB-CG1 3.82Å; L133-V251 HydrophobicContact CD2-CG1 3.87Å; L133-V251 HydrophobicContact CG-CG1 4.35Å; L133-I253 HydrophobicContact CD2-CG1 3.9Å
134E76.9Confident84.3Confident79 Ų79102.5 Ų102.537%0.36951%0.507SS..EExtended strand (participates in β ladder)trans-92.8118.4172.3-69.3-175.5171.700108.9K132 I136 T252 H254K132-E134 HydrophobicContact CD-CG 4.39Å; K132-E134 VanDerWaalsContact CE-OE1 3.3Å; K132-E134 WeakPolarHBondContact CE-OE1 3.43Å; K132-E134 HydrophobicContact CG-CG 4.33Å; K132-E134 IonicContact NZ-OE1 2.65Å; K132-E134 PolarHBondContact NZ-OE1 3.32Å; K132-E134 PolarHBondContact O-N 2.86Å; E134-I136 PolarHBondContact O-N 3.1Å; E134-T252 PolarHBondContact N-O 3.1Å; E134-T252 PolarHBondContact O-N 3.27Å; E134-H254 IonicContact OE2-CD2 2.67Å
135P80.6Confident84.2Confident104 Ų10499.1 Ų99.168%0.67550%0.501SS*.EExtended strand (participates in β ladder)trans-73.4121.417729.1-31.6000109.3N137P135-N137 PolarHBondContact O-N 2.86Å
136I78.1Confident84.4Confident68 Ų68102 Ų10235%0.34950%0.503SS..PPolyproline II helixtrans-75.3125.5167-64.7171.3000107.9E134 R138 E141 T252E134-I136 PolarHBondContact O-N 3.1Å; I136-R138 PolarHBondContact O-N 3Å; I136-E141 HydrophobicContact CG2-CB 4.31Å; I136-T252 WeakPolarHBondContact CD1-OG1 3.43Å; I136-T252 WeakPolarHBondContact CG1-OG1 3.31Å
137N83.2Confident84.6Confident93 Ų93103.9 Ų103.950%0.49749%0.492SS..  trans-75.5111.7169-169.2-4000110.1P135 T139 V140 E141P135-N137 PolarHBondContact O-N 2.86Å; N137-T139 VanDerWaalsContact CG-OG1 3.23Å; N137-T139 PolarHBondContact ND2-OG1 2.89Å; N137-T139 VanDerWaalsContact ND2-OG1 3.11Å; N137-T139 PolarHBondContact O-N 3.22Å; N137-T139 PolarHBondContact OD1-N 3.2Å; N137-T139 VanDerWaalsContact OD1-N 3.15Å; N137-T139 PolarHBondContact OD1-OG1 2.87Å; N137-V140 HydrophobicContact CB-CB 4.24Å; N137-V140 HydrophobicContact CB-CG2 3.91Å; N137-V140 PolarHBondContact O-N 2.77Å; N137-V140 VanDerWaalsContact O-N 3.1Å; N137-E141 PolarHBondContact O-N 3.1Å
138R81.7Confident84.6Confident106 Ų106102.2 Ų102.240%0.448%0.481SS..Hα-helixtrans-61.8-26.5-179.7-61.2-17676.2-178.64.7112.8I136 K142I136-R138 PolarHBondContact O-N 3Å; R138-K142 WeakPolarHBondContact O-CB 2.88Å; R138-K142 VanDerWaalsContact O-CG 3.27Å; R138-K142 WeakPolarHBondContact O-CG 3.48Å; R138-K142 PolarHBondContact O-N 3.44Å; R138-K142 VanDerWaalsContact O-N 3.1Å
139T86.7Confident84.8Confident82 Ų82101.3 Ų101.350%0.50348%0.477SS..Hα-helixtrans-70.8-38.5177.160.70000110.9N137 K142 R143N137-T139 VanDerWaalsContact CG-OG1 3.23Å; N137-T139 PolarHBondContact ND2-OG1 2.89Å; N137-T139 VanDerWaalsContact ND2-OG1 3.11Å; N137-T139 PolarHBondContact O-N 3.22Å; N137-T139 PolarHBondContact OD1-N 3.2Å; N137-T139 VanDerWaalsContact OD1-N 3.15Å; N137-T139 PolarHBondContact OD1-OG1 2.87Å; T139-K142 PolarHBondContact O-N 2.81Å; T139-R143 WeakPolarHBondContact O-CB 3.26Å; T139-R143 PolarHBondContact O-N 2.87Å
140V88.5Confident85.2Confident62 Ų62101.5 Ų101.538%0.37648%0.481SS..Hα-helixtrans-67.3-47174.4-179.90000110.5N137 K142 R143 E144N137-V140 HydrophobicContact CB-CB 4.24Å; N137-V140 HydrophobicContact CB-CG2 3.91Å; N137-V140 PolarHBondContact O-N 2.77Å; N137-V140 VanDerWaalsContact O-N 3.1Å; V140-K142 VanDerWaalsContact C-N 3.28Å; V140-K142 PolarHBondContact O-N 2.97Å; V140-R143 WeakPolarHBondContact O-CA 3.36Å; V140-R143 WeakPolarHBondContact O-CB 3.44Å; V140-R143 PolarHBondContact O-N 2.91Å; V140-E144 HydrophobicContact CG1-CG 4.2Å; V140-E144 WeakPolarHBondContact O-CG 3.29Å; V140-E144 PolarHBondContact O-N 2.91Å
141E86.1Confident85.7Confident59 Ų5997.8 Ų97.828%0.27647%0.473SS..Hα-helixtrans-54.1-45.2176-173.3-172.9-177.500111.4I136 N137 L145 K250I136-E141 HydrophobicContact CG2-CB 4.31Å; N137-E141 PolarHBondContact O-N 3.1Å; E141-L145 HydrophobicContact CG-CD1 4.49Å; E141-L145 VanDerWaalsContact O-CG 3.3Å; E141-L145 WeakPolarHBondContact O-CG 3.49Å; E141-L145 PolarHBondContact O-N 3.43Å; E141-L145 VanDerWaalsContact O-N 3.08Å; E141-K250 IonicContact OE1-NZ 3.01Å; E141-K250 PolarHBondContact OE1-NZ 3.28Å; E141-K250 IonicContact OE2-NZ 2.92Å
142K88.3Confident86Confident119 Ų11998 Ų9852%0.51748%0.479SS..Hα-helixtrans-65.6-37.6175.5-74.1177.9177.8-169.90112.8R138 T139 V140 R146R138-K142 WeakPolarHBondContact O-CB 2.88Å; R138-K142 VanDerWaalsContact O-CG 3.27Å; R138-K142 WeakPolarHBondContact O-CG 3.48Å; R138-K142 PolarHBondContact O-N 3.44Å; R138-K142 VanDerWaalsContact O-N 3.1Å; T139-K142 PolarHBondContact O-N 2.81Å; V140-K142 VanDerWaalsContact C-N 3.28Å; V140-K142 PolarHBondContact O-N 2.97Å; K142-R146 WeakPolarHBondContact O-CG 3.42Å; K142-R146 PolarHBondContact O-N 3.31Å
143R92.4Very high86Confident126 Ų126102.3 Ų102.348%0.47549%0.493SS..Hα-helixtrans-68.2-45.1-179.8-172.3-177.4-67.1163.3-8.5110.9T139 V140 R146 R147T139-R143 WeakPolarHBondContact O-CB 3.26Å; T139-R143 PolarHBondContact O-N 2.87Å; V140-R143 WeakPolarHBondContact O-CA 3.36Å; V140-R143 WeakPolarHBondContact O-CB 3.44Å; V140-R143 PolarHBondContact O-N 2.91Å; R143-R146 PolarHBondContact O-N 2.87Å; R143-R147 WeakPolarHBondContact O-CG 3.3Å; R143-R147 PolarHBondContact O-N 3.4Å
144E91.4Very high86Confident75 Ų75101.8 Ų101.835%0.3549%0.494SS..Hα-helixtrans-62.3-45.4175.8-65.7-50129.600111.2V140 R146 R147 E148V140-E144 HydrophobicContact CG1-CG 4.2Å; V140-E144 WeakPolarHBondContact O-CG 3.29Å; V140-E144 PolarHBondContact O-N 2.91Å; E144-R146 VanDerWaalsContact C-N 3.26Å; E144-R146 PolarHBondContact O-N 2.97Å; E144-R147 CarbonylContact O-C 3.5Å; E144-R147 WeakPolarHBondContact O-CB 3.19Å; E144-R147 PolarHBondContact O-N 2.74Å; E144-R147 IonicContact OE1-CZ 2.96Å; E144-R147 IonicContact OE1-NH1 3.1Å; E144-R147 PolarHBondContact OE1-NH1 2.67Å; E144-E148 WeakPolarHBondContact O-CB 3.33Å; E144-E148 WeakPolarHBondContact O-CG 3.33Å; E144-E148 PolarHBondContact O-N 3.32Å
145L92.6Very high86.1Confident97 Ų97100.1 Ų100.151%0.50849%0.494SS..Hα-helixtrans-57.3-37.9175.2-75.6168.9000113.2E141 A149E141-L145 HydrophobicContact CG-CD1 4.49Å; E141-L145 VanDerWaalsContact O-CG 3.3Å; E141-L145 WeakPolarHBondContact O-CG 3.49Å; E141-L145 PolarHBondContact O-N 3.43Å; E141-L145 VanDerWaalsContact O-N 3.08Å; L145-A149 WeakPolarHBondContact O-CB 3.44Å; L145-A149 PolarHBondContact O-N 2.94Å
146R93.2Very high86Confident181 Ų18199.9 Ų99.968%0.68348%0.479SS*.Hα-helixtrans-69.8-40.3175.5-70.2176.1-163.6164.4-1.3111.8K142 R143 E144 A149 K150K142-R146 WeakPolarHBondContact O-CG 3.42Å; K142-R146 PolarHBondContact O-N 3.31Å; R143-R146 PolarHBondContact O-N 2.87Å; E144-R146 VanDerWaalsContact C-N 3.26Å; E144-R146 PolarHBondContact O-N 2.97Å; R146-A149 PolarHBondContact O-N 3.16Å; R146-K150 PolarHBondContact O-N 3.21Å
147R93.8Very high86.2Confident125 Ų125101 Ų10147%0.47249%0.485SS..Hα-helixtrans-65.6-42.7176.8-72.9174.3179.3164.8-10.6111.2R143 E144 K150 A151R143-R147 WeakPolarHBondContact O-CG 3.3Å; R143-R147 PolarHBondContact O-N 3.4Å; E144-R147 CarbonylContact O-C 3.5Å; E144-R147 WeakPolarHBondContact O-CB 3.19Å; E144-R147 PolarHBondContact O-N 2.74Å; E144-R147 IonicContact OE1-CZ 2.96Å; E144-R147 IonicContact OE1-NH1 3.1Å; E144-R147 PolarHBondContact OE1-NH1 2.67Å; R147-K150 PolarHBondContact O-N 2.66Å; R147-A151 VanDerWaalsContact O-CB 3.3Å; R147-A151 WeakPolarHBondContact O-CB 3.47Å; R147-A151 PolarHBondContact O-N 3.13Å
148E88.4Confident86.2Confident108 Ų108104.9 Ų104.951%0.50550%0.5SS..Hα-helixtrans-58.8-47.9173.5-73172.6-176.600111E144 K150 A151 L152E144-E148 WeakPolarHBondContact O-CB 3.33Å; E144-E148 WeakPolarHBondContact O-CG 3.33Å; E144-E148 PolarHBondContact O-N 3.32Å; E148-K150 VanDerWaalsContact C-N 3.3Å; E148-K150 PolarHBondContact O-N 2.87Å; E148-A151 PolarHBondContact O-N 3.42Å; E148-L152 WeakPolarHBondContact O-CB 3.42Å; E148-L152 WeakPolarHBondContact O-CG 3.21Å; E148-L152 PolarHBondContact O-N 3.48Å
149A88.9Confident86.4Confident50 Ų50103.8 Ų103.841%0.41350%0.496SS..Hα-helixtrans-64.5-32.4176.700000113.3L145 R146 R153L145-A149 WeakPolarHBondContact O-CB 3.44Å; L145-A149 PolarHBondContact O-N 2.94Å; R146-A149 PolarHBondContact O-N 3.16Å; A149-R153 PolarHBondContact O-N 2.89Å
150K88.4Confident86.5Confident128 Ų128103.5 Ų103.556%0.55749%0.494SS*.Hα-helixtrans-71.8-44.8172.9-168.8175.1-179.6179.70110.8R146 R147 E148 L152 R153 V154R146-K150 PolarHBondContact O-N 3.21Å; R147-K150 PolarHBondContact O-N 2.66Å; E148-K150 VanDerWaalsContact C-N 3.3Å; E148-K150 PolarHBondContact O-N 2.87Å; K150-L152 VanDerWaalsContact C-N 3.34Å; K150-L152 PolarHBondContact O-N 3.43Å; K150-R153 PolarHBondContact O-N 3.02Å; K150-R153 VanDerWaalsContact O-N 3.15Å; K150-V154 HydrophobicContact CG-CG2 4.32Å; K150-V154 WeakPolarHBondContact O-CG2 3.29Å; K150-V154 PolarHBondContact O-N 3.38Å
151A87.8Confident86.4Confident56 Ų56104.1 Ų104.146%0.46350%0.498SS..Hα-helixtrans-61.7-40177.700000112R147 E148 R153 V154 A155R147-A151 VanDerWaalsContact O-CB 3.3Å; R147-A151 WeakPolarHBondContact O-CB 3.47Å; R147-A151 PolarHBondContact O-N 3.13Å; E148-A151 PolarHBondContact O-N 3.42Å; A151-R153 VanDerWaalsContact C-N 3.3Å; A151-R153 PolarHBondContact O-N 2.75Å; A151-V154 PolarHBondContact O-N 3.22Å; A151-A155 WeakPolarHBondContact O-CB 3.48Å; A151-A155 PolarHBondContact O-N 3.3Å
152L82.2Confident86.6Confident123 Ų123106.8 Ų106.864%0.64451%0.51SS*.Hα-helixtrans-65.5-29.6175.1-75.2173.5000113.5E148 K150 A155E148-L152 WeakPolarHBondContact O-CB 3.42Å; E148-L152 WeakPolarHBondContact O-CG 3.21Å; E148-L152 PolarHBondContact O-N 3.48Å; K150-L152 VanDerWaalsContact C-N 3.34Å; K150-L152 PolarHBondContact O-N 3.43Å; L152-A155 VanDerWaalsContact O-O 3.06Å
153R78.4Confident86.7Confident198 Ų198106.5 Ų106.575%0.74751%0.511SS*.Hα-helixtrans-79.5-41.9175.1-77.1-170.8-67.7173.22112.3A149 K150 A151A149-R153 PolarHBondContact O-N 2.89Å; K150-R153 PolarHBondContact O-N 3.02Å; K150-R153 VanDerWaalsContact O-N 3.15Å; A151-R153 VanDerWaalsContact C-N 3.3Å; A151-R153 PolarHBondContact O-N 2.75Å
154V79Confident86.6Confident99 Ų99105 Ų10560%0.651%0.509SS*.Hα-helixtrans-69.7-45.3179.6172.30000110.6K150 A151 R156K150-V154 HydrophobicContact CG-CG2 4.32Å; K150-V154 WeakPolarHBondContact O-CG2 3.29Å; K150-V154 PolarHBondContact O-N 3.38Å; A151-V154 PolarHBondContact O-N 3.22Å; V154-R156 VanDerWaalsContact C-N 3.31Å; V154-R156 PolarHBondContact O-N 2.64Å
155A78.4Confident86.7Confident43 Ų43106 Ų10636%0.35552%0.516SS..SBendtrans-71.393.4171.300000107.4A151 L152 I157A151-A155 WeakPolarHBondContact O-CB 3.48Å; A151-A155 PolarHBondContact O-N 3.3Å; L152-A155 VanDerWaalsContact O-O 3.06Å; A155-I157 HydrophobicContact CB-CD1 4.01Å; A155-I157 HydrophobicContact CB-CG1 3.65Å; A155-I157 PolarHBondContact O-N 3.3Å
156R79.4Confident86.6Confident100 Ų100105.2 Ų105.238%0.37751%0.512SS..  trans-67.855.7168.9-65.2175.1174.7179.61.9109.7V154 E158 R159 T160 E207V154-R156 VanDerWaalsContact C-N 3.31Å; V154-R156 PolarHBondContact O-N 2.64Å; R156-E158 PolarHBondContact O-N 2.93Å; R156-R159 HydrophobicContact CB-CB 4.1Å; R156-R159 WeakPolarHBondContact O-CB 3.41Å; R156-R159 PolarHBondContact O-N 2.84Å; R156-T160 PolarHBondContact O-N 3.25Å; R156-E207 IonicContact NH1-OE1 2.74Å
157I81.1Confident86.5Confident92 Ų92102.7 Ų102.747%0.47251%0.508SS..Hα-helixtrans-56.5-41.2-171.7-64.4172.6000109.8A155 R159 T160 V161A155-I157 HydrophobicContact CB-CD1 4.01Å; A155-I157 HydrophobicContact CB-CG1 3.65Å; A155-I157 PolarHBondContact O-N 3.3Å; I157-R159 VanDerWaalsContact C-N 3.35Å; I157-R159 PolarHBondContact O-N 3.19Å; I157-T160 WeakPolarHBondContact CA-OG1 3.37Å; I157-T160 PolarHBondContact O-N 2.97Å; I157-T160 PolarHBondContact O-OG1 3.12Å; I157-V161 HydrophobicContact CG2-CG2 4.06Å; I157-V161 WeakPolarHBondContact O-CB 3.23Å; I157-V161 WeakPolarHBondContact O-CG2 3.23Å; I157-V161 PolarHBondContact O-N 3.1Å
158E83.7Confident86.3Confident173 Ų173104.5 Ų104.581%0.80852%0.515SS*.Hα-helixtrans-58.4-45.1177.6-64.9-178166.500112.1R156 V161 E162R156-E158 PolarHBondContact O-N 2.93Å; E158-V161 PolarHBondContact O-N 3.38Å; E158-E162 WeakPolarHBondContact O-CB 2.88Å; E158-E162 PolarHBondContact O-N 3.11Å
159R86.5Confident86.3Confident84 Ų84104.1 Ų104.132%0.31752%0.516SS..Hα-helixtrans-64.9-42.8177.2-159.5-171.9-131.5128.3-18.2111.4R156 I157 V161 E162 Q163 D200R156-R159 HydrophobicContact CB-CB 4.1Å; R156-R159 WeakPolarHBondContact O-CB 3.41Å; R156-R159 PolarHBondContact O-N 2.84Å; I157-R159 VanDerWaalsContact C-N 3.35Å; I157-R159 PolarHBondContact O-N 3.19Å; R159-V161 VanDerWaalsContact C-N 3.3Å; R159-V161 PolarHBondContact O-N 3.33Å; R159-E162 PolarHBondContact O-N 3.28Å; R159-Q163 WeakPolarHBondContact O-CG 3.35Å; R159-Q163 PolarHBondContact O-N 3.45Å; R159-D200 IonicContact NH2-OD1 2.67Å; R159-D200 PolarHBondContact NH2-OD1 2.76Å; R159-D200 VanDerWaalsContact NH2-OD1 3.1Å
160T87.7Confident86Confident76 Ų76109.5 Ų109.547%0.46653%0.526SS..Hα-helixtrans-63.5-37.2175.662.20000112.1R156 I157 E164R156-T160 PolarHBondContact O-N 3.25Å; I157-T160 WeakPolarHBondContact CA-OG1 3.37Å; I157-T160 PolarHBondContact O-N 2.97Å; I157-T160 PolarHBondContact O-OG1 3.12Å; T160-E164 WeakPolarHBondContact O-CB 3.5Å; T160-E164 PolarHBondContact O-N 2.86Å; T160-E164 VanDerWaalsContact O-N 3.1Å
161V87.6Confident85.7Confident74 Ų74107.1 Ų107.145%0.44853%0.53SS..Hα-helixtrans-69.3-40.9175.9169.30000110.5I157 E158 R159 E164 L165I157-V161 HydrophobicContact CG2-CG2 4.06Å; I157-V161 WeakPolarHBondContact O-CB 3.23Å; I157-V161 WeakPolarHBondContact O-CG2 3.23Å; I157-V161 PolarHBondContact O-N 3.1Å; E158-V161 PolarHBondContact O-N 3.38Å; R159-V161 VanDerWaalsContact C-N 3.3Å; R159-V161 PolarHBondContact O-N 3.33Å; V161-E164 PolarHBondContact O-N 3.3Å; V161-L165 HydrophobicContact CG1-CD1 3.93Å; V161-L165 HydrophobicContact CG1-CG 4.39Å; V161-L165 WeakPolarHBondContact O-CB 3.15Å; V161-L165 VanDerWaalsContact O-CG 3.23Å; V161-L165 WeakPolarHBondContact O-CG 3.07Å; V161-L165 PolarHBondContact O-N 3.25Å
162E89.4Confident85.3Confident115 Ų115108.3 Ų108.354%0.53754%0.535SS..Hα-helixtrans-61.5-47.8176-179173.8-162.900111.5E158 R159 E164 L165 L166E158-E162 WeakPolarHBondContact O-CB 2.88Å; E158-E162 PolarHBondContact O-N 3.11Å; R159-E162 PolarHBondContact O-N 3.28Å; E162-E164 PolarHBondContact O-N 3.21Å; E162-L165 PolarHBondContact O-N 3.45Å; E162-L166 HydrophobicContact CG-CD1 4.1Å; E162-L166 HydrophobicContact CG-CG 4.44Å; E162-L166 WeakPolarHBondContact O-CB 3.2Å; E162-L166 WeakPolarHBondContact O-CG 3.45Å; E162-L166 PolarHBondContact O-N 2.85Å
163Q90.5Very high84.7Confident114 Ų114106.3 Ų106.353%0.53353%0.528SS..Hα-helixtrans-59.4-46.2176.7-73.5174.2-1400111.9R159 L165 L166 E167R159-Q163 WeakPolarHBondContact O-CG 3.35Å; R159-Q163 PolarHBondContact O-N 3.45Å; Q163-L165 VanDerWaalsContact C-N 3.34Å; Q163-L165 PolarHBondContact O-N 2.9Å; Q163-L166 PolarHBondContact O-N 3.07Å; Q163-E167 WeakPolarHBondContact O-CB 3.41Å; Q163-E167 PolarHBondContact O-N 3.46Å
164E91.3Very high83.8Confident94 Ų94101.1 Ų101.144%0.43952%0.522SS..Hα-helixtrans-59.7-41.7174.4-87.9-82.8153.700112.6T160 V161 E162 E167 R168T160-E164 WeakPolarHBondContact O-CB 3.5Å; T160-E164 PolarHBondContact O-N 2.86Å; T160-E164 VanDerWaalsContact O-N 3.1Å; V161-E164 PolarHBondContact O-N 3.3Å; E162-E164 PolarHBondContact O-N 3.21Å; E164-E167 PolarHBondContact O-N 3.08Å; E164-R168 WeakPolarHBondContact O-CB 3.33Å; E164-R168 VanDerWaalsContact O-CG 3.25Å; E164-R168 WeakPolarHBondContact O-CG 3.37Å; E164-R168 PolarHBondContact O-N 3.31Å; E164-R168 IonicContact OE2-CZ 3.36Å; E164-R168 IonicContact OE2-NE 3.27Å; E164-R168 PolarHBondContact OE2-NE 3.12Å; E164-R168 IonicContact OE2-NH2 3.92Å; E164-R168 PolarHBondContact OE2-NH2 3.18Å
165L93.3Very high82.7Confident95 Ų95100 Ų10050%0.49752%0.519SS..Hα-helixtrans-67.7-41.2177.5-72.7172.6000111.5V161 E162 Q163 R168 L169V161-L165 HydrophobicContact CG1-CD1 3.93Å; V161-L165 HydrophobicContact CG1-CG 4.39Å; V161-L165 WeakPolarHBondContact O-CB 3.15Å; V161-L165 VanDerWaalsContact O-CG 3.23Å; V161-L165 WeakPolarHBondContact O-CG 3.07Å; V161-L165 PolarHBondContact O-N 3.25Å; E162-L165 PolarHBondContact O-N 3.45Å; Q163-L165 VanDerWaalsContact C-N 3.34Å; Q163-L165 PolarHBondContact O-N 2.9Å; L165-R168 PolarHBondContact O-N 2.88Å; L165-L169 WeakPolarHBondContact O-CB 3.42Å; L165-L169 WeakPolarHBondContact O-CG 3.35Å; L165-L169 PolarHBondContact O-N 2.84Å
166L90.4Very high81.8Confident81 Ų81108.2 Ų108.242%0.42455%0.546SS..Hα-helixtrans-64.2-42.1174.9-74174.7000111.4E162 Q163 L169 R170E162-L166 HydrophobicContact CG-CD1 4.1Å; E162-L166 HydrophobicContact CG-CG 4.44Å; E162-L166 WeakPolarHBondContact O-CB 3.2Å; E162-L166 WeakPolarHBondContact O-CG 3.45Å; E162-L166 PolarHBondContact O-N 2.85Å; Q163-L166 PolarHBondContact O-N 3.07Å; L166-L169 PolarHBondContact O-N 2.85Å; L166-R170 WeakPolarHBondContact O-CB 3.42Å; L166-R170 VanDerWaalsContact O-CG 3.27Å; L166-R170 WeakPolarHBondContact O-CG 3.37Å; L166-R170 PolarHBondContact O-N 3.48Å
167E90.8Very high81.1Confident129 Ų129110.1 Ų110.160%0.60356%0.56SS**Hα-helixtrans-64.6-41.8177.2-170.3174.1-17200111.3Q163 E164 R170 A171Q163-E167 WeakPolarHBondContact O-CB 3.41Å; Q163-E167 PolarHBondContact O-N 3.46Å; E164-E167 PolarHBondContact O-N 3.08Å; E167-R170 PolarHBondContact O-N 2.99Å; E167-A171 WeakPolarHBondContact O-CB 3.32Å; E167-A171 PolarHBondContact O-N 3.01Å
168R89.9Confident80.4Confident162 Ų162114 Ų11461%0.61158%0.579SS**Hα-helixtrans-63-42.1172.8-72.7174.6-164.5-1717.3112.3E164 L165 A171 S172E164-R168 WeakPolarHBondContact O-CB 3.33Å; E164-R168 VanDerWaalsContact O-CG 3.25Å; E164-R168 WeakPolarHBondContact O-CG 3.37Å; E164-R168 PolarHBondContact O-N 3.31Å; E164-R168 IonicContact OE2-CZ 3.36Å; E164-R168 IonicContact OE2-NE 3.27Å; E164-R168 PolarHBondContact OE2-NE 3.12Å; E164-R168 IonicContact OE2-NH2 3.92Å; E164-R168 PolarHBondContact OE2-NH2 3.18Å; L165-R168 PolarHBondContact O-N 2.88Å; R168-A171 PolarHBondContact O-N 3.42Å; R168-S172 WeakPolarHBondContact O-CB 3.43Å; R168-S172 PolarHBondContact O-N 3.26Å; R168-S172 PolarHBondContact O-OG 3.14Å
169L87.1Confident79.8Confident100 Ų100113.1 Ų113.152%0.52457%0.57SS.*Hα-helixtrans-62.4-47.3174.8-86.5159.9000110.8L165 L166 A171 S172 T173L165-L169 WeakPolarHBondContact O-CB 3.42Å; L165-L169 WeakPolarHBondContact O-CG 3.35Å; L165-L169 PolarHBondContact O-N 2.84Å; L166-L169 PolarHBondContact O-N 2.85Å; L169-A171 PolarHBondContact O-N 3.15Å; L169-S172 WeakPolarHBondContact CA-OG 3.22Å; L169-S172 PolarHBondContact O-N 2.82Å; L169-S172 VanDerWaalsContact O-N 3.14Å; L169-S172 PolarHBondContact O-OG 2.84Å; L169-T173 WeakPolarHBondContact O-CB 3.26Å; L169-T173 PolarHBondContact O-N 3.48Å; L169-T173 PolarHBondContact O-OG1 3.35Å
170R82.8Confident79.4Confident163 Ų163117.2 Ų117.262%0.61560%0.598SS**Hα-helixtrans-57.8-47.7174.9-75.2173.3178.6-178.1-2.4110.6L166 E167 S172 T173 S174L166-R170 WeakPolarHBondContact O-CB 3.42Å; L166-R170 VanDerWaalsContact O-CG 3.27Å; L166-R170 WeakPolarHBondContact O-CG 3.37Å; L166-R170 PolarHBondContact O-N 3.48Å; E167-R170 PolarHBondContact O-N 2.99Å; R170-S172 VanDerWaalsContact C-N 3.28Å; R170-S172 PolarHBondContact O-N 2.82Å; R170-T173 PolarHBondContact O-N 3.25Å; R170-S174 WeakPolarHBondContact O-CB 3.29Å; R170-S174 PolarHBondContact O-N 2.79Å; R170-S174 PolarHBondContact O-OG 3.33Å
171A82.6Confident78.7Confident78 Ų78118.4 Ų118.465%0.64560%0.6SS**Hα-helixtrans-61.1-36.2176.600000112.4E167 R168 L169E167-A171 WeakPolarHBondContact O-CB 3.32Å; E167-A171 PolarHBondContact O-N 3.01Å; R168-A171 PolarHBondContact O-N 3.42Å; L169-A171 PolarHBondContact O-N 3.15Å
172S78.7Confident78.4Confident82 Ų82119.9 Ų119.957%0.57361%0.606SS**Hα-helixtrans-74.3-34176.375.10000113.8R168 L169 R170R168-S172 WeakPolarHBondContact O-CB 3.43Å; R168-S172 PolarHBondContact O-N 3.26Å; R168-S172 PolarHBondContact O-OG 3.14Å; L169-S172 WeakPolarHBondContact CA-OG 3.22Å; L169-S172 PolarHBondContact O-N 2.82Å; L169-S172 VanDerWaalsContact O-N 3.14Å; L169-S172 PolarHBondContact O-OG 2.84Å; R170-S172 VanDerWaalsContact C-N 3.28Å; R170-S172 PolarHBondContact O-N 2.82Å
173T70.9Confident78Confident81 Ų81122 Ų12250%0.49762%0.615SS.*Hα-helixtrans-94.9-16.4-174.1-540000112.9L169 R170 S175L169-T173 WeakPolarHBondContact O-CB 3.26Å; L169-T173 PolarHBondContact O-N 3.48Å; L169-T173 PolarHBondContact O-OG1 3.35Å; R170-T173 PolarHBondContact O-N 3.25Å; T173-S175 PolarHBondContact O-N 2.86Å; T173-S175 PolarHBondContact O-OG 3.36Å
174S58.8Low77.8Confident89 Ų89120 Ų12062%0.62262%0.615SS**  trans-64.616.3176.5-66.50000114.3R170 K176R170-S174 WeakPolarHBondContact O-CB 3.29Å; R170-S174 PolarHBondContact O-N 2.79Å; R170-S174 PolarHBondContact O-OG 3.33Å; S174-K176 PolarHBondContact O-N 3.16Å; S174-K176 VanDerWaalsContact O-N 3.1Å
175S56.7Low77.3Confident75 Ų75118 Ų11852%0.52461%0.614SS.*  trans-44.3119.1149.532.10000109.3T173 E177T173-S175 PolarHBondContact O-N 2.86Å; T173-S175 PolarHBondContact O-OG 3.36Å; S175-E177 PolarHBondContact O-N 2.97Å
176K59.2Low76.6Confident216 Ų216119.3 Ų119.394%0.93962%0.616SS**  trans-73.548-162.3-150.4169.6-170.3174.30112.9S174S174-K176 PolarHBondContact O-N 3.16Å; S174-K176 VanDerWaalsContact O-N 3.1Å
177E63.8Low76.3Confident140 Ų140121.1 Ų121.165%0.65462%0.622SS**  trans-96.6121.9179.6-157.6105.3-14100108.7S175 Y179S175-E177 PolarHBondContact O-N 2.97Å; E177-Y179 HydrophobicContact CB-CE2 4.23Å; E177-Y179 WeakPolarHBondContact O-CD2 3.29Å; E177-Y179 PolarHBondContact O-N 3.38Å
178I67.8Low76Confident173 Ų173122.2 Ų122.289%0.88763%0.625SS**  trans-77.5110178.7-60.4167.7000107.2
179Y69.9Low75.7Confident155 Ų155117.3 Ų117.361%0.60862%0.619SS**  trans-85.1133.6175.9-66.8-76.6000111E177 I181E177-Y179 HydrophobicContact CB-CE2 4.23Å; E177-Y179 WeakPolarHBondContact O-CD2 3.29Å; E177-Y179 PolarHBondContact O-N 3.38Å; Y179-I181 VanDerWaalsContact C-N 3.32Å; Y179-I181 PolarHBondContact O-N 2.89Å; Y179-I181 VanDerWaalsContact O-N 3.13Å
180N77.6Confident75.4Confident169 Ų169115.8 Ų115.890%0.90461%0.611SS**  trans-8281.5168.3-174.731.1000108.9
181I74.6Confident75.2Confident101 Ų101113.3 Ų113.352%0.51861%0.606SS.*  trans-80.8137.6176.6-54.8171.9000107.8Y179 Q183 A185Y179-I181 VanDerWaalsContact C-N 3.32Å; Y179-I181 PolarHBondContact O-N 2.89Å; Y179-I181 VanDerWaalsContact O-N 3.13Å; I181-Q183 PolarHBondContact O-N 2.81Å; I181-A185 HydrophobicContact CG2-CB 4.34Å
182D81.2Confident75.2Confident106 Ų106111.8 Ų111.857%0.56759%0.593SS**  trans-58.4131.8174.7-175.916.6000110.1S184 A185 F186D182-S184 PolarHBondContact O-N 3.47Å; D182-S184 PolarHBondContact OD2-OG 3.33Å; D182-A185 HydrophobicContact CB-CB 4.41Å; D182-A185 PolarHBondContact O-N 3.1Å; D182-F186 PolarHBondContact O-N 2.75Å
183Q81.1Confident75Confident158 Ų158112.5 Ų112.574%0.73859%0.588SS**Hα-helixtrans-55.6-39.8-176.8-74.7-179.5-25.100111I181 A185 F186 E187I181-Q183 PolarHBondContact O-N 2.81Å; Q183-A185 VanDerWaalsContact C-N 3.29Å; Q183-A185 PolarHBondContact O-N 3.47Å; Q183-F186 PolarHBondContact O-N 2.98Å; Q183-E187 WeakPolarHBondContact O-CB 3.29Å; Q183-E187 PolarHBondContact O-N 3Å
184S85Confident75Confident74 Ų74113.3 Ų113.352%0.51759%0.586SS.*Hα-helixtrans-62.3-35.6179.476.20000113.3D182 K188D182-S184 PolarHBondContact O-N 3.47Å; D182-S184 PolarHBondContact OD2-OG 3.33Å; S184-K188 WeakPolarHBondContact O-CB 3.41Å; S184-K188 PolarHBondContact O-N 2.73Å
185A82.2Confident75.4Confident51 Ų51114.1 Ų114.142%0.42158%0.582SS.*Hα-helixtrans-77.3-34.5177.900000111.7I181 D182 Q183 A189I181-A185 HydrophobicContact CG2-CB 4.34Å; D182-A185 HydrophobicContact CB-CB 4.41Å; D182-A185 PolarHBondContact O-N 3.1Å; Q183-A185 VanDerWaalsContact C-N 3.29Å; Q183-A185 PolarHBondContact O-N 3.47Å; A185-A189 WeakPolarHBondContact O-CB 3.43Å; A185-A189 PolarHBondContact O-N 2.92Å; A185-A189 VanDerWaalsContact O-N 3.12Å
186F78.8Confident75.5Confident122 Ų122115.2 Ų115.254%0.53558%0.582SS.*Hα-helixtrans-66.9-47.4174.9-178.8-96.8000111.5D182 Q183 K188 A189 L190D182-F186 PolarHBondContact O-N 2.75Å; Q183-F186 PolarHBondContact O-N 2.98Å; F186-K188 VanDerWaalsContact C-N 3.31Å; F186-K188 PolarHBondContact O-N 3.37Å; F186-A189 WeakPolarHBondContact O-CB 3.28Å; F186-A189 PolarHBondContact O-N 3.39Å; F186-L190 HydrophobicContact CE1-CD1 4.38Å; F186-L190 HydrophobicContact CZ-CD1 4.37Å; F186-L190 PolarHBondContact O-N 3.37Å
187E83.4Confident75.6Confident120 Ų120110.2 Ų110.256%0.56156%0.562SS**Hα-helixtrans-63.1-39.8-179.5-150.9151-148.500110.9Q183 A189 L190 E191Q183-E187 WeakPolarHBondContact O-CB 3.29Å; Q183-E187 PolarHBondContact O-N 3Å; E187-A189 VanDerWaalsContact C-N 3.34Å; E187-A189 PolarHBondContact O-N 3.42Å; E187-L190 WeakPolarHBondContact O-CB 3.36Å; E187-L190 PolarHBondContact O-N 3.32Å; E187-E191 WeakPolarHBondContact O-CG 3.46Å; E187-E191 PolarHBondContact O-N 2.85Å
188K84.7Confident75.1Confident152 Ų152109.9 Ų109.966%0.66156%0.561SS**Hα-helixtrans-64.4-35.2172.1-174.3176.1-177.9178.50113.6S184 F186 A192S184-K188 WeakPolarHBondContact O-CB 3.41Å; S184-K188 PolarHBondContact O-N 2.73Å; F186-K188 VanDerWaalsContact C-N 3.31Å; F186-K188 PolarHBondContact O-N 3.37Å; K188-A192 WeakPolarHBondContact O-CB 3.27Å; K188-A192 PolarHBondContact O-N 2.84Å; K188-A192 VanDerWaalsContact O-N 3.14Å
189A82.7Confident74.6Confident58 Ų58102.9 Ų102.948%0.47953%0.527SS..Hα-helixtrans-72.5-36.6175.900000111.1A185 F186 E187 A192 E193A185-A189 WeakPolarHBondContact O-CB 3.43Å; A185-A189 PolarHBondContact O-N 2.92Å; A185-A189 VanDerWaalsContact O-N 3.12Å; F186-A189 WeakPolarHBondContact O-CB 3.28Å; F186-A189 PolarHBondContact O-N 3.39Å; E187-A189 VanDerWaalsContact C-N 3.34Å; E187-A189 PolarHBondContact O-N 3.42Å; A189-A192 PolarHBondContact O-N 2.9Å; A189-E193 PolarHBondContact O-N 2.92Å
190L81Confident73.8Confident69 Ų6998.6 Ų98.636%0.36152%0.515SS..Hα-helixtrans-63.5-49.3174.1-162.886.2000110.8F186 E187 A192 E193 E194F186-L190 HydrophobicContact CE1-CD1 4.38Å; F186-L190 HydrophobicContact CZ-CD1 4.37Å; F186-L190 PolarHBondContact O-N 3.37Å; E187-L190 WeakPolarHBondContact O-CB 3.36Å; E187-L190 PolarHBondContact O-N 3.32Å; L190-A192 PolarHBondContact O-N 3.36Å; L190-E193 PolarHBondContact O-N 3.34Å; L190-E193 VanDerWaalsContact O-N 3.07Å; L190-E194 WeakPolarHBondContact O-CB 3.25Å; L190-E194 WeakPolarHBondContact O-CG 3.18Å; L190-E194 PolarHBondContact O-N 3.43Å
191E79.3Confident72.5Confident111 Ų11196.7 Ų96.752%0.51950%0.5SS..Hα-helixtrans-57-39.5174.2-73.4174.4179.500111.3E187 I195E187-E191 WeakPolarHBondContact O-CG 3.46Å; E187-E191 PolarHBondContact O-N 2.85Å; E191-I195 WeakPolarHBondContact O-CB 3.49Å; E191-I195 VanDerWaalsContact O-CD1 3.22Å; E191-I195 WeakPolarHBondContact O-CD1 3.36Å; E191-I195 WeakPolarHBondContact O-CG1 3.16Å; E191-I195 PolarHBondContact O-N 3.16Å
192A81.3Confident71.4Confident45 Ų4598.2 Ų98.237%0.37251%0.505SS..Hα-helixtrans-71.7-31.1177.500000113.4K188 A189 L190 N196K188-A192 WeakPolarHBondContact O-CB 3.27Å; K188-A192 PolarHBondContact O-N 2.84Å; K188-A192 VanDerWaalsContact O-N 3.14Å; A189-A192 PolarHBondContact O-N 2.9Å; L190-A192 PolarHBondContact O-N 3.36Å; A192-N196 WeakPolarHBondContact O-CB 3.26Å; A192-N196 PolarHBondContact O-N 2.8Å; A192-N196 PolarHBondContact O-ND2 3.4Å
193E75.3Confident69.9Low97 Ų9798 Ų9845%0.45350%0.497SS..Hα-helixtrans-73.4-44173.6-164.9168.3-146.300110.4A189 L190 I195 N196 E197A189-E193 PolarHBondContact O-N 2.92Å; L190-E193 PolarHBondContact O-N 3.34Å; L190-E193 VanDerWaalsContact O-N 3.07Å; E193-I195 VanDerWaalsContact C-N 3.33Å; E193-I195 PolarHBondContact O-N 3.46Å; E193-N196 CarbonylContact O-C 3.55Å; E193-N196 WeakPolarHBondContact O-CA 3.19Å; E193-N196 WeakPolarHBondContact O-CB 3.27Å; E193-N196 PolarHBondContact O-N 3.36Å; E193-E197 WeakPolarHBondContact O-CB 3.46Å; E193-E197 WeakPolarHBondContact O-CG 3.39Å; E193-E197 PolarHBondContact O-N 2.89Å
194E69.8Low68.3Low99 Ų9996.6 Ų96.646%0.46349%0.49SS..Hα-helixtrans-58.1-43.6172.4-72.5176.1177.400111.3L190 N196 E197 E198L190-E194 WeakPolarHBondContact O-CB 3.25Å; L190-E194 WeakPolarHBondContact O-CG 3.18Å; L190-E194 PolarHBondContact O-N 3.43Å; E194-N196 VanDerWaalsContact C-N 3.32Å; E194-N196 PolarHBondContact O-N 3.04Å; E194-E197 PolarHBondContact O-N 2.91Å; E194-E198 WeakPolarHBondContact O-CB 3.03Å; E194-E198 WeakPolarHBondContact O-CG 3.48Å; E194-E198 PolarHBondContact O-N 3.39Å
195I68.1Low66.4Low105 Ų105100.3 Ų100.354%0.53850%0.499SS..Hα-helixtrans-65.3-36.9175-68.5160.9000111.3E191 E193 S199E191-I195 WeakPolarHBondContact O-CB 3.49Å; E191-I195 VanDerWaalsContact O-CD1 3.22Å; E191-I195 WeakPolarHBondContact O-CD1 3.36Å; E191-I195 WeakPolarHBondContact O-CG1 3.16Å; E191-I195 PolarHBondContact O-N 3.16Å; E193-I195 VanDerWaalsContact C-N 3.33Å; E193-I195 PolarHBondContact O-N 3.46Å; I195-S199 VanDerWaalsContact O-CB 3.29Å; I195-S199 WeakPolarHBondContact O-CB 3.29Å; I195-S199 PolarHBondContact O-N 3.48Å
196N59.3Low64.8Low98 Ų98102.5 Ų102.552%0.52450%0.504SS..Hα-helixtrans-70.6-39.9176.7-84-19.9000111.5A192 E193 E194 S199 D200A192-N196 WeakPolarHBondContact O-CB 3.26Å; A192-N196 PolarHBondContact O-N 2.8Å; A192-N196 PolarHBondContact O-ND2 3.4Å; E193-N196 CarbonylContact O-C 3.55Å; E193-N196 WeakPolarHBondContact O-CA 3.19Å; E193-N196 WeakPolarHBondContact O-CB 3.27Å; E193-N196 PolarHBondContact O-N 3.36Å; E194-N196 VanDerWaalsContact C-N 3.32Å; E194-N196 PolarHBondContact O-N 3.04Å; N196-S199 CarbonylContact O-C 3.55Å; N196-S199 PolarHBondContact O-N 3.19Å; N196-S199 PolarHBondContact O-OG 2.92Å; N196-D200 VanDerWaalsContact O-CB 3.31Å; N196-D200 WeakPolarHBondContact O-CB 3.46Å; N196-D200 PolarHBondContact O-N 3.1Å
197E60.2Low63.2Low112 Ų112101.7 Ų101.752%0.52350%0.502SS..Hα-helixtrans-64.2-46.9174.9-74.1-179.4172.500110.7E193 E194 S199 D200 E201E193-E197 WeakPolarHBondContact O-CB 3.46Å; E193-E197 WeakPolarHBondContact O-CG 3.39Å; E193-E197 PolarHBondContact O-N 2.89Å; E194-E197 PolarHBondContact O-N 2.91Å; E197-S199 VanDerWaalsContact C-N 3.28Å; E197-S199 PolarHBondContact O-N 3.35Å; E197-D200 PolarHBondContact O-N 2.93Å; E197-E201 WeakPolarHBondContact O-CB 3.3Å; E197-E201 WeakPolarHBondContact O-CG 3.34Å; E197-E201 PolarHBondContact O-N 3.4Å
198E54.8Low61.3Low133 Ų133104.1 Ų104.162%0.62151%0.513SS*.Hα-helixtrans-60.1-38.7172.4-76.2-178.1170.200111.5E194 E202E194-E198 WeakPolarHBondContact O-CB 3.03Å; E194-E198 WeakPolarHBondContact O-CG 3.48Å; E194-E198 PolarHBondContact O-N 3.39Å; E198-E202 WeakPolarHBondContact O-CB 3.37Å; E198-E202 PolarHBondContact O-N 3.02Å
199S56Low59.3Low25 Ų25104.4 Ų104.418%0.17552%0.517CS..Hα-helixtrans-69.2-42.6175.293.30000111.4I195 N196 E197 E201 E202 Y203I195-S199 VanDerWaalsContact O-CB 3.29Å; I195-S199 WeakPolarHBondContact O-CB 3.29Å; I195-S199 PolarHBondContact O-N 3.48Å; N196-S199 CarbonylContact O-C 3.55Å; N196-S199 PolarHBondContact O-N 3.19Å; N196-S199 PolarHBondContact O-OG 2.92Å; E197-S199 VanDerWaalsContact C-N 3.28Å; E197-S199 PolarHBondContact O-N 3.35Å; S199-E201 VanDerWaalsContact C-N 3.29Å; S199-E201 PolarHBondContact O-N 3.3Å; S199-E202 PolarHBondContact O-N 3.48Å; S199-Y203 WeakPolarHBondContact O-CB 3.39Å; S199-Y203 WeakPolarHBondContact O-CD2 3.5Å; S199-Y203 WeakPolarHBondContact O-CE2 3.38Å; S199-Y203 PolarHBondContact O-N 2.54Å; S199-Y203 WeakPolarHBondContact OG-CE2 3.15Å
200D54.1Low57.4Low66 Ų66106.8 Ų106.835%0.35352%0.521SS..Hα-helixtrans-65.8-34.3179-80.2-24.4000110.4R159 N196 E197 Y203 E204R159-D200 IonicContact NH2-OD1 2.67Å; R159-D200 PolarHBondContact NH2-OD1 2.76Å; R159-D200 VanDerWaalsContact NH2-OD1 3.1Å; N196-D200 VanDerWaalsContact O-CB 3.31Å; N196-D200 WeakPolarHBondContact O-CB 3.46Å; N196-D200 PolarHBondContact O-N 3.1Å; E197-D200 PolarHBondContact O-N 2.93Å; D200-Y203 CarbonylContact O-C 3.58Å; D200-Y203 PolarHBondContact O-N 2.84Å; D200-E204 WeakPolarHBondContact O-CB 3.49Å; D200-E204 WeakPolarHBondContact O-CG 3.33Å; D200-E204 PolarHBondContact O-N 3.13Å
201E50.3Low55.3Low128 Ų128108.4 Ų108.460%0.59853%0.533SS*.Hα-helixtrans-66.6-44.3170.3-75.2-179.7174.700112.3E197 S199 Y203 E204 E205E197-E201 WeakPolarHBondContact O-CB 3.3Å; E197-E201 WeakPolarHBondContact O-CG 3.34Å; E197-E201 PolarHBondContact O-N 3.4Å; S199-E201 VanDerWaalsContact C-N 3.29Å; S199-E201 PolarHBondContact O-N 3.3Å; E201-Y203 PolarHBondContact O-N 3.32Å; E201-E204 PolarHBondContact O-N 3.43Å; E201-E204 VanDerWaalsContact O-N 3.13Å; E201-E205 PolarHBondContact O-N 3.25Å
202E50.4Low53.6Low134 Ų134113.6 Ų113.663%0.62655%0.55SS*.Hα-helixtrans-64.8-30.9174.2-161.9174.2-159.200111.3E198 S199 D206E198-E202 WeakPolarHBondContact O-CB 3.37Å; E198-E202 PolarHBondContact O-N 3.02Å; S199-E202 PolarHBondContact O-N 3.48Å; E202-D206 PolarHBondContact O-N 3.2Å
203Y49.6Very low51.6Low102 Ų102116.6 Ų116.640%0.456%0.564SS.*Hα-helixtrans-78.8-23.1172.5-63.7-53.1000113.9S199 D200 E201 E207S199-Y203 WeakPolarHBondContact O-CB 3.39Å; S199-Y203 WeakPolarHBondContact O-CD2 3.5Å; S199-Y203 WeakPolarHBondContact O-CE2 3.38Å; S199-Y203 PolarHBondContact O-N 2.54Å; S199-Y203 WeakPolarHBondContact OG-CE2 3.15Å; D200-Y203 CarbonylContact O-C 3.58Å; D200-Y203 PolarHBondContact O-N 2.84Å; E201-Y203 PolarHBondContact O-N 3.32Å; Y203-E207 PolarHBondContact O-N 2.98Å
204E48.1Very low50.2Low127 Ų127118 Ų11859%0.59358%0.584SS**Hα-helixtrans-75.3-34.9171.8-82.9-172.2-178.500111.2D200 E201 D206 E207 E208D200-E204 WeakPolarHBondContact O-CB 3.49Å; D200-E204 WeakPolarHBondContact O-CG 3.33Å; D200-E204 PolarHBondContact O-N 3.13Å; E201-E204 PolarHBondContact O-N 3.43Å; E201-E204 VanDerWaalsContact O-N 3.13Å; E204-D206 VanDerWaalsContact C-N 3.29Å; E204-D206 PolarHBondContact O-N 2.95Å; E204-E207 WeakPolarHBondContact O-CA 3.27Å; E204-E207 WeakPolarHBondContact O-CB 3.5Å; E204-E207 PolarHBondContact O-N 2.81Å; E204-E208 PolarHBondContact O-N 3.18Å
205E45.3Very low48.8Very low152 Ų152115.7 Ų115.771%0.7159%0.587SS**Hα-helixtrans-63.8-35.8171.2-71.9-169.6166.500111.7E201 E207 E208E201-E205 PolarHBondContact O-N 3.25Å; E205-E207 VanDerWaalsContact C-N 3.27Å; E205-E207 PolarHBondContact O-N 3.34Å; E205-E208 PolarHBondContact O-N 2.86Å
206D48Very low47.5Very low98 Ų98115 Ų11552%0.52459%0.591SS.*Hα-helixtrans-67.2-23.1170.1-80.7-20.5000113E202 E204E202-D206 PolarHBondContact O-N 3.2Å; E204-D206 VanDerWaalsContact C-N 3.29Å; E204-D206 PolarHBondContact O-N 2.95Å
207E46.4Very low46.9Very low105 Ų105118.1 Ų118.149%0.49161%0.608SS.*Hα-helixtrans-72.4-29173.9-81.6-175.8176.700112.5R156 Y203 E204 E205 I210R156-E207 IonicContact NH1-OE1 2.74Å; Y203-E207 PolarHBondContact O-N 2.98Å; E204-E207 WeakPolarHBondContact O-CA 3.27Å; E204-E207 WeakPolarHBondContact O-CB 3.5Å; E204-E207 PolarHBondContact O-N 2.81Å; E205-E207 VanDerWaalsContact C-N 3.27Å; E205-E207 PolarHBondContact O-N 3.34Å; E207-I210 PolarHBondContact O-N 3.19Å
208E42.8Very low46.1Very low170 Ų170118.3 Ų118.379%0.79462%0.616SS**Hα-helixtrans-73.5-27.7174.1-68.3-162.9158.800112.7E204 E205 I210E204-E208 PolarHBondContact O-N 3.18Å; E205-E208 PolarHBondContact O-N 2.86Å; E208-I210 VanDerWaalsContact C-N 3.28Å; E208-I210 PolarHBondContact O-N 3.11Å
209E43Very low45.4Very low159 Ų159119.7 Ų119.774%0.74362%0.623SS**THydrogen-bonded Turntrans-80.7-5.1175.3-154.1176.3-165.200113.5V211E209-V211 PolarHBondContact O-N 2.67Å
210I41.6Very low44.9Very low107 Ų107126.4 Ų126.455%0.54966%0.657SS.*SBendtrans-76.356.5162.7-47.7175.1000108.8E207 E208 Y212E207-I210 PolarHBondContact O-N 3.19Å; E208-I210 VanDerWaalsContact C-N 3.28Å; E208-I210 PolarHBondContact O-N 3.11Å; I210-Y212 PolarHBondContact O-N 2.65Å
211V37.5Very low44.5Very low104 Ų104130.7 Ų130.763%0.6368%0.678SS**  trans-51.4116.9170170.50000107.5E209 T213E209-V211 PolarHBondContact O-N 2.67Å; V211-T213 PolarHBondContact O-N 2.92Å
212Y43Very low44.1Very low220 Ų220133.3 Ų133.386%0.86369%0.69SS**  trans-55.881168-62.8-94.7000109.3I210 S214I210-Y212 PolarHBondContact O-N 2.65Å; Y212-S214 PolarHBondContact O-N 2.67Å
213T40.3Very low43.8Very low108 Ų108134.5 Ų134.566%0.66370%0.701SS**  trans-68.681.4160.4162.60000107V211 G215V211-T213 PolarHBondContact O-N 2.92Å; T213-G215 PolarHBondContact O-N 3.23Å; T213-G215 VanDerWaalsContact O-N 3.11Å
214S45.8Very low43.3Very low127 Ų127137.9 Ų137.989%0.88872%0.724SS**THydrogen-bonded Turntrans-71.724.1164.4-178.30000111.1Y212Y212-S214 PolarHBondContact O-N 2.67Å
215G40.3Very low42.5Very low50 Ų50134.8 Ų134.852%0.51573%0.726SS.*THydrogen-bonded Turntrans-131.4-6.3-163.100000117.4T213 D217T213-G215 PolarHBondContact O-N 3.23Å; T213-G215 VanDerWaalsContact O-N 3.11Å; G215-D217 VanDerWaalsContact C-N 3.28Å; G215-D217 PolarHBondContact O-N 3.46Å
216S40.9Very low42Very low91 Ų91133.8 Ų133.864%0.63673%0.73SS**  trans-91.630.5-176.3-162.60000114.1V218S216-V218 VanDerWaalsContact C-N 3.3Å
217D46.3Very low41.3Very low162 Ų162136.4 Ų136.487%0.86674%0.743SS**SBendtrans-89.516.9170.2-92.6-25.8000112.8G215G215-D217 VanDerWaalsContact C-N 3.28Å; G215-D217 PolarHBondContact O-N 3.46Å
218V44Very low40.5Very low116 Ų116138.1 Ų138.170%0.70376%0.755SS**SBendtrans-124.1-4.3-174.6-1420000116.8S216S216-V218 VanDerWaalsContact C-N 3.3Å
219E39.9Very low40.1Very low163 Ų163138.2 Ų138.276%0.76276%0.756SS**SBendtrans-109.113.4-171.7-67.2-171.3176.100116.5
220D44.3Very low39.3Very low166 Ų166139.5 Ų139.589%0.88876%0.761SS**SBendtrans-99.913.8173-82.3-10.5000113.4
221I47.7Very low38.8Very low155 Ų155139.1 Ų139.180%0.79577%0.769SS**SBendtrans-99.23.3175.9-83.3173.4000113.5
222E40.1Very low38.5Very low184 Ų184143.5 Ų143.586%0.8678%0.782SS**  trans-109.734.3-176.9-63.9-165.4167.200115.1
223D44Very low37.9Very low159 Ų159142.1 Ų142.185%0.8578%0.784SS**  trans-124.631.3168.5-146.414.2000113
224I39.6Very low37.5Very low173 Ų173145.7 Ų145.789%0.88779%0.793SS**  trans-115.879.2160.7-79.4168.5000106.9
225G30.8Very low36.7Very low61 Ų61149.4 Ų149.463%0.62980%0.796SS**  trans-136102.6174.700000111.1
226V36Very low36.4Very low131 Ų131151.3 Ų151.379%0.79481%0.807SS**  trans64.884.9143-164.30000115D228V226-D228 PolarHBondContact O-N 2.94Å
227I33.9Very low36Very low154 Ų154155.7 Ų155.779%0.7982%0.817SS**  7.590.394.9-51.2172.2000112.8
228D29.4Very low35.3Very low140 Ų140155.7 Ų155.775%0.74981%0.812SS**  179.9160.3126.1-93.1-26.3000112.4V226V226-D228 PolarHBondContact O-N 2.94Å
229E33.5Very low34.9Very low173 Ų173156.8 Ų156.881%0.80881%0.814SS**  trans89.486.9173.9-52.6-175.3-178.300114.2
230E27.4Very low34.8Very low185 Ų185156.1 Ų156.186%0.86482%0.815SS**  59126.784.5-64.4-173.217300110.4
231S29.3Very low34.8Very low100 Ų100153.7 Ų153.770%0.69981%0.806SS**  cis176.9117.712.9440000104.7
232E32.9Very low34.7Very low195 Ų195154 Ų15491%0.91181%0.808SS**  trans-140.797.6159.2-72.6-167.2165.800108.1E234E232-E234 PolarHBondContact O-N 2.78Å
233E29.2Very low35.1Very low192 Ų192151.3 Ų151.390%0.89780%0.804SS**  trans-67.1106.2168.4-66.1175.215800108.7
234E32.5Very low35.6Very low182 Ų182150.7 Ų150.785%0.8580%0.801SS**  trans-125.297.7156.8-73.3-160.916200109.2E232 A236E232-E234 PolarHBondContact O-N 2.78Å; E234-A236 PolarHBondContact O-N 3.18Å; E234-A236 VanDerWaalsContact O-N 3.14Å
235E28.5Very low36.2Very low205 Ų205148.1 Ų148.196%0.95880%0.795SS**  trans-62.9104.2164.8-68.9-166.1152.200109.4
236A34.3Very low37.6Very low91 Ų91154.5 Ų154.575%0.75281%0.806SS**  trans-134.499.1167.600000110.7E234E234-A236 PolarHBondContact O-N 3.18Å; E234-A236 VanDerWaalsContact O-N 3.14Å
237E32Very low38.8Very low182 Ų182157.2 Ų157.285%0.8581%0.807SS**  trans33.5113.3154-63.7-170.5156.900119.3N239E237-N239 VanDerWaalsContact C-N 3.29Å; E237-N239 PolarHBondContact O-N 3Å
238H32.2Very low40.2Very low163 Ų163159 Ų15976%0.75581%0.809SS**  trans-49.777.8171-178.3-84000113.6
239N36.5Very low41.8Very low139 Ų139162.4 Ų162.474%0.74381%0.812SS**  trans-80.2114.9158.5-86.3-43.8000108E237 V241E237-N239 VanDerWaalsContact C-N 3.29Å; E237-N239 PolarHBondContact O-N 3Å; N239-V241 PolarHBondContact O-N 3.36Å
240L37.6Very low43.4Very low149 Ų149159.3 Ų159.378%0.7880%0.795SS**  trans-61.274.7170.4-88.2140.4000109.5L242L240-L242 PolarHBondContact O-N 3.03Å
241V44.5Very low45.4Very low115 Ų115153.8 Ų153.870%0.69777%0.774SS**  trans-65.4111.2169.71780000105.8N239 T243N239-V241 PolarHBondContact O-N 3.36Å; V241-T243 VanDerWaalsContact C-N 3.29Å; V241-T243 PolarHBondContact O-N 3.13Å
242L43.7Very low47.5Very low160 Ų160151.5 Ų151.584%0.83876%0.756SS**  trans-51.798.4167.9-66.9170.5000107.4L240 N244L240-L242 PolarHBondContact O-N 3.03Å; L242-N244 PolarHBondContact O-N 3.35Å
243T49.4Very low49.2Very low128 Ų128145.8 Ų145.879%0.78573%0.731SS**  trans-59.1114.4-177.755.80000107.6V241V241-T243 VanDerWaalsContact C-N 3.29Å; V241-T243 PolarHBondContact O-N 3.13Å
244N53.9Low51.1Low147 Ų147141.3 Ų141.379%0.78671%0.71SS**  trans-48.4131.6176-79.7-32.5000109.3L242 K246L242-N244 PolarHBondContact O-N 3.35Å; N244-K246 PolarHBondContact O-N 3.25Å
245P52.7Low52.9Low118 Ų118137.7 Ų137.777%0.76669%0.689SS**  trans-57.7117.1-173.621.4-31.5000109.2K247P245-K247 PolarHBondContact O-N 2.9Å; P245-K247 VanDerWaalsContact O-N 3.1Å
246K60.2Low54.6Low196 Ų196133.4 Ų133.485%0.85267%0.669SS**  trans-45.6121.3178.8-69.6-176.4177.3-177.60108.7N244 K248N244-K246 PolarHBondContact O-N 3.25Å; K246-K248 PolarHBondContact O-N 2.97Å
247K62.1Low55.8Low188 Ų188138.2 Ų138.282%0.81767%0.673SS**  trans-47.8105.4-177.3-71.8177.9179.6173.20109.1P245P245-K247 PolarHBondContact O-N 2.9Å; P245-K247 VanDerWaalsContact O-N 3.1Å
248K62.3Low57.2Low191 Ų191137 Ų13783%0.8367%0.672SS**PPolyproline II helixtrans-60.7140.3-178.6-68.7-178.2179.81770109.5K246 K250K246-K248 PolarHBondContact O-N 2.97Å; K248-K250 PolarHBondContact O-N 3.23Å
249R62.7Low57.8Low212 Ų212141.9 Ų141.980%0.870%0.696SS**PPolyproline II helixtrans-59.3133.4173.8-74.2178.2147.8-178-8109.2V251R249-V251 PolarHBondContact O-N 3.33Å
250K67.9Low58.9Low108 Ų108142.1 Ų142.147%0.4769%0.693SS.*PPolyproline II helixtrans-66.3127.5169.6-72.2-174.8-178.5179.20107.6E141 K248E141-K250 IonicContact OE1-NZ 3.01Å; E141-K250 PolarHBondContact OE1-NZ 3.28Å; E141-K250 IonicContact OE2-NZ 2.92Å; K248-K250 PolarHBondContact O-N 3.23Å
251V69.6Low60Low69 Ų69141.7 Ų141.742%0.41869%0.689SS.*EExtended strand (participates in β ladder)trans-128.9125.7178.4179.70000107L133 R249L133-V251 HydrophobicContact CB-CG1 3.82Å; L133-V251 HydrophobicContact CD2-CG1 3.87Å; L133-V251 HydrophobicContact CG-CG1 4.35Å; R249-V251 PolarHBondContact O-N 3.33Å
252T73Confident60.8Low51 Ų51143.2 Ų143.231%0.31369%0.688SS.*EExtended strand (participates in β ladder)trans-86.9126.9172.3-45.40000107.8E134 I136 H254E134-T252 PolarHBondContact N-O 3.1Å; E134-T252 PolarHBondContact O-N 3.27Å; I136-T252 WeakPolarHBondContact CD1-OG1 3.43Å; I136-T252 WeakPolarHBondContact CG1-OG1 3.31Å; T252-H254 WeakPolarHBondContact CG2-NE2 3.42Å; T252-H254 PolarHBondContact O-N 3.12Å
253I69.2Low61.8Low76 Ų76142.2 Ų142.239%0.3968%0.679SS.*EExtended strand (participates in β ladder)trans-91.694.5178.3-56178.7000106.7K131 L133 Y255K131-I253 HydrophobicContact CB-CG2 3.89Å; K131-I253 HydrophobicContact CD-CG2 3.77Å; K131-I253 HydrophobicContact CG-CG2 3.73Å; L133-I253 HydrophobicContact CD2-CG1 3.9Å; I253-Y255 HydrophobicContact CG2-CD2 4.31Å; I253-Y255 HydrophobicContact CG2-CE2 4.03Å
254H68.3Low62.6Low97 Ų97143.1 Ų143.145%0.44967%0.673SS.*EExtended strand (participates in β ladder)trans-85.8150.4162.3-68-65.4000108.5K132 E134 T252K132-H254 PolarHBondContact N-O 2.85Å; K132-H254 PolarHBondContact O-N 3.11Å; E134-H254 IonicContact OE2-CD2 2.67Å; T252-H254 WeakPolarHBondContact CG2-NE2 3.42Å; T252-H254 PolarHBondContact O-N 3.12Å
255Y70.8Confident63.2Low106 Ų106142.8 Ų142.842%0.41667%0.665SS.*EExtended strand (participates in β ladder)trans-123.3136.2174.9-35.7-127.7000107.3R129 K131 I253 K257R129-Y255 HydrophobicContact CG-CD1 4Å; R129-Y255 VanDerWaalsContact CZ-CG 3.49Å; R129-Y255 PolarHBondContact NH2-O 3.21Å; K131-Y255 HydrophobicContact CG-CD1 4.11Å; K131-Y255 HydrophobicContact CG-CE1 4.01Å; I253-Y255 HydrophobicContact CG2-CD2 4.31Å; I253-Y255 HydrophobicContact CG2-CE2 4.03Å; Y255-K257 PolarHBondContact O-N 3.14Å
256E63.2Low63.9Low116 Ų116144.6 Ų144.654%0.54266%0.658SS.*PPolyproline II helixtrans-54132.1-179.7-69.2173.4169.400108.5R129R129-E256 VanDerWaalsContact CZ-O 3.27Å; R129-E256 PolarHBondContact NE-O 3.25Å; R129-E256 PolarHBondContact NH2-O 3.4Å
257K59.8Low64.2Low192 Ų192140.6 Ų140.684%0.83564%0.643SS**PPolyproline II helixtrans-86.6133.9170.7-75.3-179176.8177.60106.1Y255 E259Y255-K257 PolarHBondContact O-N 3.14Å; K257-E259 PolarHBondContact O-N 3.42Å
258D60.6Low64.4Low157 Ų157136.7 Ų136.784%0.8463%0.628SS**PPolyproline II helixtrans-62.2125.4176.3-58.2-43.1000109
259E45.6Very low64.6Low265 Ų265131.7 Ų131.7100%1.23861%0.61SS**  trans-79.40154.3-72-178.9170.800108.9K257K257-E259 PolarHBondContact O-N 3.42Å

Retrieved 259 of 259 residues in 111.2 ms (Link to these results)

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