A0A3Q0KN09_SCHMA Loading...

MEG 3.2 isoform 1; MEG 3.2 isoform 1; MEG-3 (Grail) family

AlphaFold DB (D7PD52), UniProt , Accession A0A3Q0KN09, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 145 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
1M60.8Low64.6Low215 Ų215109.7 Ų109.7100%1.05958%0.583SS**  0-59.70-62.1-71.4-152.900111.4F3 V4 A5M1-F3 PolarHBondContact O-N 3.26Å; M1-V4 PolarHBondContact O-N 2.63Å; M1-A5 PolarHBondContact O-N 3.42Å
2L63.7Low64.3Low143 Ų143109.6 Ų109.675%0.74958%0.582SS**Hα-helixtrans-59.8-38.1-176.7-118.3138.2000115.1V4 A5 L6L2-V4 PolarHBondContact O-N 2.83Å; L2-A5 PolarHBondContact O-N 3.3Å; L2-L6 HydrophobicContact CD2-CD1 4.34Å; L2-L6 PolarHBondContact O-N 3.49Å; L2-L6 VanDerWaalsContact O-N 3.15Å
3F65.7Low64Low166 Ų166110.2 Ų110.273%0.72858%0.579SS**Hα-helixtrans-67.7-35.8-178.5-136.2-94.4000113.3M1 I7M1-F3 PolarHBondContact O-N 3.26Å; F3-I7 HydrophobicContact CD1-CD1 3.91Å; F3-I7 HydrophobicContact CE1-CD1 4.36Å; F3-I7 VanDerWaalsContact O-CG1 3.31Å; F3-I7 WeakPolarHBondContact O-CG1 3.48Å; F3-I7 PolarHBondContact O-N 3.33Å; F3-I7 VanDerWaalsContact O-N 3.12Å
4V66.9Low63.6Low94 Ų94106.6 Ų106.657%0.5757%0.567SS**Hα-helixtrans-71.8-39.8179.2179.90000110.7M1 L2 I7 L8M1-V4 PolarHBondContact O-N 2.63Å; L2-V4 PolarHBondContact O-N 2.83Å; V4-I7 PolarHBondContact O-N 3.2Å; V4-L8 HydrophobicContact CG1-CD1 4.12Å; V4-L8 WeakPolarHBondContact O-CG 3.42Å; V4-L8 PolarHBondContact O-N 3.32Å
5A69.2Low63.1Low49 Ų49108.6 Ų108.641%0.40557%0.569SS.*Hα-helixtrans-63.4-42.1175.800000112M1 L2 L8 I9M1-A5 PolarHBondContact O-N 3.42Å; L2-A5 PolarHBondContact O-N 3.3Å; A5-L8 PolarHBondContact O-N 3.42Å; A5-I9 WeakPolarHBondContact O-CD1 3.28Å; A5-I9 WeakPolarHBondContact O-CG1 3.4Å; A5-I9 PolarHBondContact O-N 2.77Å
6L65.3Low62.9Low92 Ų92107.5 Ų107.548%0.48256%0.564SS.*Hα-helixtrans-61.8-44.7175.1-102151000112.4L2 I9 I10L2-L6 HydrophobicContact CD2-CD1 4.34Å; L2-L6 PolarHBondContact O-N 3.49Å; L2-L6 VanDerWaalsContact O-N 3.15Å; L6-I9 PolarHBondContact O-N 3.47Å; L6-I10 HydrophobicContact CD2-CD1 4.41Å; L6-I10 WeakPolarHBondContact O-CD1 3.39Å; L6-I10 VanDerWaalsContact O-CG1 3.22Å; L6-I10 WeakPolarHBondContact O-CG1 3.48Å; L6-I10 PolarHBondContact O-N 2.78Å
7I67.1Low62.6Low89 Ų89106.4 Ų106.446%0.45657%0.566SS.*Hα-helixtrans-61.9-45.4176.1-67.3166.4000110.4F3 V4 I9 I10 S11F3-I7 HydrophobicContact CD1-CD1 3.91Å; F3-I7 HydrophobicContact CE1-CD1 4.36Å; F3-I7 VanDerWaalsContact O-CG1 3.31Å; F3-I7 WeakPolarHBondContact O-CG1 3.48Å; F3-I7 PolarHBondContact O-N 3.33Å; F3-I7 VanDerWaalsContact O-N 3.12Å; V4-I7 PolarHBondContact O-N 3.2Å; I7-I9 PolarHBondContact O-N 3.4Å; I7-I10 PolarHBondContact O-N 3.49Å; I7-S11 WeakPolarHBondContact O-CB 3.44Å; I7-S11 PolarHBondContact O-N 3.39Å; I7-S11 PolarHBondContact O-OG 2.96Å
8L62.2Low62.4Low105 Ų105106.1 Ų106.155%0.5557%0.568SS.*Hα-helixtrans-60.6-43.1177.6-74.2169.6000112.3V4 A5 S11 L12V4-L8 HydrophobicContact CG1-CD1 4.12Å; V4-L8 WeakPolarHBondContact O-CG 3.42Å; V4-L8 PolarHBondContact O-N 3.32Å; A5-L8 PolarHBondContact O-N 3.42Å; L8-S11 PolarHBondContact O-N 3.23Å; L8-L12 WeakPolarHBondContact O-CB 3.29Å; L8-L12 WeakPolarHBondContact O-CD1 3.26Å; L8-L12 VanDerWaalsContact O-CG 3.24Å; L8-L12 WeakPolarHBondContact O-CG 3.49Å; L8-L12 PolarHBondContact O-N 3.46Å
9I64.5Low62.1Low89 Ų89105.9 Ų105.946%0.45656%0.562SS.*Hα-helixtrans-62.2-48176.5-67.9165.6000110.2A5 L6 I7 S11 L12 H13A5-I9 WeakPolarHBondContact O-CD1 3.28Å; A5-I9 WeakPolarHBondContact O-CG1 3.4Å; A5-I9 PolarHBondContact O-N 2.77Å; L6-I9 PolarHBondContact O-N 3.47Å; I7-I9 PolarHBondContact O-N 3.4Å; I9-S11 VanDerWaalsContact C-N 3.32Å; I9-S11 PolarHBondContact O-N 2.74Å; I9-L12 PolarHBondContact O-N 3.08Å; I9-H13 VanDerWaalsContact CG2-CE1 3.48Å; I9-H13 WeakPolarHBondContact CG2-CE1 3.33Å; I9-H13 PolarHBondContact O-N 2.98Å; I9-H13 PolarHBondContact O-ND1 3.22Å
10I62.4Low62.3Low105 Ų105103 Ų10354%0.53855%0.549SS..Hα-helixtrans-63-40.1178.4-65.5163.2000111L6 I7 H13 S14L6-I10 HydrophobicContact CD2-CD1 4.41Å; L6-I10 WeakPolarHBondContact O-CD1 3.39Å; L6-I10 VanDerWaalsContact O-CG1 3.22Å; L6-I10 WeakPolarHBondContact O-CG1 3.48Å; L6-I10 PolarHBondContact O-N 2.78Å; I7-I10 PolarHBondContact O-N 3.49Å; I10-H13 PolarHBondContact O-N 2.88Å; I10-S14 WeakPolarHBondContact O-CB 3.48Å; I10-S14 PolarHBondContact O-N 3.15Å; I10-S14 PolarHBondContact O-OG 2.98Å
11S62.7Low62.6Low60 Ų60100.1 Ų100.142%0.4254%0.54SS..Hα-helixtrans-64.1-38.4176.2-65.60000112.4I7 L8 I9 S14 F15I7-S11 WeakPolarHBondContact O-CB 3.44Å; I7-S11 PolarHBondContact O-N 3.39Å; I7-S11 PolarHBondContact O-OG 2.96Å; L8-S11 PolarHBondContact O-N 3.23Å; I9-S11 VanDerWaalsContact C-N 3.32Å; I9-S11 PolarHBondContact O-N 2.74Å; S11-S14 WeakPolarHBondContact CA-OG 3.42Å; S11-S14 PolarHBondContact O-OG 3.38Å; S11-S14 VanDerWaalsContact O-OG 3.07Å; S11-F15 VanDerWaalsContact O-CB 3.31Å; S11-F15 WeakPolarHBondContact O-CB 3.29Å; S11-F15 PolarHBondContact O-N 3.11Å
12L61.7Low63Low108 Ų10897.8 Ų97.857%0.56552%0.519SS*.Hα-helixtrans-65.4-51.3175.2-73.2162.7000111L8 I9 S14 F15 D16L8-L12 WeakPolarHBondContact O-CB 3.29Å; L8-L12 WeakPolarHBondContact O-CD1 3.26Å; L8-L12 VanDerWaalsContact O-CG 3.24Å; L8-L12 WeakPolarHBondContact O-CG 3.49Å; L8-L12 PolarHBondContact O-N 3.46Å; I9-L12 PolarHBondContact O-N 3.08Å; L12-S14 VanDerWaalsContact C-N 3.32Å; L12-S14 PolarHBondContact O-N 2.8Å; L12-F15 WeakPolarHBondContact O-CB 3.19Å; L12-F15 PolarHBondContact O-N 3.31Å; L12-D16 PolarHBondContact O-N 3.08Å; L12-D16 VanDerWaalsContact O-OD2 3.11Å
13H59.5Low63.7Low118 Ų11895.7 Ų95.755%0.54651%0.505SS..Hα-helixtrans-62.8-38.5-178.9-70.168.4000112.3I9 I10 D16 C17I9-H13 VanDerWaalsContact CG2-CE1 3.48Å; I9-H13 WeakPolarHBondContact CG2-CE1 3.33Å; I9-H13 PolarHBondContact O-N 2.98Å; I9-H13 PolarHBondContact O-ND1 3.22Å; I10-H13 PolarHBondContact O-N 2.88Å; H13-D16 PolarHBondContact O-N 3.3Å; H13-C17 PolarHBondContact O-N 3.33Å; H13-C17 PolarHBondContact O-SG 3.41Å
14S58.7Low64.5Low59 Ų5988.4 Ų88.441%0.41348%0.475SS..Hα-helixtrans-68.6-35.4175.550.30000112.3I10 S11 L12 V18I10-S14 WeakPolarHBondContact O-CB 3.48Å; I10-S14 PolarHBondContact O-N 3.15Å; I10-S14 PolarHBondContact O-OG 2.98Å; S11-S14 WeakPolarHBondContact CA-OG 3.42Å; S11-S14 PolarHBondContact O-OG 3.38Å; S11-S14 VanDerWaalsContact O-OG 3.07Å; L12-S14 VanDerWaalsContact C-N 3.32Å; L12-S14 PolarHBondContact O-N 2.8Å; S14-V18 WeakPolarHBondContact O-CB 3.45Å; S14-V18 WeakPolarHBondContact O-CG2 3.39Å; S14-V18 PolarHBondContact O-N 2.92Å; S14-V18 VanDerWaalsContact O-N 3.09Å
15F56.5Low65.3Low137 Ų13787.3 Ų87.360%0.60146%0.463SS*.Hα-helixtrans-66.2-45173.9-169.2-94.6000111.6S11 L12 C17 V18 F19S11-F15 VanDerWaalsContact O-CB 3.31Å; S11-F15 WeakPolarHBondContact O-CB 3.29Å; S11-F15 PolarHBondContact O-N 3.11Å; L12-F15 WeakPolarHBondContact O-CB 3.19Å; L12-F15 PolarHBondContact O-N 3.31Å; F15-C17 PolarHBondContact O-N 3.15Å; F15-V18 PolarHBondContact O-N 3.36Å; F15-F19 VanDerWaalsContact O-CB 3.29Å; F15-F19 WeakPolarHBondContact O-CB 3.43Å; F15-F19 PolarHBondContact O-N 2.99Å
16D58.9Low66.1Low91 Ų9190.6 Ų90.649%0.48747%0.47SS..Hα-helixtrans-61.3-44.2178.6-67.1-40.7000111.5L12 H13 F19 T20L12-D16 PolarHBondContact O-N 3.08Å; L12-D16 VanDerWaalsContact O-OD2 3.11Å; H13-D16 PolarHBondContact O-N 3.3Å; D16-F19 PolarHBondContact O-N 3.35Å; D16-T20 VanDerWaalsContact O-CB 3.27Å; D16-T20 WeakPolarHBondContact O-CB 3.49Å; D16-T20 PolarHBondContact O-N 3.13Å; D16-T20 PolarHBondContact O-OG1 3.02Å
17C58.6Low67.1Low89 Ų8989.6 Ų89.660%0.60146%0.463SS*.Hα-helixtrans-63-43.7176.2-70.40000112.5H13 F15 A21H13-C17 PolarHBondContact O-N 3.33Å; H13-C17 PolarHBondContact O-SG 3.41Å; F15-C17 PolarHBondContact O-N 3.15Å; C17-A21 WeakPolarHBondContact O-CB 3.12Å; C17-A21 PolarHBondContact O-N 3.19Å
18V59.1Low68.2Low100 Ų10085.4 Ų85.461%0.60644%0.441SS*.Hα-helixtrans-67.8-40.1179.8170.60000111.1S14 F15 R22S14-V18 WeakPolarHBondContact O-CB 3.45Å; S14-V18 WeakPolarHBondContact O-CG2 3.39Å; S14-V18 PolarHBondContact O-N 2.92Å; S14-V18 VanDerWaalsContact O-N 3.09Å; F15-V18 PolarHBondContact O-N 3.36Å; V18-R22 WeakPolarHBondContact O-CB 3.04Å; V18-R22 PolarHBondContact O-N 2.85Å
19F56.1Low69.5Low103 Ų10383 Ų8345%0.45243%0.431SS..Hα-helixtrans-63.6-48.8177.5-169.5-97.9000110.9F15 D16 A21 R22 E23F15-F19 VanDerWaalsContact O-CB 3.29Å; F15-F19 WeakPolarHBondContact O-CB 3.43Å; F15-F19 PolarHBondContact O-N 2.99Å; D16-F19 PolarHBondContact O-N 3.35Å; F19-A21 PolarHBondContact O-N 3.38Å; F19-R22 PolarHBondContact O-N 3.21Å; F19-R22 VanDerWaalsContact O-N 3.14Å; F19-E23 HydrophobicContact CD1-CG 4.27Å; F19-E23 HydrophobicContact CE1-CG 3.98Å; F19-E23 WeakPolarHBondContact CE1-OE1 3Å; F19-E23 WeakPolarHBondContact CE1-OE2 3.5Å; F19-E23 HydrophobicContact CZ-CG 4.32Å; F19-E23 WeakPolarHBondContact CZ-OE1 3.03Å; F19-E23 PolarHBondContact O-N 2.93Å
20T66.7Low70.7Confident48 Ų4886.2 Ų86.229%0.29444%0.438SS..Hα-helixtrans-59.9-43.7177.3-56.40000112.3D16 R22 E23 T24 M142D16-T20 VanDerWaalsContact O-CB 3.27Å; D16-T20 WeakPolarHBondContact O-CB 3.49Å; D16-T20 PolarHBondContact O-N 3.13Å; D16-T20 PolarHBondContact O-OG1 3.02Å; T20-R22 VanDerWaalsContact C-N 3.31Å; T20-R22 PolarHBondContact O-N 3.18Å; T20-E23 PolarHBondContact O-N 3.3Å; T20-T24 WeakPolarHBondContact O-CB 3.41Å; T20-T24 PolarHBondContact O-N 3.16Å; T20-T24 PolarHBondContact O-OG1 3.42Å; T20-M142 HydrophobicContact CG2-CG 4.42Å; T20-M142 HydrophobicContact CG2-SD 3.22Å; T20-M142 WeakPolarHBondContact CG2-SD 3.36Å
21A67.4Low71.9Confident43 Ų4381.9 Ų81.936%0.35542%0.415SS..Hα-helixtrans-63.1-38.417700000112C17 F19 Q25C17-A21 WeakPolarHBondContact O-CB 3.12Å; C17-A21 PolarHBondContact O-N 3.19Å; F19-A21 PolarHBondContact O-N 3.38Å; A21-Q25 WeakPolarHBondContact O-CB 3.35Å; A21-Q25 PolarHBondContact O-N 2.94Å
22R71.2Confident73.2Confident166 Ų16679 Ų7963%0.62640%0.395SS*.Hα-helixtrans-70.3-42.3178.7-172177.1-177.7171.51.5112.4V18 F19 T20 Q25 Q26V18-R22 WeakPolarHBondContact O-CB 3.04Å; V18-R22 PolarHBondContact O-N 2.85Å; F19-R22 PolarHBondContact O-N 3.21Å; F19-R22 VanDerWaalsContact O-N 3.14Å; T20-R22 VanDerWaalsContact C-N 3.31Å; T20-R22 PolarHBondContact O-N 3.18Å; R22-Q25 PolarHBondContact O-N 3.09Å; R22-Q26 WeakPolarHBondContact O-CG 3.33Å; R22-Q26 PolarHBondContact O-N 2.81Å
23E77.6Confident74.3Confident98 Ų9875 Ų7546%0.45838%0.38SS..Hα-helixtrans-62-46.2173.9-71.3-170.6143.300110.8F19 T20 Q25 Q26 E27F19-E23 HydrophobicContact CD1-CG 4.27Å; F19-E23 HydrophobicContact CE1-CG 3.98Å; F19-E23 WeakPolarHBondContact CE1-OE1 3Å; F19-E23 WeakPolarHBondContact CE1-OE2 3.5Å; F19-E23 HydrophobicContact CZ-CG 4.32Å; F19-E23 WeakPolarHBondContact CZ-OE1 3.03Å; F19-E23 PolarHBondContact O-N 2.93Å; T20-E23 PolarHBondContact O-N 3.3Å; E23-Q25 VanDerWaalsContact C-N 3.29Å; E23-Q25 PolarHBondContact O-N 2.92Å; E23-Q26 PolarHBondContact O-N 3.29Å; E23-Q26 VanDerWaalsContact O-N 3.13Å; E23-E27 WeakPolarHBondContact O-CB 3.41Å; E23-E27 PolarHBondContact O-N 3.36Å
24T81.5Confident75.2Confident14 Ų1472.4 Ų72.49%0.08638%0.384CS..Hα-helixtrans-55.7-44.3175.7-57.10000111.3T20 C28 L118 C119 N122T20-T24 WeakPolarHBondContact O-CB 3.41Å; T20-T24 PolarHBondContact O-N 3.16Å; T20-T24 PolarHBondContact O-OG1 3.42Å; T24-C28 VanDerWaalsContact O-CB 3.31Å; T24-C28 WeakPolarHBondContact O-CB 3.47Å; T24-C28 PolarHBondContact O-N 3.34Å; T24-L118 HydrophobicContact CG2-CB 3.84Å; T24-C119 HydrophobicContact CG2-CB 4.28Å; T24-N122 PolarHBondContact O-ND2 2.73Å
25Q84.5Confident75.8Confident70 Ų7074.9 Ų74.933%0.32739%0.389SS..Hα-helixtrans-64.3-45.1177.2171.5172.114.400112.3A21 R22 E23 E27 C28 V29 C47A21-Q25 WeakPolarHBondContact O-CB 3.35Å; A21-Q25 PolarHBondContact O-N 2.94Å; R22-Q25 PolarHBondContact O-N 3.09Å; E23-Q25 VanDerWaalsContact C-N 3.29Å; E23-Q25 PolarHBondContact O-N 2.92Å; Q25-E27 VanDerWaalsContact C-N 3.34Å; Q25-C28 WeakPolarHBondContact O-CB 3.44Å; Q25-C28 PolarHBondContact O-N 2.94Å; Q25-V29 WeakPolarHBondContact O-CG2 3.49Å; Q25-V29 PolarHBondContact O-N 2.04Å; Q25-C47 HydrophobicContact CG-CB 4.29Å; Q25-C47 WeakPolarHBondContact CG-O 3.04Å
26Q85.7Confident76.5Confident119 Ų11969.3 Ų69.356%0.55637%0.366SS*.Hα-helixtrans-63.9-42.2-179.8-74.9-179.1-12.800111.8R22 E23 V29 R30R22-Q26 WeakPolarHBondContact O-CG 3.33Å; R22-Q26 PolarHBondContact O-N 2.81Å; E23-Q26 PolarHBondContact O-N 3.29Å; E23-Q26 VanDerWaalsContact O-N 3.13Å; Q26-V29 PolarHBondContact O-N 2.81Å; Q26-R30 PolarHBondContact O-N 2.88Å
27E87.6Confident77.7Confident71 Ų7171.7 Ų71.733%0.33237%0.374SS..Hα-helixtrans-65.1-40.9175.6-176.5161.3-137.600111.4E23 Q25 V29 R30 H31 N122E23-E27 WeakPolarHBondContact O-CB 3.41Å; E23-E27 PolarHBondContact O-N 3.36Å; Q25-E27 VanDerWaalsContact C-N 3.34Å; E27-V29 PolarHBondContact O-N 3.06Å; E27-R30 WeakPolarHBondContact O-CB 3.38Å; E27-R30 PolarHBondContact O-N 3.01Å; E27-R30 VanDerWaalsContact O-N 3.16Å; E27-R30 IonicContact OE1-NH2 3.42Å; E27-R30 PolarHBondContact OE1-NH2 3.45Å; E27-H31 VanDerWaalsContact CG-CD2 3.44Å; E27-H31 WeakPolarHBondContact CG-CD2 3.49Å; E27-H31 WeakPolarHBondContact CG-NE2 3.48Å; E27-H31 PolarHBondContact O-CD2 3Å; E27-H31 PolarHBondContact O-N 3.35Å; E27-H31 IonicContact OE1-NE2 2.74Å; E27-N122 HydrophobicContact CG-CB 4.12Å
28C89.2Confident79.2Confident0 Ų069.2 Ų69.20%035%0.352CS..Hα-helixtrans-58.4-46.2173.3173.90000111.8T24 Q25 R30 H31 C32 C47 Y121 N122T24-C28 VanDerWaalsContact O-CB 3.31Å; T24-C28 WeakPolarHBondContact O-CB 3.47Å; T24-C28 PolarHBondContact O-N 3.34Å; Q25-C28 WeakPolarHBondContact O-CB 3.44Å; Q25-C28 PolarHBondContact O-N 2.94Å; C28-R30 VanDerWaalsContact C-N 3.27Å; C28-R30 PolarHBondContact O-N 2.89Å; C28-H31 PolarHBondContact O-N 2.95Å; C28-C32 WeakPolarHBondContact O-CB 3.27Å; C28-C32 PolarHBondContact O-N 3.31Å; C28-C47 HydrophobicContact CB-CB 3.66Å; C28-C47 WeakPolarHBondContact CB-SG 3.44Å; C28-C47 PolarHBondContact O-SG 3.41Å; C28-C47 WeakPolarHBondContact SG-CB 3.4Å; C28-C47 CovalentContact SG-SG 2.04Å; C28-C47 PolarHBondContact SG-SG 3.21Å; C28-Y121 HydrophobicContact CB-CD1 4.33Å; C28-Y121 HydrophobicContact CB-CE1 4.49Å; C28-N122 WeakPolarHBondContact CA-OD1 3.36Å; C28-N122 WeakPolarHBondContact CB-OD1 3.33Å; C28-N122 PolarHBondContact N-OD1 3.48Å; C28-N122 VanDerWaalsContact N-OD1 3.09Å
29V90.2Very high80.7Confident55 Ų5564.4 Ų64.433%0.33332%0.323SS..Hα-helixtrans-61.3-40.5178.7172.70000110.7Q25 Q26 E27 G33 C43 C47Q25-V29 WeakPolarHBondContact O-CG2 3.49Å; Q25-V29 PolarHBondContact O-N 2.04Å; Q26-V29 PolarHBondContact O-N 2.81Å; E27-V29 PolarHBondContact O-N 3.06Å; V29-G33 PolarHBondContact O-N 3.36Å; V29-C43 HydrophobicContact CG1-CB 4.34Å; V29-C47 HydrophobicContact CG2-CB 3.68Å; V29-C47 PolarHBondContact N-SG 3.05Å
30R88.6Confident82.3Confident157 Ų15762.8 Ų62.859%0.59232%0.322SS*.Hα-helixtrans-62.7-48177.1-173-174.168.3136.4-3.4111.8Q26 E27 C28 G34Q26-R30 PolarHBondContact O-N 2.88Å; E27-R30 WeakPolarHBondContact O-CB 3.38Å; E27-R30 PolarHBondContact O-N 3.01Å; E27-R30 VanDerWaalsContact O-N 3.16Å; E27-R30 IonicContact OE1-NH2 3.42Å; E27-R30 PolarHBondContact OE1-NH2 3.45Å; C28-R30 VanDerWaalsContact C-N 3.27Å; C28-R30 PolarHBondContact O-N 2.89Å; R30-G34 PolarHBondContact O-N 3.08Å
31H88.6Confident83.4Confident14 Ų1467.7 Ų67.77%0.06534%0.335CS..Hα-helixtrans-67.3-44.9178.5-72.7-61.7000112.2E27 C28 G33 G34 H35 Y121 Q125E27-H31 VanDerWaalsContact CG-CD2 3.44Å; E27-H31 WeakPolarHBondContact CG-CD2 3.49Å; E27-H31 WeakPolarHBondContact CG-NE2 3.48Å; E27-H31 PolarHBondContact O-CD2 3Å; E27-H31 PolarHBondContact O-N 3.35Å; E27-H31 IonicContact OE1-NE2 2.74Å; C28-H31 PolarHBondContact O-N 2.95Å; H31-G33 VanDerWaalsContact C-N 3.33Å; H31-G33 PolarHBondContact O-N 3.13Å; H31-G34 PolarHBondContact O-N 3.29Å; H31-H35 PolarHBondContact O-CD2 2.84Å; H31-H35 VanDerWaalsContact O-CD2 3.3Å; H31-H35 PolarHBondContact O-N 3.16Å; H31-Y121 HydrophobicContact CB-CE1 3.88Å; H31-Q125 HydrophobicContact CB-CB 3.68Å; H31-Q125 HydrophobicContact CB-CG 4.09Å; H31-Q125 PolarHBondContact ND1-O 3.4Å
32C89.1Confident84.6Confident0 Ų068.5 Ų68.50%033%0.329CS..Hα-helixtrans-58.7-43.9179174.60000111.9C28 V39 C43 Y121C28-C32 WeakPolarHBondContact O-CB 3.27Å; C28-C32 PolarHBondContact O-N 3.31Å; C32-V39 WeakPolarHBondContact O-CG1 3.28Å; C32-C43 HydrophobicContact CB-CB 3.66Å; C32-C43 WeakPolarHBondContact CB-SG 3.38Å; C32-C43 WeakPolarHBondContact SG-CA 3.49Å; C32-C43 WeakPolarHBondContact SG-CB 3.02Å; C32-C43 CovalentContact SG-SG 2.04Å; C32-C43 PolarHBondContact SG-SG 2.82Å; C32-Y121 WeakPolarHBondContact CA-OH 3.47Å; C32-Y121 HydrophobicContact CB-CE1 4.44Å; C32-Y121 PolarHBondContact N-OH 3.35Å; C32-Y121 VanDerWaalsContact N-OH 3.15Å
33G86.3Confident85.5Confident24 Ų2460.7 Ų60.725%0.24730%0.3CS..Hα-helixtrans-76.3-30.2177.200000114.1V29 H31 H35 T40 C43V29-G33 PolarHBondContact O-N 3.36Å; H31-G33 VanDerWaalsContact C-N 3.33Å; H31-G33 PolarHBondContact O-N 3.13Å; G33-H35 PolarHBondContact O-N 3.21Å; G33-T40 WeakPolarHBondContact CA-OG1 3.18Å; G33-T40 PolarHBondContact O-OG1 3.37Å; G33-C43 PolarHBondContact N-SG 3.01Å; G33-C43 VanDerWaalsContact N-SG 3.41Å
34G78.5Confident86Confident62 Ų6258 Ų5864%0.63930%0.298SS*.Hα-helixtrans-71.8-27.7-175.200000114.7R30 H31R30-G34 PolarHBondContact O-N 3.08Å; H31-G34 PolarHBondContact O-N 3.29Å
35H69.6Low86.2Confident112 Ų11259.2 Ų59.252%0.51931%0.314SS..Hα-helixtrans-104.4-9.6-174.3-69-74.1000114.3H31 G33 Q125H31-H35 PolarHBondContact O-CD2 2.84Å; H31-H35 VanDerWaalsContact O-CD2 3.3Å; H31-H35 PolarHBondContact O-N 3.16Å; G33-H35 PolarHBondContact O-N 3.21Å; H35-Q125 PolarHBondContact CD2-OE1 3.45Å
36N71.7Confident86.5Confident20 Ų2056.2 Ų56.211%0.10730%0.3CS..  trans-150.898.6-166.2-80.3-63.8000111.8Y38 V39 T40 S63N36-Y38 VanDerWaalsContact C-N 3.31Å; N36-Y38 PolarHBondContact O-N 3.24Å; N36-V39 HydrophobicContact CB-CB 4.27Å; N36-V39 HydrophobicContact CB-CG1 3.36Å; N36-V39 PolarHBondContact O-N 3.09Å; N36-T40 PolarHBondContact O-N 3.34Å; N36-T40 PolarHBondContact O-OG1 2.9Å; N36-S63 VanDerWaalsContact CB-OG 3.26Å; N36-S63 WeakPolarHBondContact CB-OG 3.43Å; N36-S63 PolarHBondContact OD1-OG 2.94Å; N36-S63 VanDerWaalsContact OD1-OG 3.08Å
37E83.2Confident86.6Confident140 Ų14050.6 Ų50.665%0.65427%0.274SS*.THydrogen-bonded Turntrans-61.2-37.3-176.363179.1-177.900112.9T40E37-T40 PolarHBondContact O-OG1 2.9Å
38Y90.2Very high86.5Confident37 Ų3749.4 Ų49.415%0.14527%0.273CS..THydrogen-bonded Turntrans-74.4-31.6-175.4-49.3-53.1000113.5N36 A66 N68 Q69 F72N36-Y38 VanDerWaalsContact C-N 3.31Å; N36-Y38 PolarHBondContact O-N 3.24Å; Y38-A66 HydrophobicContact CD2-CB 3.77Å; Y38-A66 HydrophobicContact CE2-CB 3.94Å; Y38-A66 WeakPolarHBondContact CE2-O 3.24Å; Y38-N68 WeakPolarHBondContact OH-CA 3.45Å; Y38-Q69 HydrophobicContact CD1-CB 4.2Å; Y38-Q69 HydrophobicContact CE1-CB 4.38Å; Y38-F72 HydrophobicContact CD2-CB 4.39Å; Y38-F72 HydrophobicContact CG-CB 4.14Å; Y38-F72 HydrophobicContact CG-CG 4.37Å; Y38-F72 WeakPolarHBondContact O-CE1 3.17Å
39V90.9Very high85.9Confident0 Ų050.1 Ų50.10%028%0.281CS..THydrogen-bonded Turntrans-85-15.5-178.983.70000113C32 N36 R41 Y42 C43 L46 Y59 L60 F72C32-V39 WeakPolarHBondContact O-CG1 3.28Å; N36-V39 HydrophobicContact CB-CB 4.27Å; N36-V39 HydrophobicContact CB-CG1 3.36Å; N36-V39 PolarHBondContact O-N 3.09Å; V39-R41 PolarHBondContact O-N 3.4Å; V39-Y42 WeakPolarHBondContact O-CA 3.04Å; V39-Y42 WeakPolarHBondContact O-CB 3.29Å; V39-Y42 PolarHBondContact O-N 3.11Å; V39-C43 PolarHBondContact O-N 3.38Å; V39-L46 HydrophobicContact CG2-CD1 3.65Å; V39-Y59 HydrophobicContact CG2-CD1 4.15Å; V39-L60 HydrophobicContact CG1-CD2 4.12Å; V39-L60 HydrophobicContact CG2-CD2 4.44Å; V39-F72 HydrophobicContact CB-CE2 4.41Å; V39-F72 HydrophobicContact CB-CZ 4.3Å; V39-F72 HydrophobicContact CG2-CZ 4.28Å
40T90.3Very high85.4Confident68 Ų6852 Ų5242%0.41730%0.297SS..G310 helixtrans-49.4-42.3-171.1-67.30000113.1G33 N36 E37 Y42 C43G33-T40 WeakPolarHBondContact CA-OG1 3.18Å; G33-T40 PolarHBondContact O-OG1 3.37Å; N36-T40 PolarHBondContact O-N 3.34Å; N36-T40 PolarHBondContact O-OG1 2.9Å; E37-T40 PolarHBondContact O-OG1 2.9Å; T40-Y42 PolarHBondContact O-N 3.08Å; T40-Y42 VanDerWaalsContact O-N 3.16Å; T40-C43 PolarHBondContact O-N 3.44Å
41R90.5Very high85.2Confident152 Ų15246.2 Ų46.257%0.57428%0.279SS*.G310 helixtrans-65.5-16.9179.973.4-178.2-174-154.2-11.3114.4V39 D73V39-R41 PolarHBondContact O-N 3.4Å; R41-D73 IonicContact NH2-OD1 3.1Å; R41-D73 PolarHBondContact NH2-OD1 2.86Å
42Y90.9Very high85.1Confident60 Ų6045.8 Ų45.824%0.23528%0.278CS..G310 helixtrans-100.6-18.6-179.2-60.5-81.8000113.2V39 T40 G44 G45 L46 Y59 F72 L76V39-Y42 WeakPolarHBondContact O-CA 3.04Å; V39-Y42 WeakPolarHBondContact O-CB 3.29Å; V39-Y42 PolarHBondContact O-N 3.11Å; T40-Y42 PolarHBondContact O-N 3.08Å; T40-Y42 VanDerWaalsContact O-N 3.16Å; Y42-G44 PolarHBondContact O-N 3.22Å; Y42-G44 VanDerWaalsContact O-N 3.08Å; Y42-G45 PolarHBondContact O-N 3.06Å; Y42-L46 WeakPolarHBondContact O-CG 3.41Å; Y42-L46 PolarHBondContact O-N 2.65Å; Y42-Y59 HydrophobicContact CD1-CD1 4.37Å; Y42-Y59 AromaticContact CD1-CE1 3.56Å; Y42-Y59 HydrophobicContact CD1-CE1 3.56Å; Y42-Y59 HydrophobicContact CD2-CD1 4.17Å; Y42-Y59 AromaticContact CD2-CE1 3.97Å; Y42-Y59 HydrophobicContact CD2-CE1 3.97Å; Y42-Y59 AromaticContact CE1-CE1 3.9Å; Y42-Y59 HydrophobicContact CE1-CE1 3.9Å; Y42-Y59 HydrophobicContact CE2-CE1 4.3Å; Y42-Y59 AromaticContact CG-CD1 3.94Å; Y42-Y59 HydrophobicContact CG-CD1 3.94Å; Y42-Y59 AromaticContact CG-CE1 3.57Å; Y42-Y59 HydrophobicContact CG-CE1 3.57Å; Y42-F72 HydrophobicContact CD2-CE1 4.17Å; Y42-F72 HydrophobicContact CD2-CZ 4.15Å; Y42-F72 AromaticContact CE2-CE1 3.66Å; Y42-F72 HydrophobicContact CE2-CE1 3.66Å; Y42-F72 HydrophobicContact CE2-CZ 4.09Å; Y42-L76 HydrophobicContact CE2-CD1 4.2Å; Y42-L76 VanDerWaalsContact OH-CD1 3.26Å; Y42-L76 WeakPolarHBondContact OH-CD1 3.21Å
43C90.8Very high85Confident1 Ų146.1 Ų46.11%0.00728%0.28CS..Hα-helixtrans-53.3-36.9-172.4-66.60000113.5V29 C32 G33 V39 T40 G45 L46 C47V29-C43 HydrophobicContact CG1-CB 4.34Å; C32-C43 HydrophobicContact CB-CB 3.66Å; C32-C43 WeakPolarHBondContact CB-SG 3.38Å; C32-C43 WeakPolarHBondContact SG-CA 3.49Å; C32-C43 WeakPolarHBondContact SG-CB 3.02Å; C32-C43 CovalentContact SG-SG 2.04Å; C32-C43 PolarHBondContact SG-SG 2.82Å; G33-C43 PolarHBondContact N-SG 3.01Å; G33-C43 VanDerWaalsContact N-SG 3.41Å; V39-C43 PolarHBondContact O-N 3.38Å; T40-C43 PolarHBondContact O-N 3.44Å; C43-G45 VanDerWaalsContact C-N 3.34Å; C43-G45 PolarHBondContact O-N 3.46Å; C43-L46 PolarHBondContact O-N 3Å; C43-C47 WeakPolarHBondContact O-CB 3.47Å; C43-C47 PolarHBondContact O-N 2.98Å; C43-C47 PolarHBondContact O-SG 3.05Å
44G87.9Confident85.1Confident41 Ų4146.9 Ų46.942%0.42328%0.278SS..Hα-helixtrans-59.1-41.7175.800000113.7Y42 S48Y42-G44 PolarHBondContact O-N 3.22Å; Y42-G44 VanDerWaalsContact O-N 3.08Å; G44-S48 PolarHBondContact O-N 3.19Å
45G87.1Confident85.6Confident41 Ų4145.8 Ų45.842%0.42326%0.258SS..Hα-helixtrans-77.9-40.5176.700000112.6Y42 C43 C47 S48 T51Y42-G45 PolarHBondContact O-N 3.06Å; C43-G45 VanDerWaalsContact C-N 3.34Å; C43-G45 PolarHBondContact O-N 3.46Å; G45-C47 PolarHBondContact O-N 3.44Å; G45-S48 WeakPolarHBondContact O-CB 3.26Å; G45-S48 PolarHBondContact O-N 3.36Å; G45-S48 PolarHBondContact O-OG 3.37Å; G45-T51 PolarHBondContact O-OG1 3.4Å
46L88.9Confident86.6Confident7 Ų740.7 Ų40.74%0.03724%0.235CC..Hα-helixtrans-61-43.2177.3-67-179000111.6V39 Y42 C43 S48 T51 F56 Y59V39-L46 HydrophobicContact CG2-CD1 3.65Å; Y42-L46 WeakPolarHBondContact O-CG 3.41Å; Y42-L46 PolarHBondContact O-N 2.65Å; C43-L46 PolarHBondContact O-N 3Å; L46-S48 VanDerWaalsContact C-N 3.32Å; L46-S48 PolarHBondContact O-N 3.49Å; L46-T51 HydrophobicContact CD2-CG2 3.86Å; L46-F56 HydrophobicContact CB-CD2 3.67Å; L46-F56 HydrophobicContact CB-CE2 3.9Å; L46-Y59 HydrophobicContact CD1-CD1 3.98Å; L46-Y59 HydrophobicContact CD1-CG 3.94Å; L46-Y59 HydrophobicContact CD2-CD1 4.26Å; L46-Y59 HydrophobicContact CD2-CD2 4.02Å; L46-Y59 HydrophobicContact CD2-CE2 4.48Å; L46-Y59 HydrophobicContact CD2-CG 3.89Å
47C89Confident87.5Confident0 Ų039.9 Ų39.90%023%0.23CC..THydrogen-bonded Turntrans-85.13.4178.8-61.60000114.1Q25 C28 V29 C43 G45 G49 L118Q25-C47 HydrophobicContact CG-CB 4.29Å; Q25-C47 WeakPolarHBondContact CG-O 3.04Å; C28-C47 HydrophobicContact CB-CB 3.66Å; C28-C47 WeakPolarHBondContact CB-SG 3.44Å; C28-C47 PolarHBondContact O-SG 3.41Å; C28-C47 WeakPolarHBondContact SG-CB 3.4Å; C28-C47 CovalentContact SG-SG 2.04Å; C28-C47 PolarHBondContact SG-SG 3.21Å; V29-C47 HydrophobicContact CG2-CB 3.68Å; V29-C47 PolarHBondContact N-SG 3.05Å; C43-C47 WeakPolarHBondContact O-CB 3.47Å; C43-C47 PolarHBondContact O-N 2.98Å; C43-C47 PolarHBondContact O-SG 3.05Å; G45-C47 PolarHBondContact O-N 3.44Å; C47-G49 PolarHBondContact O-N 3.17Å; C47-L118 WeakPolarHBondContact O-CD1 3.48Å
48S84.6Confident88Confident46 Ų4633.6 Ų33.632%0.32220%0.202SC..THydrogen-bonded Turntrans-70.7-7.3-17868.90000114.7G44 G45 L46 S50G44-S48 PolarHBondContact O-N 3.19Å; G45-S48 WeakPolarHBondContact O-CB 3.26Å; G45-S48 PolarHBondContact O-N 3.36Å; G45-S48 PolarHBondContact O-OG 3.37Å; L46-S48 VanDerWaalsContact C-N 3.32Å; L46-S48 PolarHBondContact O-N 3.49Å; S48-S50 PolarHBondContact O-N 2.03Å; S48-S50 PolarHBondContact OG-N 2.03Å
49G77.1Confident88.1Confident16 Ų1632.5 Ų32.517%0.16520%0.197CC..SBendtrans76.4-17-169.200000113.7C47 T51 G113C47-G49 PolarHBondContact O-N 3.17Å; G49-T51 VanDerWaalsContact C-N 3.26Å; G49-T51 PolarHBondContact O-N 3.29Å; G49-G113 WeakPolarHBondContact O-CA 3.42Å; G49-G113 PolarHBondContact O-N 3.32Å
50S79.9Confident88.1Confident95 Ų9532.6 Ų32.666%0.66420%0.198SC*.  trans-81.3-5.6177.1-58.50000113.6S48 V112S48-S50 PolarHBondContact O-N 2.03Å; S48-S50 PolarHBondContact OG-N 2.03Å; S50-V112 WeakPolarHBondContact O-CG1 3.42Å
51T84.3Confident88.2Confident35 Ų3529.4 Ų29.422%0.21518%0.178CC..SBendtrans-98.5129.3175.7-58.30000108.9G45 L46 G49 T55 F56G45-T51 PolarHBondContact O-OG1 3.4Å; L46-T51 HydrophobicContact CD2-CG2 3.86Å; G49-T51 VanDerWaalsContact C-N 3.26Å; G49-T51 PolarHBondContact O-N 3.29Å; T51-T55 HydrophobicContact CG2-CG2 3.72Å; T51-F56 HydrophobicContact CG2-CB 4.39Å
52G85.9Confident88.3Confident5 Ų522.4 Ų22.45%0.05215%0.153CC..  trans-68152.417500000111.9Q54 T55 F56G52-Q54 PolarHBondContact O-N 2.94Å; G52-Q54 VanDerWaalsContact O-N 3.14Å; G52-T55 PolarHBondContact O-N 2.92Å; G52-T55 VanDerWaalsContact O-N 3.09Å; G52-F56 PolarHBondContact O-N 3.38Å
53P86.5Confident88.3Confident7 Ų719.8 Ų19.85%0.04514%0.143CC..Hα-helixtrans-57.5-32.3-17921.9-31.7000112.4F56 Y57 V107 G110 P117P53-F56 WeakPolarHBondContact O-CB 3.5Å; P53-F56 PolarHBondContact O-N 3.35Å; P53-Y57 VanDerWaalsContact O-CD2 3.28Å; P53-Y57 WeakPolarHBondContact O-CD2 3.09Å; P53-Y57 PolarHBondContact O-N 3.46Å; P53-V107 WeakPolarHBondContact CB-O 3.28Å; P53-V107 WeakPolarHBondContact CG-O 3.05Å; P53-G110 VanDerWaalsContact CG-O 3.26Å; P53-G110 WeakPolarHBondContact CG-O 3.46Å; P53-P117 HydrophobicContact CB-CB 4.44Å
54Q88.7Confident88.3Confident40 Ų4024.8 Ų24.819%0.18717%0.166CC..Hα-helixtrans-65.6-43179-5180.8-0.400111.8G52 C58 L85 C90 C108 G110G52-Q54 PolarHBondContact O-N 2.94Å; G52-Q54 VanDerWaalsContact O-N 3.14Å; Q54-C58 VanDerWaalsContact O-CB 3.26Å; Q54-C58 WeakPolarHBondContact O-CB 3.07Å; Q54-C58 PolarHBondContact O-N 3.15Å; Q54-C58 VanDerWaalsContact O-N 3.08Å; Q54-L85 HydrophobicContact CB-CB 3.79Å; Q54-L85 HydrophobicContact CB-CD1 4.45Å; Q54-C90 HydrophobicContact CB-CB 4.03Å; Q54-C90 HydrophobicContact CG-CB 3.93Å; Q54-C108 PolarHBondContact NE2-O 3.28Å; Q54-G110 PolarHBondContact NE2-O 3.12Å
55T89.8Confident88.4Confident38 Ų3827.2 Ų27.223%0.23317%0.169CC..Hα-helixtrans-68.9-42.6174.5-56.50000110.5T51 G52 C58 Y59 L85T51-T55 HydrophobicContact CG2-CG2 3.72Å; G52-T55 PolarHBondContact O-N 2.92Å; G52-T55 VanDerWaalsContact O-N 3.09Å; T55-C58 PolarHBondContact O-N 3.05Å; T55-Y59 HydrophobicContact CG2-CD2 3.96Å; T55-Y59 HydrophobicContact CG2-CE2 3.86Å; T55-Y59 WeakPolarHBondContact O-CD2 3.46Å; T55-Y59 PolarHBondContact O-N 3.4Å; T55-Y59 VanDerWaalsContact O-N 3.08Å; T55-L85 WeakPolarHBondContact OG1-CD1 3.2Å
56F90.8Very high88.5Confident6 Ų625.9 Ų25.93%0.02616%0.155CC..Hα-helixtrans-54.6-55.9177.8-177.4-93.5000112L46 T51 G52 P53 C58 Y59 L60 L118 Y121L46-F56 HydrophobicContact CB-CD2 3.67Å; L46-F56 HydrophobicContact CB-CE2 3.9Å; T51-F56 HydrophobicContact CG2-CB 4.39Å; G52-F56 PolarHBondContact O-N 3.38Å; P53-F56 WeakPolarHBondContact O-CB 3.5Å; P53-F56 PolarHBondContact O-N 3.35Å; F56-C58 PolarHBondContact O-N 3.35Å; F56-Y59 PolarHBondContact O-N 2.97Å; F56-L60 HydrophobicContact CD1-CD1 3.92Å; F56-L60 HydrophobicContact CE1-CD1 3.34Å; F56-L60 HydrophobicContact CE1-CG 4.23Å; F56-L60 HydrophobicContact CZ-CD1 3.85Å; F56-L60 PolarHBondContact O-N 3.19Å; F56-L118 HydrophobicContact CD2-CD2 4.38Å; F56-L118 HydrophobicContact CE2-CD2 4.17Å; F56-L118 HydrophobicContact CZ-CD2 4.47Å; F56-Y121 HydrophobicContact CE1-CD1 4.23Å; F56-Y121 AromaticContact CE1-CD2 3.74Å; F56-Y121 HydrophobicContact CE1-CD2 3.74Å; F56-Y121 HydrophobicContact CE1-CE1 4.47Å; F56-Y121 HydrophobicContact CE1-CE2 4.03Å; F56-Y121 AromaticContact CE1-CG 3.84Å; F56-Y121 HydrophobicContact CE1-CG 3.84Å; F56-Y121 AromaticContact CZ-CD1 3.8Å; F56-Y121 HydrophobicContact CZ-CD1 3.8Å; F56-Y121 HydrophobicContact CZ-CD2 4.07Å; F56-Y121 AromaticContact CZ-CE1 3.83Å; F56-Y121 HydrophobicContact CZ-CE1 3.83Å; F56-Y121 HydrophobicContact CZ-CE2 4.12Å; F56-Y121 AromaticContact CZ-CG 3.91Å; F56-Y121 HydrophobicContact CZ-CG 3.91Å; F56-Y121 AromaticContact CZ-CZ 4Å
57Y91.1Very high88.7Confident3 Ų330.3 Ų30.31%0.01219%0.186CC..Hα-helixtrans-68.6-32.4-179.7-79.8-72000112.9P53 Y59 L60 G61 D93 C94 V97 V107P53-Y57 VanDerWaalsContact O-CD2 3.28Å; P53-Y57 WeakPolarHBondContact O-CD2 3.09Å; P53-Y57 PolarHBondContact O-N 3.46Å; Y57-Y59 VanDerWaalsContact C-N 3.33Å; Y57-Y59 PolarHBondContact O-N 2.8Å; Y57-L60 HydrophobicContact CD1-CD1 4.32Å; Y57-L60 HydrophobicContact CE1-CD1 4.49Å; Y57-L60 PolarHBondContact O-N 3.13Å; Y57-G61 PolarHBondContact O-N 3.28Å; Y57-D93 WeakPolarHBondContact O-CB 3.02Å; Y57-C94 VanDerWaalsContact CD1-CA 3.43Å; Y57-C94 HydrophobicContact CD1-CB 3.56Å; Y57-C94 HydrophobicContact CD2-CB 4.28Å; Y57-C94 HydrophobicContact CE1-CB 3.77Å; Y57-C94 HydrophobicContact CG-CB 3.82Å; Y57-V97 HydrophobicContact CD1-CG2 3.8Å; Y57-V97 HydrophobicContact CE1-CG2 3.97Å; Y57-V107 HydrophobicContact CD2-CG2 4.08Å; Y57-V107 HydrophobicContact CE2-CB 3.84Å; Y57-V107 HydrophobicContact CE2-CG2 3.29Å
58C92.2Very high88.8Confident8 Ų833.4 Ų33.45%0.05420%0.203CC..Hα-helixtrans-59.1-44.7173-176.30000111.6Q54 T55 F56 L60 G61 C62 C79 L85Q54-C58 VanDerWaalsContact O-CB 3.26Å; Q54-C58 WeakPolarHBondContact O-CB 3.07Å; Q54-C58 PolarHBondContact O-N 3.15Å; Q54-C58 VanDerWaalsContact O-N 3.08Å; T55-C58 PolarHBondContact O-N 3.05Å; F56-C58 PolarHBondContact O-N 3.35Å; C58-L60 PolarHBondContact O-N 2.9Å; C58-G61 PolarHBondContact O-N 3.25Å; C58-C62 WeakPolarHBondContact O-CB 3.27Å; C58-C62 PolarHBondContact O-N 3.05Å; C58-C62 PolarHBondContact O-SG 3.46Å; C58-C79 HydrophobicContact CB-CB 3.77Å; C58-C79 WeakPolarHBondContact CB-SG 3.48Å; C58-C79 PolarHBondContact O-SG 3.47Å; C58-C79 WeakPolarHBondContact SG-CA 3.11Å; C58-C79 WeakPolarHBondContact SG-CB 3.48Å; C58-C79 CovalentContact SG-SG 2.04Å; C58-C79 PolarHBondContact SG-SG 2.87Å; C58-L85 HydrophobicContact CB-CD2 3.68Å
59Y92.8Very high89.1Confident14 Ų1434.3 Ų34.36%0.05520%0.202CC..Hα-helixtrans-62.3-43.9176.7-91.9-107.8000112V39 Y42 L46 T55 F56 Y57 C62 S63 F72 L76 C79 N80V39-Y59 HydrophobicContact CG2-CD1 4.15Å; Y42-Y59 HydrophobicContact CD1-CD1 4.37Å; Y42-Y59 AromaticContact CD1-CE1 3.56Å; Y42-Y59 HydrophobicContact CD1-CE1 3.56Å; Y42-Y59 HydrophobicContact CD2-CD1 4.17Å; Y42-Y59 AromaticContact CD2-CE1 3.97Å; Y42-Y59 HydrophobicContact CD2-CE1 3.97Å; Y42-Y59 AromaticContact CE1-CE1 3.9Å; Y42-Y59 HydrophobicContact CE1-CE1 3.9Å; Y42-Y59 HydrophobicContact CE2-CE1 4.3Å; Y42-Y59 AromaticContact CG-CD1 3.94Å; Y42-Y59 HydrophobicContact CG-CD1 3.94Å; Y42-Y59 AromaticContact CG-CE1 3.57Å; Y42-Y59 HydrophobicContact CG-CE1 3.57Å; L46-Y59 HydrophobicContact CD1-CD1 3.98Å; L46-Y59 HydrophobicContact CD1-CG 3.94Å; L46-Y59 HydrophobicContact CD2-CD1 4.26Å; L46-Y59 HydrophobicContact CD2-CD2 4.02Å; L46-Y59 HydrophobicContact CD2-CE2 4.48Å; L46-Y59 HydrophobicContact CD2-CG 3.89Å; T55-Y59 HydrophobicContact CG2-CD2 3.96Å; T55-Y59 HydrophobicContact CG2-CE2 3.86Å; T55-Y59 WeakPolarHBondContact O-CD2 3.46Å; T55-Y59 PolarHBondContact O-N 3.4Å; T55-Y59 VanDerWaalsContact O-N 3.08Å; F56-Y59 PolarHBondContact O-N 2.97Å; Y57-Y59 VanDerWaalsContact C-N 3.33Å; Y57-Y59 PolarHBondContact O-N 2.8Å; Y59-C62 PolarHBondContact O-N 2.73Å; Y59-S63 PolarHBondContact O-N 2.91Å; Y59-F72 HydrophobicContact CD1-CZ 4.22Å; Y59-L76 HydrophobicContact CD1-CD2 3.66Å; Y59-L76 HydrophobicContact CE1-CD2 3.27Å; Y59-L76 HydrophobicContact CE2-CD2 4.37Å; Y59-L76 HydrophobicContact CG-CD2 4.36Å; Y59-C79 HydrophobicContact CD2-CB 3.54Å; Y59-C79 HydrophobicContact CE2-CB 3.49Å; Y59-C79 VanDerWaalsContact CE2-CB 3.49Å; Y59-N80 PolarHBondContact OH-ND2 3.49Å; Y59-N80 PolarHBondContact OH-OD1 3.27Å
60L91.9Very high89.9Confident2 Ų237.9 Ų37.91%0.0122%0.217CC..Hα-helixtrans-64.1-45.7176.8-65.4-176.4000111.8V39 F56 Y57 C58 C62 S63 H64 V97 Y121V39-L60 HydrophobicContact CG1-CD2 4.12Å; V39-L60 HydrophobicContact CG2-CD2 4.44Å; F56-L60 HydrophobicContact CD1-CD1 3.92Å; F56-L60 HydrophobicContact CE1-CD1 3.34Å; F56-L60 HydrophobicContact CE1-CG 4.23Å; F56-L60 HydrophobicContact CZ-CD1 3.85Å; F56-L60 PolarHBondContact O-N 3.19Å; Y57-L60 HydrophobicContact CD1-CD1 4.32Å; Y57-L60 HydrophobicContact CE1-CD1 4.49Å; Y57-L60 PolarHBondContact O-N 3.13Å; C58-L60 PolarHBondContact O-N 2.9Å; L60-C62 VanDerWaalsContact C-N 3.34Å; L60-C62 PolarHBondContact O-N 2.89Å; L60-S63 PolarHBondContact O-N 2.04Å; L60-S63 VanDerWaalsContact O-N 3.15Å; L60-H64 WeakPolarHBondContact O-CB 3.04Å; L60-H64 PolarHBondContact O-N 3.45Å; L60-V97 HydrophobicContact CB-CB 4.42Å; L60-V97 HydrophobicContact CB-CG1 4.06Å; L60-V97 HydrophobicContact CB-CG2 4.1Å; L60-V97 HydrophobicContact CD1-CG2 4.26Å; L60-Y121 HydrophobicContact CD1-CD2 4.16Å; L60-Y121 HydrophobicContact CD1-CE2 3.53Å
61G91.6Very high90.6Very high1 Ų136.1 Ų36.11%0.0120%0.2CC..Hα-helixtrans-63-38.3177.600000112.8Y57 C58 N65Y57-G61 PolarHBondContact O-N 3.28Å; C58-G61 PolarHBondContact O-N 3.25Å; G61-N65 WeakPolarHBondContact O-CB 3.42Å; G61-N65 PolarHBondContact O-N 3.49Å; G61-N65 PolarHBondContact O-ND2 3.46Å
62C92Very high91Very high5 Ų534.4 Ų34.43%0.03419%0.19CC..Hα-helixtrans-60.6-44.9171.3-76.90000111.8C58 Y59 L60 A66 F72 C75 C79C58-C62 WeakPolarHBondContact O-CB 3.27Å; C58-C62 PolarHBondContact O-N 3.05Å; C58-C62 PolarHBondContact O-SG 3.46Å; Y59-C62 PolarHBondContact O-N 2.73Å; L60-C62 VanDerWaalsContact C-N 3.34Å; L60-C62 PolarHBondContact O-N 2.89Å; C62-A66 WeakPolarHBondContact O-CB 3.37Å; C62-A66 PolarHBondContact O-N 3.06Å; C62-A66 VanDerWaalsContact O-N 3.15Å; C62-F72 HydrophobicContact CB-CD2 3.9Å; C62-F72 HydrophobicContact CB-CE2 3.92Å; C62-C75 VanDerWaalsContact CA-SG 3.5Å; C62-C75 HydrophobicContact CB-CB 3.59Å; C62-C75 WeakPolarHBondContact CB-SG 3.02Å; C62-C75 WeakPolarHBondContact SG-CB 3.26Å; C62-C75 CovalentContact SG-SG 2.03Å; C62-C75 PolarHBondContact SG-SG 3.22Å; C62-C79 PolarHBondContact SG-SG 3.41Å
63S92.1Very high91.3Very high5 Ų537.1 Ų37.14%0.03520%0.203CC..Hα-helixtrans-67.7-43.1180-172.80000112.1N36 Y59 L60 N65 A66N36-S63 VanDerWaalsContact CB-OG 3.26Å; N36-S63 WeakPolarHBondContact CB-OG 3.43Å; N36-S63 PolarHBondContact OD1-OG 2.94Å; N36-S63 VanDerWaalsContact OD1-OG 3.08Å; Y59-S63 PolarHBondContact O-N 2.91Å; L60-S63 PolarHBondContact O-N 2.04Å; L60-S63 VanDerWaalsContact O-N 3.15Å; S63-N65 VanDerWaalsContact C-N 3.26Å; S63-N65 PolarHBondContact O-N 3.31Å; S63-A66 PolarHBondContact O-N 2.69Å
64H90.4Very high91.5Very high106 Ų10642.9 Ų42.949%0.49123%0.227SC..Hα-helixtrans-61.2-35.5179.5-173.893.2000112.5L60 R96 V97L60-H64 WeakPolarHBondContact O-CB 3.04Å; L60-H64 PolarHBondContact O-N 3.45Å; H64-R96 PolarHBondContact CE1-O 2.94Å; H64-R96 PolarHBondContact NE2-O 3.43Å; H64-V97 HydrophobicContact CB-CG1 3.71Å
65N88.8Confident91.6Very high91 Ų9142.6 Ų42.649%0.48723%0.229SC..Hα-helixtrans-88.3-11179.6-73.1-24000114.2G61 S63 R96G61-N65 WeakPolarHBondContact O-CB 3.42Å; G61-N65 PolarHBondContact O-N 3.49Å; G61-N65 PolarHBondContact O-ND2 3.46Å; S63-N65 VanDerWaalsContact C-N 3.26Å; S63-N65 PolarHBondContact O-N 3.31Å; N65-R96 PolarHBondContact ND2-NH1 3.14Å
66A90.9Very high91.7Very high14 Ų1441.3 Ų41.312%0.11622%0.221CC..  trans-78.4130.7-176.300000110.7Y38 C62 S63 D71 F72Y38-A66 HydrophobicContact CD2-CB 3.77Å; Y38-A66 HydrophobicContact CE2-CB 3.94Å; Y38-A66 WeakPolarHBondContact CE2-O 3.24Å; C62-A66 WeakPolarHBondContact O-CB 3.37Å; C62-A66 PolarHBondContact O-N 3.06Å; C62-A66 VanDerWaalsContact O-N 3.15Å; S63-A66 PolarHBondContact O-N 2.69Å; A66-D71 HydrophobicContact CB-CB 4.17Å; A66-F72 HydrophobicContact CB-CB 3.68Å
67S91.7Very high91.6Very high100 Ų10045.1 Ų45.170%0.69925%0.246SC*.SBendtrans-87.5-12.4171.8-60.90000112.8
68N92.1Very high91.4Very high64 Ų6451.2 Ų51.234%0.34227%0.273SS..SBendtrans-163.5168.8179.156.973.2000109.9Y38 N70 D71 F72Y38-N68 WeakPolarHBondContact OH-CA 3.45Å; N68-N70 PolarHBondContact O-N 3.21Å; N68-N70 WeakPolarHBondContact OD1-CA 3.41Å; N68-N70 VanDerWaalsContact OD1-CB 3.29Å; N68-N70 WeakPolarHBondContact OD1-CB 3.22Å; N68-N70 PolarHBondContact OD1-N 3.39Å; N68-D71 PolarHBondContact ND2-OD2 3.4Å; N68-D71 PolarHBondContact O-N 3.47Å; N68-D71 VanDerWaalsContact O-N 3.13Å; N68-D71 PolarHBondContact OD1-N 2.84Å; N68-F72 PolarHBondContact O-N 3.42Å
69Q91.4Very high91.2Very high65 Ų6551 Ų5130%0.30427%0.271SS..Hα-helixtrans-56-35.2179.8-174.763.955.400113.7Y38 F72 D73Y38-Q69 HydrophobicContact CD1-CB 4.2Å; Y38-Q69 HydrophobicContact CE1-CB 4.38Å; Q69-F72 PolarHBondContact O-N 2.96Å; Q69-D73 PolarHBondContact NE2-OD1 3.46Å; Q69-D73 WeakPolarHBondContact O-CB 3.34Å; Q69-D73 PolarHBondContact O-N 2.97Å
70N93.7Very high90.8Very high91 Ų9155.2 Ų55.249%0.48730%0.295SS..Hα-helixtrans-70.3-35.2-179.1-179.147.4000111.9N68 K74N68-N70 PolarHBondContact O-N 3.21Å; N68-N70 WeakPolarHBondContact OD1-CA 3.41Å; N68-N70 VanDerWaalsContact OD1-CB 3.29Å; N68-N70 WeakPolarHBondContact OD1-CB 3.22Å; N68-N70 PolarHBondContact OD1-N 3.39Å; N70-K74 WeakPolarHBondContact ND2-CE 3.1Å; N70-K74 PolarHBondContact ND2-NZ 3.18Å; N70-K74 VanDerWaalsContact ND2-NZ 3.18Å; N70-K74 VanDerWaalsContact O-CG 3.24Å; N70-K74 WeakPolarHBondContact O-CG 3.31Å; N70-K74 PolarHBondContact O-N 3.48Å
71D93.3Very high89.6Confident58 Ų5856.4 Ų56.431%0.3131%0.308SS..Hα-helixtrans-67.8-40.8174.3-64.5-26.9000111.2A66 N68 K74 C75A66-D71 HydrophobicContact CB-CB 4.17Å; N68-D71 PolarHBondContact ND2-OD2 3.4Å; N68-D71 PolarHBondContact O-N 3.47Å; N68-D71 VanDerWaalsContact O-N 3.13Å; N68-D71 PolarHBondContact OD1-N 2.84Å; D71-K74 PolarHBondContact O-N 2.89Å; D71-K74 IonicContact OD1-NZ 3.71Å; D71-C75 PolarHBondContact O-N 3.28Å
72F93.2Very high88Confident0 Ų061.6 Ų61.60%034%0.344CS..Hα-helixtrans-61.3-49.7172.7178.3-101.8000111.8Y38 V39 Y42 Y59 C62 A66 N68 Q69 K74 C75 L76Y38-F72 HydrophobicContact CD2-CB 4.39Å; Y38-F72 HydrophobicContact CG-CB 4.14Å; Y38-F72 HydrophobicContact CG-CG 4.37Å; Y38-F72 WeakPolarHBondContact O-CE1 3.17Å; V39-F72 HydrophobicContact CB-CE2 4.41Å; V39-F72 HydrophobicContact CB-CZ 4.3Å; V39-F72 HydrophobicContact CG2-CZ 4.28Å; Y42-F72 HydrophobicContact CD2-CE1 4.17Å; Y42-F72 HydrophobicContact CD2-CZ 4.15Å; Y42-F72 AromaticContact CE2-CE1 3.66Å; Y42-F72 HydrophobicContact CE2-CE1 3.66Å; Y42-F72 HydrophobicContact CE2-CZ 4.09Å; Y59-F72 HydrophobicContact CD1-CZ 4.22Å; C62-F72 HydrophobicContact CB-CD2 3.9Å; C62-F72 HydrophobicContact CB-CE2 3.92Å; A66-F72 HydrophobicContact CB-CB 3.68Å; N68-F72 PolarHBondContact O-N 3.42Å; Q69-F72 PolarHBondContact O-N 2.96Å; F72-K74 VanDerWaalsContact C-N 3.27Å; F72-K74 PolarHBondContact O-N 2.93Å; F72-C75 WeakPolarHBondContact O-CA 3.04Å; F72-C75 VanDerWaalsContact O-CB 3.27Å; F72-C75 WeakPolarHBondContact O-CB 3.28Å; F72-C75 PolarHBondContact O-N 3.39Å; F72-L76 HydrophobicContact CD1-CD1 4.21Å; F72-L76 HydrophobicContact CD1-CD2 4.43Å; F72-L76 HydrophobicContact CD1-CG 4.2Å; F72-L76 HydrophobicContact CE1-CD1 3.78Å; F72-L76 HydrophobicContact CE1-CD2 3.69Å; F72-L76 HydrophobicContact CE1-CG 3.85Å; F72-L76 HydrophobicContact CE2-CD2 4.14Å; F72-L76 HydrophobicContact CZ-CD1 4.48Å; F72-L76 HydrophobicContact CZ-CD2 3.53Å; F72-L76 HydrophobicContact CZ-CG 4.18Å; F72-L76 PolarHBondContact O-N 2.92Å; F72-L76 VanDerWaalsContact O-N 3.13Å
73D92.3Very high86.3Confident61 Ų6167.2 Ų67.233%0.32638%0.38SS..Hα-helixtrans-62.3-32.3-178.9-72.5-23.4000112.2R41 Q69 C75 P77R41-D73 IonicContact NH2-OD1 3.1Å; R41-D73 PolarHBondContact NH2-OD1 2.86Å; Q69-D73 PolarHBondContact NE2-OD1 3.46Å; Q69-D73 WeakPolarHBondContact O-CB 3.34Å; Q69-D73 PolarHBondContact O-N 2.97Å; D73-C75 VanDerWaalsContact C-N 3.29Å; D73-C75 PolarHBondContact O-N 3.46Å; D73-P77 VanDerWaalsContact O-CD 3.28Å; D73-P77 WeakPolarHBondContact O-CD 3.47Å
74K91.8Very high84.6Confident128 Ų12873.3 Ų73.356%0.55741%0.408SS*.Hα-helixtrans-69.9-24.3171.9-73.9168.2-172.7165.90113.5N70 D71 F72 P77N70-K74 WeakPolarHBondContact ND2-CE 3.1Å; N70-K74 PolarHBondContact ND2-NZ 3.18Å; N70-K74 VanDerWaalsContact ND2-NZ 3.18Å; N70-K74 VanDerWaalsContact O-CG 3.24Å; N70-K74 WeakPolarHBondContact O-CG 3.31Å; N70-K74 PolarHBondContact O-N 3.48Å; D71-K74 PolarHBondContact O-N 2.89Å; D71-K74 IonicContact OD1-NZ 3.71Å; F72-K74 VanDerWaalsContact C-N 3.27Å; F72-K74 PolarHBondContact O-N 2.93Å; K74-P77 WeakPolarHBondContact O-CD 3.38Å
75C90.9Very high84Confident34 Ų3470 Ų7023%0.2339%0.394CS..Hα-helixtrans-81.3-35.3179.1-166.70000111.7C62 D71 F72 D73 P77 K78C62-C75 VanDerWaalsContact CA-SG 3.5Å; C62-C75 HydrophobicContact CB-CB 3.59Å; C62-C75 WeakPolarHBondContact CB-SG 3.02Å; C62-C75 WeakPolarHBondContact SG-CB 3.26Å; C62-C75 CovalentContact SG-SG 2.03Å; C62-C75 PolarHBondContact SG-SG 3.22Å; D71-C75 PolarHBondContact O-N 3.28Å; F72-C75 WeakPolarHBondContact O-CA 3.04Å; F72-C75 VanDerWaalsContact O-CB 3.27Å; F72-C75 WeakPolarHBondContact O-CB 3.28Å; F72-C75 PolarHBondContact O-N 3.39Å; D73-C75 VanDerWaalsContact C-N 3.29Å; D73-C75 PolarHBondContact O-N 3.46Å; C75-P77 VanDerWaalsContact C-CD 3.42Å; C75-K78 WeakPolarHBondContact O-CB 3.27Å; C75-K78 PolarHBondContact O-N 3Å
76L90.3Very high83.8Confident12 Ų1269.1 Ų69.16%0.06339%0.392CS..Hα-helixtrans-50-40.7-177.3-71.1-177.4000116.3Y42 Y59 F72 K78 C79 N80Y42-L76 HydrophobicContact CE2-CD1 4.2Å; Y42-L76 VanDerWaalsContact OH-CD1 3.26Å; Y42-L76 WeakPolarHBondContact OH-CD1 3.21Å; Y59-L76 HydrophobicContact CD1-CD2 3.66Å; Y59-L76 HydrophobicContact CE1-CD2 3.27Å; Y59-L76 HydrophobicContact CE2-CD2 4.37Å; Y59-L76 HydrophobicContact CG-CD2 4.36Å; F72-L76 HydrophobicContact CD1-CD1 4.21Å; F72-L76 HydrophobicContact CD1-CD2 4.43Å; F72-L76 HydrophobicContact CD1-CG 4.2Å; F72-L76 HydrophobicContact CE1-CD1 3.78Å; F72-L76 HydrophobicContact CE1-CD2 3.69Å; F72-L76 HydrophobicContact CE1-CG 3.85Å; F72-L76 HydrophobicContact CE2-CD2 4.14Å; F72-L76 HydrophobicContact CZ-CD1 4.48Å; F72-L76 HydrophobicContact CZ-CD2 3.53Å; F72-L76 HydrophobicContact CZ-CG 4.18Å; F72-L76 PolarHBondContact O-N 2.92Å; F72-L76 VanDerWaalsContact O-N 3.13Å; L76-K78 PolarHBondContact O-N 3.06Å; L76-K78 VanDerWaalsContact O-N 3.12Å; L76-C79 PolarHBondContact O-N 2.05Å; L76-N80 PolarHBondContact O-N 3.36Å; L76-N80 PolarHBondContact O-ND2 3.03Å
77P89.1Confident83.6Confident85 Ų8572.9 Ų72.955%0.55241%0.407SS*.Hα-helixtrans-56.2-29.4177.8-27.635.9000113.5D73 K74 C75 G81D73-P77 VanDerWaalsContact O-CD 3.28Å; D73-P77 WeakPolarHBondContact O-CD 3.47Å; K74-P77 WeakPolarHBondContact O-CD 3.38Å; C75-P77 VanDerWaalsContact C-CD 3.42Å; P77-G81 PolarHBondContact O-N 3.03Å
78K86.9Confident83.5Confident131 Ų13171.8 Ų71.857%0.5740%0.4SS*.Hα-helixtrans-70.4-34.9176.3-60.1179.8179.1178.70112.3C75 L76C75-K78 WeakPolarHBondContact O-CB 3.27Å; C75-K78 PolarHBondContact O-N 3Å; L76-K78 PolarHBondContact O-N 3.06Å; L76-K78 VanDerWaalsContact O-N 3.12Å
79C88.7Confident83.3Confident3 Ų370.2 Ų70.22%0.0239%0.393CS..Hα-helixtrans-79.4-30.1178.3-53.10000112.7C58 Y59 C62 L76 L85C58-C79 HydrophobicContact CB-CB 3.77Å; C58-C79 WeakPolarHBondContact CB-SG 3.48Å; C58-C79 PolarHBondContact O-SG 3.47Å; C58-C79 WeakPolarHBondContact SG-CA 3.11Å; C58-C79 WeakPolarHBondContact SG-CB 3.48Å; C58-C79 CovalentContact SG-SG 2.04Å; C58-C79 PolarHBondContact SG-SG 2.87Å; Y59-C79 HydrophobicContact CD2-CB 3.54Å; Y59-C79 HydrophobicContact CE2-CB 3.49Å; Y59-C79 VanDerWaalsContact CE2-CB 3.49Å; C62-C79 PolarHBondContact SG-SG 3.41Å; L76-C79 PolarHBondContact O-N 2.05Å; C79-L85 WeakPolarHBondContact O-CD1 3.29Å
80N83.2Confident83.3Confident104 Ų10467.1 Ų67.156%0.55638%0.379SS*.Hα-helixtrans-84.2-17.8177.3-64.9-33.4000112.6Y59 L76Y59-N80 PolarHBondContact OH-ND2 3.49Å; Y59-N80 PolarHBondContact OH-OD1 3.27Å; L76-N80 PolarHBondContact O-N 3.36Å; L76-N80 PolarHBondContact O-ND2 3.03Å
81G66.6Low83.3Confident27 Ų2766.3 Ų66.328%0.27837%0.372SS..  trans-86.3104.6174.400000111.6P77 P83P77-G81 PolarHBondContact O-N 3.03Å; G81-P83 VanDerWaalsContact C-N 3.3Å; G81-P83 WeakPolarHBondContact O-CD 3.43Å; G81-P83 VanDerWaalsContact O-N 3.09Å
82S58.3Low83.2Confident109 Ų10968.5 Ų68.576%0.76238%0.384SS*.G310 helixtrans-47.5-32.6176.5-1310000117.1Q84S82-Q84 PolarHBondContact O-N 3.29Å
83P56.7Low83.1Confident123 Ų12369.7 Ų69.780%0.79939%0.39SS*.G310 helixtrans-73.84.6-171.824.6-31.3000116.3G81G81-P83 VanDerWaalsContact C-N 3.3Å; G81-P83 WeakPolarHBondContact O-CD 3.43Å; G81-P83 VanDerWaalsContact O-N 3.09Å
84Q57.3Low83.1Confident133 Ų13366.8 Ų66.862%0.62138%0.375SS*.G310 helixtrans-125.2-0.4-179.2-62.8-145.412.600116.1S82 T86 S89S82-Q84 PolarHBondContact O-N 3.29Å; Q84-T86 VanDerWaalsContact C-N 3.27Å; Q84-T86 PolarHBondContact O-N 2.91Å; Q84-S89 PolarHBondContact O-OG 3.1Å
85L76.8Confident83.1Confident36 Ų3662.4 Ų62.419%0.18837%0.366CS..  trans-89.268.6-179.6-66.1-175.2000110.8Q54 T55 C58 C79Q54-L85 HydrophobicContact CB-CB 3.79Å; Q54-L85 HydrophobicContact CB-CD1 4.45Å; T55-L85 WeakPolarHBondContact OG1-CD1 3.2Å; C58-L85 HydrophobicContact CB-CD2 3.68Å; C79-L85 WeakPolarHBondContact O-CD1 3.29Å
86T84.2Confident83Confident73 Ų7366.6 Ų66.645%0.44838%0.377SS..  trans-76.1160170.364.30000110.9Q84 S88 S89 C90Q84-T86 VanDerWaalsContact C-N 3.27Å; Q84-T86 PolarHBondContact O-N 2.91Å; T86-S88 PolarHBondContact O-N 3.31Å; T86-S89 PolarHBondContact N-OG 3.02Å; T86-S89 PolarHBondContact O-N 3.46Å; T86-S89 PolarHBondContact O-OG 3.11Å; T86-S89 PolarHBondContact OG1-N 2.78Å; T86-S89 PolarHBondContact OG1-OG 3.18Å; T86-C90 PolarHBondContact O-N 3.36Å
87E86.9Confident82.9Confident93 Ų9367 Ų6744%0.43538%0.38SS..Hα-helixtrans-55.7-41.2169.7-171.7-176.7157.400111.2S89 C90 Q91 C108E87-S89 PolarHBondContact O-N 3.01Å; E87-C90 WeakPolarHBondContact O-CB 3.42Å; E87-C90 PolarHBondContact O-N 3Å; E87-Q91 HydrophobicContact CG-CG 4.44Å; E87-Q91 WeakPolarHBondContact O-CG 3.24Å; E87-Q91 PolarHBondContact O-N 3.42Å; E87-Q91 PolarHBondContact OE1-NE2 3.46Å; E87-C108 HydrophobicContact CG-CB 3.91Å
88S89.4Confident82.9Confident78 Ų7863.6 Ų63.655%0.54536%0.358SS..Hα-helixtrans-62.2-42.5178-50.10000113.4T86 Q91 N92T86-S88 PolarHBondContact O-N 3.31Å; S88-Q91 PolarHBondContact O-N 3.1Å; S88-N92 PolarHBondContact O-N 3.37Å; S88-N92 PolarHBondContact O-ND2 3.05Å
89S89.2Confident83Confident30 Ų3061.6 Ų61.621%0.2136%0.356CS..Hα-helixtrans-68.5-41.2176.546.60000111.2Q84 T86 E87 Q91 N92 D93Q84-S89 PolarHBondContact O-OG 3.1Å; T86-S89 PolarHBondContact N-OG 3.02Å; T86-S89 PolarHBondContact O-N 3.46Å; T86-S89 PolarHBondContact O-OG 3.11Å; T86-S89 PolarHBondContact OG1-N 2.78Å; T86-S89 PolarHBondContact OG1-OG 3.18Å; E87-S89 PolarHBondContact O-N 3.01Å; S89-Q91 PolarHBondContact O-N 3.1Å; S89-N92 WeakPolarHBondContact O-CB 3.31Å; S89-N92 PolarHBondContact O-N 2.97Å; S89-D93 PolarHBondContact O-N 3.35Å
90C91Very high83.1Confident0 Ų063.6 Ų63.60%037%0.365CS..Hα-helixtrans-58-45.6172.2176.30000112.2Q54 T86 E87 N92 D93 C94 C108Q54-C90 HydrophobicContact CB-CB 4.03Å; Q54-C90 HydrophobicContact CG-CB 3.93Å; T86-C90 PolarHBondContact O-N 3.36Å; E87-C90 WeakPolarHBondContact O-CB 3.42Å; E87-C90 PolarHBondContact O-N 3Å; C90-N92 VanDerWaalsContact C-N 3.27Å; C90-N92 PolarHBondContact O-N 3.49Å; C90-D93 PolarHBondContact O-N 3.24Å; C90-C94 VanDerWaalsContact O-CB 3.23Å; C90-C94 WeakPolarHBondContact O-CB 3.31Å; C90-C94 PolarHBondContact O-N 2.88Å; C90-C108 HydrophobicContact CB-CB 3.57Å; C90-C108 WeakPolarHBondContact CB-SG 3.47Å; C90-C108 PolarHBondContact O-SG 2.73Å; C90-C108 VanDerWaalsContact O-SG 3.4Å; C90-C108 WeakPolarHBondContact SG-CA 3.26Å; C90-C108 WeakPolarHBondContact SG-CB 3.1Å; C90-C108 CovalentContact SG-SG 2.04Å; C90-C108 PolarHBondContact SG-SG 3.23Å
91Q92.6Very high83.4Confident74 Ų7462.4 Ų62.435%0.34636%0.364SS..Hα-helixtrans-61.5-37.6179.8-74.6179.313.300111.6E87 S88 S89 G95 C104 C108E87-Q91 HydrophobicContact CG-CG 4.44Å; E87-Q91 WeakPolarHBondContact O-CG 3.24Å; E87-Q91 PolarHBondContact O-N 3.42Å; E87-Q91 PolarHBondContact OE1-NE2 3.46Å; S88-Q91 PolarHBondContact O-N 3.1Å; S89-Q91 PolarHBondContact O-N 3.1Å; Q91-G95 PolarHBondContact O-N 3.27Å; Q91-C104 HydrophobicContact CB-CB 4.38Å; Q91-C104 HydrophobicContact CG-CB 4.3Å; Q91-C108 HydrophobicContact CG-CB 3.93Å; Q91-C108 PolarHBondContact N-SG 3.43Å
92N91.8Very high84.4Confident105 Ų10565.9 Ų65.956%0.56137%0.372SS*.Hα-helixtrans-65.6-44.4174.5-75.9-60.4000112.3S88 S89 C90 R96S88-N92 PolarHBondContact O-N 3.37Å; S88-N92 PolarHBondContact O-ND2 3.05Å; S89-N92 WeakPolarHBondContact O-CB 3.31Å; S89-N92 PolarHBondContact O-N 2.97Å; C90-N92 VanDerWaalsContact C-N 3.27Å; C90-N92 PolarHBondContact O-N 3.49Å; N92-R96 WeakPolarHBondContact O-CG 3.38Å; N92-R96 PolarHBondContact O-N 3.46Å
93D91.8Very high85.9Confident24 Ų2460.7 Ų60.713%0.12834%0.336CS..Hα-helixtrans-70.4-39.2179.3-69.9-36.8000111.9Y57 S89 C90 R96Y57-D93 WeakPolarHBondContact O-CB 3.02Å; S89-D93 PolarHBondContact O-N 3.35Å; C90-D93 PolarHBondContact O-N 3.24Å; D93-R96 PolarHBondContact O-N 3.43Å; D93-R96 IonicContact OD1-NH1 3.65Å; D93-R96 PolarHBondContact OD1-NH1 2.04Å; D93-R96 VanDerWaalsContact OD1-NH1 3.1Å
94C92.5Very high87.5Confident0 Ų055.1 Ų55.10%030%0.3CS..Hα-helixtrans-57.8-50.4171170.70000111.6Y57 C90 R96 V97 T98 C104Y57-C94 VanDerWaalsContact CD1-CA 3.43Å; Y57-C94 HydrophobicContact CD1-CB 3.56Å; Y57-C94 HydrophobicContact CD2-CB 4.28Å; Y57-C94 HydrophobicContact CE1-CB 3.77Å; Y57-C94 HydrophobicContact CG-CB 3.82Å; C90-C94 VanDerWaalsContact O-CB 3.23Å; C90-C94 WeakPolarHBondContact O-CB 3.31Å; C90-C94 PolarHBondContact O-N 2.88Å; C94-R96 PolarHBondContact O-N 3.08Å; C94-V97 WeakPolarHBondContact O-CG2 3.32Å; C94-V97 PolarHBondContact O-N 3.45Å; C94-T98 WeakPolarHBondContact O-CB 3.42Å; C94-T98 WeakPolarHBondContact O-CG2 3.06Å; C94-T98 PolarHBondContact O-N 3.28Å; C94-C104 HydrophobicContact CB-CB 3.73Å; C94-C104 WeakPolarHBondContact CB-SG 3.27Å; C94-C104 WeakPolarHBondContact SG-CA 3.36Å; C94-C104 WeakPolarHBondContact SG-CB 3.29Å; C94-C104 CovalentContact SG-SG 2.05Å; C94-C104 PolarHBondContact SG-SG 3.35Å
95G92Very high89Confident36 Ų3650.5 Ų50.537%0.37129%0.288SS..Hα-helixtrans-60.1-18.6-179.600000114.7Q91 C104Q91-G95 PolarHBondContact O-N 3.27Å; G95-C104 PolarHBondContact N-SG 3.27Å; G95-C104 VanDerWaalsContact N-SG 3.36Å
96R87.8Confident89.5Confident122 Ų12251 Ų5146%0.4629%0.29SS..Hα-helixtrans-83.7-28.3175.6-69.8167.9177.2168.4-3.3113.5H64 N65 N92 D93 C94H64-R96 PolarHBondContact CE1-O 2.94Å; H64-R96 PolarHBondContact NE2-O 3.43Å; N65-R96 PolarHBondContact ND2-NH1 3.14Å; N92-R96 WeakPolarHBondContact O-CG 3.38Å; N92-R96 PolarHBondContact O-N 3.46Å; D93-R96 PolarHBondContact O-N 3.43Å; D93-R96 IonicContact OD1-NH1 3.65Å; D93-R96 PolarHBondContact OD1-NH1 2.04Å; D93-R96 VanDerWaalsContact OD1-NH1 3.1Å; C94-R96 PolarHBondContact O-N 3.08Å
97V89Confident89.8Confident20 Ų2047.5 Ų47.512%0.12127%0.269CS..Hα-helixtrans-109.8-9.1-171-56.10000113.3Y57 L60 H64 C94 Q125Y57-V97 HydrophobicContact CD1-CG2 3.8Å; Y57-V97 HydrophobicContact CE1-CG2 3.97Å; L60-V97 HydrophobicContact CB-CB 4.42Å; L60-V97 HydrophobicContact CB-CG1 4.06Å; L60-V97 HydrophobicContact CB-CG2 4.1Å; L60-V97 HydrophobicContact CD1-CG2 4.26Å; H64-V97 HydrophobicContact CB-CG1 3.71Å; C94-V97 WeakPolarHBondContact O-CG2 3.32Å; C94-V97 PolarHBondContact O-N 3.45Å; V97-Q125 PolarHBondContact O-NE2 2.97Å
98T89.3Confident89.9Confident15 Ų1543 Ų439%0.09225%0.248CC..  trans-101.3152.8-179-166.20000112.7C94 H100 P101 D124C94-T98 WeakPolarHBondContact O-CB 3.42Å; C94-T98 WeakPolarHBondContact O-CG2 3.06Å; C94-T98 PolarHBondContact O-N 3.28Å; T98-H100 PolarHBondContact OG1-N 3.4Å; T98-H100 VanDerWaalsContact OG1-N 3.09Å; T98-P101 HydrophobicContact CG2-CG 4.4Å; T98-D124 WeakPolarHBondContact CA-OD2 3.48Å; T98-D124 VanDerWaalsContact CB-OD2 3.26Å; T98-D124 WeakPolarHBondContact CB-OD2 3.34Å; T98-D124 PolarHBondContact OG1-OD1 3.27Å; T98-D124 PolarHBondContact OG1-OD2 3.27Å
99T88.6Confident89.5Confident88 Ų8841.4 Ų41.454%0.5424%0.244SC..SBendtrans-94.5-6165.9580000112.7P101 D124T99-P101 WeakPolarHBondContact O-CD 3.34Å; T99-D124 PolarHBondContact N-OD1 3.32Å; T99-D124 PolarHBondContact OG1-OD1 3.08Å
100H89.6Confident88.7Confident45 Ų4540.3 Ų40.321%0.20824%0.237CC..  trans-126.975-177.1-61.990.2000111.4T98 E102 L103 D124 F132T98-H100 PolarHBondContact OG1-N 3.4Å; T98-H100 VanDerWaalsContact OG1-N 3.09Å; H100-E102 VanDerWaalsContact CA-OE2 3.28Å; H100-E102 WeakPolarHBondContact CA-OE2 3.23Å; H100-E102 WeakPolarHBondContact CB-OE1 3.45Å; H100-E102 IonicContact CD2-OE1 2.89Å; H100-E102 IonicContact CG-OE1 3.87Å; H100-E102 PolarHBondContact O-N 3.43Å; H100-L103 HydrophobicContact CB-CD1 4.07Å; H100-L103 HydrophobicContact CB-CG 4.06Å; H100-L103 WeakPolarHBondContact O-CB 3.47Å; H100-L103 PolarHBondContact O-N 2.95Å; H100-D124 IonicContact CE1-OD1 3.96Å; H100-D124 IonicContact CG-OD1 2.84Å; H100-D124 PolarHBondContact N-OD1 2.03Å; H100-D124 IonicContact ND1-OD1 3.62Å; H100-D124 PolarHBondContact ND1-OD1 2.99Å; H100-F132 HydrophobicContact CB-CE1 4.06Å; H100-F132 HydrophobicContact CB-CE2 3.92Å; H100-F132 HydrophobicContact CB-CZ 3.48Å; H100-F132 VanDerWaalsContact CB-CZ 3.48Å; H100-F132 AromaticContact CD2-CD1 3.4Å; H100-F132 WeakPolarHBondContact CD2-CD1 3.09Å; H100-F132 AromaticContact CD2-CD2 3.93Å; H100-F132 AromaticContact CD2-CE1 3.27Å; H100-F132 WeakPolarHBondContact CD2-CE1 2.98Å; H100-F132 AromaticContact CD2-CE2 3.83Å; H100-F132 AromaticContact CD2-CG 3.7Å; H100-F132 AromaticContact CD2-CZ 3.49Å; H100-F132 VanDerWaalsContact CD2-CZ 3.49Å; H100-F132 WeakPolarHBondContact CD2-CZ 3.29Å; H100-F132 AromaticContact CE1-CD2 3.53Å; H100-F132 AromaticContact CE1-CE2 3.89Å; H100-F132 AromaticContact CE1-CG 3.68Å; H100-F132 AromaticContact CG-CD2 3.89Å; H100-F132 AromaticContact CG-CE1 3.64Å; H100-F132 AromaticContact CG-CE2 3.47Å; H100-F132 VanDerWaalsContact CG-CE2 3.47Å; H100-F132 AromaticContact CG-CZ 3.31Å; H100-F132 AromaticContact ND1-CD2 3.64Å; H100-F132 AromaticContact ND1-CE2 3.5Å; H100-F132 AromaticContact ND1-CZ 3.87Å; H100-F132 AromaticContact NE2-CD1 3.5Å; H100-F132 AromaticContact NE2-CD2 3.71Å; H100-F132 AromaticContact NE2-CE1 3.89Å; H100-F132 AromaticContact NE2-CG 3.38Å; H100-F132 WeakPolarHBondContact NE2-CG 3.04Å
101P90Very high87.6Confident80 Ų8046.1 Ų46.152%0.51927%0.268SS..G310 helixtrans-59.1-22.9-174.3-22.533000114.5T98 T99 L103 C104T98-P101 HydrophobicContact CG2-CG 4.4Å; T99-P101 WeakPolarHBondContact O-CD 3.34Å; P101-L103 PolarHBondContact O-N 3.01Å; P101-C104 VanDerWaalsContact O-CB 3.31Å; P101-C104 WeakPolarHBondContact O-CB 3.49Å; P101-C104 PolarHBondContact O-N 3.19Å
102E88.1Confident86.2Confident99 Ų9946.8 Ų46.846%0.46328%0.277SS..G310 helixtrans-62.8-21.2175.975.6-77.3-175.500113H100 C104 F132H100-E102 VanDerWaalsContact CA-OE2 3.28Å; H100-E102 WeakPolarHBondContact CA-OE2 3.23Å; H100-E102 WeakPolarHBondContact CB-OE1 3.45Å; H100-E102 IonicContact CD2-OE1 2.89Å; H100-E102 IonicContact CG-OE1 3.87Å; H100-E102 PolarHBondContact O-N 3.43Å; E102-C104 VanDerWaalsContact C-N 3.31Å; E102-F132 WeakPolarHBondContact OE1-CE1 3.33Å
103L89.1Confident84.8Confident0 Ų044.3 Ų44.30%028%0.277CS..G310 helixtrans-72.3-25.3173.4-64-174.7000112.8H100 P101 G105 I106 V107 L120 D124 F132 K136H100-L103 HydrophobicContact CB-CD1 4.07Å; H100-L103 HydrophobicContact CB-CG 4.06Å; H100-L103 WeakPolarHBondContact O-CB 3.47Å; H100-L103 PolarHBondContact O-N 2.95Å; P101-L103 PolarHBondContact O-N 3.01Å; L103-G105 VanDerWaalsContact C-N 3.31Å; L103-G105 PolarHBondContact O-N 2.98Å; L103-I106 HydrophobicContact CD2-CD1 4.31Å; L103-I106 WeakPolarHBondContact O-CA 3.48Å; L103-I106 WeakPolarHBondContact O-CB 3.48Å; L103-I106 PolarHBondContact O-N 3.17Å; L103-V107 WeakPolarHBondContact O-CG2 3.33Å; L103-V107 PolarHBondContact O-N 2.92Å; L103-L120 HydrophobicContact CD1-CB 4.18Å; L103-L120 HydrophobicContact CD2-CD1 4.28Å; L103-L120 HydrophobicContact CD2-CD2 4Å; L103-D124 HydrophobicContact CD1-CB 4.3Å; L103-F132 HydrophobicContact CD1-CE2 3.68Å; L103-F132 HydrophobicContact CD1-CZ 3.48Å; L103-F132 VanDerWaalsContact CD1-CZ 3.48Å; L103-F132 HydrophobicContact CD2-CZ 3.9Å; L103-F132 HydrophobicContact CG-CE2 4.46Å; L103-F132 HydrophobicContact CG-CZ 3.76Å; L103-K136 HydrophobicContact CD2-CD 4.19Å
104C91.6Very high83.6Confident6 Ų646 Ų464%0.04129%0.286CS..Hα-helixtrans-61.5-38.9-169.2-64.90000112.7Q91 C94 G95 P101 E102 I106 C108Q91-C104 HydrophobicContact CB-CB 4.38Å; Q91-C104 HydrophobicContact CG-CB 4.3Å; C94-C104 HydrophobicContact CB-CB 3.73Å; C94-C104 WeakPolarHBondContact CB-SG 3.27Å; C94-C104 WeakPolarHBondContact SG-CA 3.36Å; C94-C104 WeakPolarHBondContact SG-CB 3.29Å; C94-C104 CovalentContact SG-SG 2.05Å; C94-C104 PolarHBondContact SG-SG 3.35Å; G95-C104 PolarHBondContact N-SG 3.27Å; G95-C104 VanDerWaalsContact N-SG 3.36Å; P101-C104 VanDerWaalsContact O-CB 3.31Å; P101-C104 WeakPolarHBondContact O-CB 3.49Å; P101-C104 PolarHBondContact O-N 3.19Å; E102-C104 VanDerWaalsContact C-N 3.31Å; C104-I106 VanDerWaalsContact C-N 3.28Å; C104-I106 PolarHBondContact O-N 2.65Å; C104-C108 WeakPolarHBondContact O-CB 3.34Å; C104-C108 PolarHBondContact O-N 3.12Å; C104-C108 PolarHBondContact O-SG 3.02Å
105G88.3Confident82.8Confident36 Ų3648.8 Ų48.837%0.37131%0.305SS..Hα-helixtrans-64-3517400000112.9L103 G109L103-G105 VanDerWaalsContact C-N 3.31Å; L103-G105 PolarHBondContact O-N 2.98Å; G105-G109 PolarHBondContact O-N 3.23Å
106I86.6Confident82.4Confident46 Ų4647.5 Ų47.524%0.23629%0.289CS..Hα-helixtrans-72.7-48.9-178.9-63.6157.4000110.8L103 C104 F116 L120 Y140L103-I106 HydrophobicContact CD2-CD1 4.31Å; L103-I106 WeakPolarHBondContact O-CA 3.48Å; L103-I106 WeakPolarHBondContact O-CB 3.48Å; L103-I106 PolarHBondContact O-N 3.17Å; C104-I106 VanDerWaalsContact C-N 3.28Å; C104-I106 PolarHBondContact O-N 2.65Å; I106-F116 HydrophobicContact CG2-CE1 3.43Å; I106-F116 VanDerWaalsContact CG2-CE1 3.43Å; I106-F116 HydrophobicContact CG2-CZ 3.94Å; I106-L120 HydrophobicContact CG2-CD1 3.79Å; I106-Y140 WeakPolarHBondContact CD1-OH 3.31Å
107V89.7Confident82.2Confident0 Ų042.1 Ų42.10%027%0.27CS..Hα-helixtrans-74.7-39-176-59.80000111.7P53 Y57 L103 G109 G110 P117 L120P53-V107 WeakPolarHBondContact CB-O 3.28Å; P53-V107 WeakPolarHBondContact CG-O 3.05Å; Y57-V107 HydrophobicContact CD2-CG2 4.08Å; Y57-V107 HydrophobicContact CE2-CB 3.84Å; Y57-V107 HydrophobicContact CE2-CG2 3.29Å; L103-V107 WeakPolarHBondContact O-CG2 3.33Å; L103-V107 PolarHBondContact O-N 2.92Å; V107-G109 VanDerWaalsContact C-N 3.31Å; V107-G109 PolarHBondContact O-N 3.43Å; V107-G110 PolarHBondContact O-N 2.65Å; V107-P117 HydrophobicContact CB-CB 4.24Å; V107-P117 HydrophobicContact CG1-CB 4.27Å; V107-L120 HydrophobicContact CG1-CB 4.05Å; V107-L120 HydrophobicContact CG1-CD1 3.76Å
108C89.1Confident82.1Confident0 Ų042 Ų420%027%0.268CS..Hα-helixtrans-75.3-20.1-177-68.10000114Q54 E87 C90 Q91 C104 G110Q54-C108 PolarHBondContact NE2-O 3.28Å; E87-C108 HydrophobicContact CG-CB 3.91Å; C90-C108 HydrophobicContact CB-CB 3.57Å; C90-C108 WeakPolarHBondContact CB-SG 3.47Å; C90-C108 PolarHBondContact O-SG 2.73Å; C90-C108 VanDerWaalsContact O-SG 3.4Å; C90-C108 WeakPolarHBondContact SG-CA 3.26Å; C90-C108 WeakPolarHBondContact SG-CB 3.1Å; C90-C108 CovalentContact SG-SG 2.04Å; C90-C108 PolarHBondContact SG-SG 3.23Å; Q91-C108 HydrophobicContact CG-CB 3.93Å; Q91-C108 PolarHBondContact N-SG 3.43Å; C104-C108 WeakPolarHBondContact O-CB 3.34Å; C104-C108 PolarHBondContact O-N 3.12Å; C104-C108 PolarHBondContact O-SG 3.02Å; C108-G110 VanDerWaalsContact C-N 3.29Å
109G82.4Confident82.1Confident44 Ų4441.8 Ų41.845%0.45427%0.268SS..THydrogen-bonded Turntrans-82.4-3.2166.700000113.9G105 V107G105-G109 PolarHBondContact O-N 3.23Å; V107-G109 VanDerWaalsContact C-N 3.31Å; V107-G109 PolarHBondContact O-N 3.43Å
110G72.1Confident82.1Confident7 Ų737.6 Ų37.67%0.07224%0.242CC..PPolyproline II helixtrans-71.9158.6178.900000113.4P53 Q54 V107 C108P53-G110 VanDerWaalsContact CG-O 3.26Å; P53-G110 WeakPolarHBondContact CG-O 3.46Å; Q54-G110 PolarHBondContact NE2-O 3.12Å; V107-G110 PolarHBondContact O-N 2.65Å; C108-G110 VanDerWaalsContact C-N 3.29Å
111N68.1Low82.1Confident121 Ų12135.6 Ų35.665%0.64723%0.233SC*.PPolyproline II helixtrans-99.4163.7176.6-68.4-58.2000111.3D114N111-D114 PolarHBondContact N-OD2 2.95Å
112V62.7Low82Confident89 Ų8932.1 Ų32.154%0.53921%0.21SC..THydrogen-bonded Turntrans-60137.8169.5-176.40000109.4S50S50-V112 WeakPolarHBondContact O-CG1 3.42Å
113G62Low82Confident53 Ų5327.9 Ų27.955%0.54619%0.191SC..THydrogen-bonded Turntrans100.6-13.8176.300000114.8G49G49-G113 WeakPolarHBondContact O-CA 3.42Å; G49-G113 PolarHBondContact O-N 3.32Å
114D67.6Low82Confident60 Ų6028.1 Ų28.132%0.32119%0.192SC..  trans-77.9125.7-178.1-66.6-24.4000110.7N111 F116 P117N111-D114 PolarHBondContact N-OD2 2.95Å; D114-F116 PolarHBondContact O-N 3.05Å; D114-P117 HydrophobicContact CB-CG 4.23Å; D114-P117 WeakPolarHBondContact O-CD 3.33Å
115S75.5Confident81.8Confident58 Ų5828.9 Ų28.941%0.40620%0.195SC..Hα-helixtrans-70.6-19.1168.954.60000112.2L118 C119S115-L118 PolarHBondContact O-N 3.09Å; S115-C119 PolarHBondContact O-N 3.44Å
116F83.3Confident81.2Confident9 Ų927.9 Ų27.94%0.03919%0.185CC..Hα-helixtrans-61.7-48.8-174.7176.4-109000113.7I106 D114 L118 C119 L120 C139 Y140 A143 R145I106-F116 HydrophobicContact CG2-CE1 3.43Å; I106-F116 VanDerWaalsContact CG2-CE1 3.43Å; I106-F116 HydrophobicContact CG2-CZ 3.94Å; D114-F116 PolarHBondContact O-N 3.05Å; F116-L118 VanDerWaalsContact C-N 3.29Å; F116-L118 PolarHBondContact O-N 3.47Å; F116-C119 WeakPolarHBondContact O-CB 3.33Å; F116-C119 PolarHBondContact O-N 3.07Å; F116-L120 HydrophobicContact CD1-CD1 4.27Å; F116-L120 HydrophobicContact CE1-CD1 3.7Å; F116-L120 HydrophobicContact CE2-CD1 4.12Å; F116-L120 HydrophobicContact CE2-CG 4.27Å; F116-L120 HydrophobicContact CZ-CD1 3.62Å; F116-L120 HydrophobicContact CZ-CG 4.26Å; F116-L120 PolarHBondContact O-N 3.36Å; F116-C139 HydrophobicContact CD2-CB 4.02Å; F116-C139 VanDerWaalsContact CD2-O 3.29Å; F116-C139 WeakPolarHBondContact CD2-O 3.2Å; F116-C139 HydrophobicContact CE2-CB 3.94Å; F116-Y140 HydrophobicContact CE2-CD1 4.35Å; F116-Y140 HydrophobicContact CE2-CD2 4.06Å; F116-Y140 HydrophobicContact CE2-CE2 4.26Å; F116-Y140 HydrophobicContact CE2-CG 4.09Å; F116-Y140 HydrophobicContact CZ-CD1 4.21Å; F116-Y140 HydrophobicContact CZ-CD2 4.2Å; F116-Y140 AromaticContact CZ-CE1 3.98Å; F116-Y140 HydrophobicContact CZ-CE1 3.98Å; F116-Y140 AromaticContact CZ-CE2 3.96Å; F116-Y140 HydrophobicContact CZ-CE2 3.96Å; F116-Y140 HydrophobicContact CZ-CG 4.31Å; F116-Y140 AromaticContact CZ-CZ 3.85Å; F116-A143 HydrophobicContact CB-CB 4.04Å; F116-A143 HydrophobicContact CD2-CB 3.55Å; F116-A143 HydrophobicContact CE2-CB 4.18Å; F116-A143 HydrophobicContact CG-CB 3.91Å; F116-R145 VanDerWaalsContact CE1-NH1 3.25Å
117P84.4Confident79.6Confident9 Ų932.8 Ų32.86%0.05821%0.211CC..Hα-helixtrans-58.5-36.4172.1-26.735.2000114.2P53 V107 D114 L120 Y121P53-P117 HydrophobicContact CB-CB 4.44Å; V107-P117 HydrophobicContact CB-CB 4.24Å; V107-P117 HydrophobicContact CG1-CB 4.27Å; D114-P117 HydrophobicContact CB-CG 4.23Å; D114-P117 WeakPolarHBondContact O-CD 3.33Å; P117-L120 PolarHBondContact O-N 2.93Å; P117-Y121 WeakPolarHBondContact O-CB 3.45Å; P117-Y121 PolarHBondContact O-N 2.91Å
118L86.7Confident77.7Confident16 Ų1636.6 Ų36.68%0.08425%0.251CS..Hα-helixtrans-69.6-38.6177.7-60.5-176.8000111.6T24 C47 F56 S115 F116 Y121 N122T24-L118 HydrophobicContact CG2-CB 3.84Å; C47-L118 WeakPolarHBondContact O-CD1 3.48Å; F56-L118 HydrophobicContact CD2-CD2 4.38Å; F56-L118 HydrophobicContact CE2-CD2 4.17Å; F56-L118 HydrophobicContact CZ-CD2 4.47Å; S115-L118 PolarHBondContact O-N 3.09Å; F116-L118 VanDerWaalsContact C-N 3.29Å; F116-L118 PolarHBondContact O-N 3.47Å; L118-Y121 WeakPolarHBondContact O-CB 3.33Å; L118-Y121 PolarHBondContact O-N 3.37Å; L118-N122 VanDerWaalsContact O-CG 3.29Å; L118-N122 PolarHBondContact O-N 3.07Å; L118-N122 PolarHBondContact O-OD1 3.03Å
119C87.7Confident75.9Confident12 Ų1241.6 Ų41.68%0.08129%0.286CS..Hα-helixtrans-60.5-48.6173.7-176.80000111.4T24 S115 F116 Y121 N122 C123 C139 M142T24-C119 HydrophobicContact CG2-CB 4.28Å; S115-C119 PolarHBondContact O-N 3.44Å; F116-C119 WeakPolarHBondContact O-CB 3.33Å; F116-C119 PolarHBondContact O-N 3.07Å; C119-Y121 VanDerWaalsContact C-N 3.29Å; C119-Y121 PolarHBondContact O-N 2.96Å; C119-N122 WeakPolarHBondContact O-CB 3.22Å; C119-N122 PolarHBondContact O-N 2.8Å; C119-N122 VanDerWaalsContact O-N 3.12Å; C119-C123 PolarHBondContact O-N 3.34Å; C119-C123 PolarHBondContact O-SG 2.83Å; C119-C139 HydrophobicContact CB-CB 3.81Å; C119-C139 WeakPolarHBondContact CB-SG 3.43Å; C119-C139 WeakPolarHBondContact SG-CA 3.48Å; C119-C139 WeakPolarHBondContact SG-CB 3.44Å; C119-C139 CovalentContact SG-SG 2.03Å; C119-C139 PolarHBondContact SG-SG 3.33Å; C119-M142 HydrophobicContact CB-CE 4.11Å; C119-M142 WeakPolarHBondContact SG-CE 3.2Å
120L88.9Confident74.9Confident0 Ų042.2 Ų42.20%029%0.292CS..Hα-helixtrans-61.8-38.5177.6-70.9178.1000112.2L103 I106 V107 F116 P117 C123 D124 K136 C139L103-L120 HydrophobicContact CD1-CB 4.18Å; L103-L120 HydrophobicContact CD2-CD1 4.28Å; L103-L120 HydrophobicContact CD2-CD2 4Å; I106-L120 HydrophobicContact CG2-CD1 3.79Å; V107-L120 HydrophobicContact CG1-CB 4.05Å; V107-L120 HydrophobicContact CG1-CD1 3.76Å; F116-L120 HydrophobicContact CD1-CD1 4.27Å; F116-L120 HydrophobicContact CE1-CD1 3.7Å; F116-L120 HydrophobicContact CE2-CD1 4.12Å; F116-L120 HydrophobicContact CE2-CG 4.27Å; F116-L120 HydrophobicContact CZ-CD1 3.62Å; F116-L120 HydrophobicContact CZ-CG 4.26Å; F116-L120 PolarHBondContact O-N 3.36Å; P117-L120 PolarHBondContact O-N 2.93Å; L120-C123 PolarHBondContact O-N 3.18Å; L120-D124 PolarHBondContact O-N 2.92Å; L120-K136 HydrophobicContact CD2-CB 4.46Å; L120-K136 HydrophobicContact CD2-CG 3.99Å; L120-C139 HydrophobicContact CD2-CB 3.95Å; L120-C139 HydrophobicContact CG-CB 4.31Å
121Y89.4Confident75.4Confident2 Ų246.5 Ų46.51%0.00831%0.314CS..Hα-helixtrans-59.8-47.1172171.3-104.3000111.8C28 H31 C32 F56 L60 P117 L118 C119 C123 D124 Q125C28-Y121 HydrophobicContact CB-CD1 4.33Å; C28-Y121 HydrophobicContact CB-CE1 4.49Å; H31-Y121 HydrophobicContact CB-CE1 3.88Å; C32-Y121 WeakPolarHBondContact CA-OH 3.47Å; C32-Y121 HydrophobicContact CB-CE1 4.44Å; C32-Y121 PolarHBondContact N-OH 3.35Å; C32-Y121 VanDerWaalsContact N-OH 3.15Å; F56-Y121 HydrophobicContact CE1-CD1 4.23Å; F56-Y121 AromaticContact CE1-CD2 3.74Å; F56-Y121 HydrophobicContact CE1-CD2 3.74Å; F56-Y121 HydrophobicContact CE1-CE1 4.47Å; F56-Y121 HydrophobicContact CE1-CE2 4.03Å; F56-Y121 AromaticContact CE1-CG 3.84Å; F56-Y121 HydrophobicContact CE1-CG 3.84Å; F56-Y121 AromaticContact CZ-CD1 3.8Å; F56-Y121 HydrophobicContact CZ-CD1 3.8Å; F56-Y121 HydrophobicContact CZ-CD2 4.07Å; F56-Y121 AromaticContact CZ-CE1 3.83Å; F56-Y121 HydrophobicContact CZ-CE1 3.83Å; F56-Y121 HydrophobicContact CZ-CE2 4.12Å; F56-Y121 AromaticContact CZ-CG 3.91Å; F56-Y121 HydrophobicContact CZ-CG 3.91Å; F56-Y121 AromaticContact CZ-CZ 4Å; L60-Y121 HydrophobicContact CD1-CD2 4.16Å; L60-Y121 HydrophobicContact CD1-CE2 3.53Å; P117-Y121 WeakPolarHBondContact O-CB 3.45Å; P117-Y121 PolarHBondContact O-N 2.91Å; L118-Y121 WeakPolarHBondContact O-CB 3.33Å; L118-Y121 PolarHBondContact O-N 3.37Å; C119-Y121 VanDerWaalsContact C-N 3.29Å; C119-Y121 PolarHBondContact O-N 2.96Å; Y121-C123 VanDerWaalsContact C-N 3.32Å; Y121-C123 PolarHBondContact O-N 3.24Å; Y121-D124 PolarHBondContact O-N 2.92Å; Y121-Q125 HydrophobicContact CD2-CG 3.86Å; Y121-Q125 HydrophobicContact CE1-CG 4.12Å; Y121-Q125 HydrophobicContact CE2-CG 3.38Å; Y121-Q125 HydrophobicContact CG-CG 4.39Å; Y121-Q125 VanDerWaalsContact O-CG 3.29Å; Y121-Q125 WeakPolarHBondContact O-CG 3.49Å; Y121-Q125 PolarHBondContact O-N 2.04Å
122N88.8Confident76.2Confident7 Ų742 Ų424%0.03729%0.288CS..Hα-helixtrans-61.1-40.4176.8-67.7-13.1000112T24 E27 C28 L118 C119 D124 Q125 G126T24-N122 PolarHBondContact O-ND2 2.73Å; E27-N122 HydrophobicContact CG-CB 4.12Å; C28-N122 WeakPolarHBondContact CA-OD1 3.36Å; C28-N122 WeakPolarHBondContact CB-OD1 3.33Å; C28-N122 PolarHBondContact N-OD1 3.48Å; C28-N122 VanDerWaalsContact N-OD1 3.09Å; L118-N122 VanDerWaalsContact O-CG 3.29Å; L118-N122 PolarHBondContact O-N 3.07Å; L118-N122 PolarHBondContact O-OD1 3.03Å; C119-N122 WeakPolarHBondContact O-CB 3.22Å; C119-N122 PolarHBondContact O-N 2.8Å; C119-N122 VanDerWaalsContact O-N 3.12Å; N122-D124 VanDerWaalsContact C-N 3.33Å; N122-D124 PolarHBondContact O-N 3.42Å; N122-Q125 PolarHBondContact O-N 3.3Å; N122-G126 VanDerWaalsContact O-CA 3.28Å; N122-G126 WeakPolarHBondContact O-CA 3.22Å; N122-G126 PolarHBondContact O-N 2.83Å
123C88.5Confident77.4Confident11 Ų1142.3 Ų42.37%0.07429%0.287CS..Hα-helixtrans-60-44.3175.7-640000112.2C119 L120 Y121 F132 C135 C139C119-C123 PolarHBondContact O-N 3.34Å; C119-C123 PolarHBondContact O-SG 2.83Å; L120-C123 PolarHBondContact O-N 3.18Å; Y121-C123 VanDerWaalsContact C-N 3.32Å; Y121-C123 PolarHBondContact O-N 3.24Å; C123-F132 HydrophobicContact CB-CD2 4.04Å; C123-F132 HydrophobicContact CB-CE2 4.11Å; C123-C135 WeakPolarHBondContact CA-SG 3.35Å; C123-C135 HydrophobicContact CB-CB 3.7Å; C123-C135 WeakPolarHBondContact CB-SG 3.39Å; C123-C135 WeakPolarHBondContact SG-CB 3.05Å; C123-C135 PolarHBondContact SG-O 2.83Å; C123-C135 CovalentContact SG-SG 2.03Å; C123-C135 PolarHBondContact SG-SG 2.97Å; C123-C139 PolarHBondContact SG-SG 3.48Å
124D88.9Confident78.5Confident4 Ų444.7 Ų44.72%0.02128%0.284CS..Hα-helixtrans-68.4-37-179.917654.6000112.7T98 T99 H100 L103 L120 Y121 N122 F132T98-D124 WeakPolarHBondContact CA-OD2 3.48Å; T98-D124 VanDerWaalsContact CB-OD2 3.26Å; T98-D124 WeakPolarHBondContact CB-OD2 3.34Å; T98-D124 PolarHBondContact OG1-OD1 3.27Å; T98-D124 PolarHBondContact OG1-OD2 3.27Å; T99-D124 PolarHBondContact N-OD1 3.32Å; T99-D124 PolarHBondContact OG1-OD1 3.08Å; H100-D124 IonicContact CE1-OD1 3.96Å; H100-D124 IonicContact CG-OD1 2.84Å; H100-D124 PolarHBondContact N-OD1 2.03Å; H100-D124 IonicContact ND1-OD1 3.62Å; H100-D124 PolarHBondContact ND1-OD1 2.99Å; L103-D124 HydrophobicContact CD1-CB 4.3Å; L120-D124 PolarHBondContact O-N 2.92Å; Y121-D124 PolarHBondContact O-N 2.92Å; N122-D124 VanDerWaalsContact C-N 3.33Å; N122-D124 PolarHBondContact O-N 3.42Å; D124-F132 HydrophobicContact CB-CE2 4.3Å
125Q87.1Confident79.4Confident23 Ų2343.8 Ų43.811%0.10728%0.282CS..Hα-helixtrans-85.9-18.4179.1-57.6-62.3-62.500113.5H31 H35 V97 Y121 N122 N127H31-Q125 HydrophobicContact CB-CB 3.68Å; H31-Q125 HydrophobicContact CB-CG 4.09Å; H31-Q125 PolarHBondContact ND1-O 3.4Å; H35-Q125 PolarHBondContact CD2-OE1 3.45Å; V97-Q125 PolarHBondContact O-NE2 2.97Å; Y121-Q125 HydrophobicContact CD2-CG 3.86Å; Y121-Q125 HydrophobicContact CE1-CG 4.12Å; Y121-Q125 HydrophobicContact CE2-CG 3.38Å; Y121-Q125 HydrophobicContact CG-CG 4.39Å; Y121-Q125 VanDerWaalsContact O-CG 3.29Å; Y121-Q125 WeakPolarHBondContact O-CG 3.49Å; Y121-Q125 PolarHBondContact O-N 2.04Å; N122-Q125 PolarHBondContact O-N 3.3Å; Q125-N127 PolarHBondContact O-N 3.44Å
126G75.3Confident80Confident14 Ų1443.1 Ų43.114%0.14427%0.272CS..  trans-74.138.9-173.100000114.7N122 G128 S129N122-G126 VanDerWaalsContact O-CA 3.28Å; N122-G126 WeakPolarHBondContact O-CA 3.22Å; N122-G126 PolarHBondContact O-N 2.83Å; G126-G128 PolarHBondContact O-N 3.31Å; G126-S129 PolarHBondContact O-N 3Å
127N54.5Low80.1Confident149 Ų14946.3 Ų46.380%0.79729%0.292SS*.THydrogen-bonded Turntrans-5844.2-168.2-135.5-5.3000116Q125Q125-N127 PolarHBondContact O-N 3.44Å
128G49.4Very low80.1Confident80 Ų8050.9 Ų50.983%0.82531%0.311SS*.THydrogen-bonded Turntrans178.13.4-174.100000117.6G126G126-G128 PolarHBondContact O-N 3.31Å
129S51.8Low80.1Confident105 Ų10550.1 Ų50.173%0.73431%0.307SS*.SBendtrans-114.7-7.6-178.560.40000116.3G126G126-S129 PolarHBondContact O-N 3Å
130G60.3Low79.9Confident58 Ų5852.5 Ų52.560%0.59832%0.315SS*.SBendtrans173.4177.9178.900000113.9F132G130-F132 PolarHBondContact O-N 3.38Å
131N82.2Confident79.6Confident97 Ų9759 Ų5952%0.51935%0.345SS..  trans-67.4126.1171.7-175.8-2.9000109.1D133 E134 C135N131-D133 PolarHBondContact O-N 3Å; N131-D133 PolarHBondContact OD1-N 3.06Å; N131-E134 HydrophobicContact CB-CB 4.17Å; N131-E134 WeakPolarHBondContact O-CB 3.35Å; N131-E134 PolarHBondContact O-N 2.93Å; N131-C135 PolarHBondContact O-N 3.09Å; N131-C135 VanDerWaalsContact O-N 3.08Å
132F86.4Confident79Confident26 Ų2663.3 Ų63.311%0.11437%0.367CS..Hα-helixtrans-51.3-41.2177.7170-98.8000111.9H100 E102 L103 C123 D124 G130 E134 C135 K136H100-F132 HydrophobicContact CB-CE1 4.06Å; H100-F132 HydrophobicContact CB-CE2 3.92Å; H100-F132 HydrophobicContact CB-CZ 3.48Å; H100-F132 VanDerWaalsContact CB-CZ 3.48Å; H100-F132 AromaticContact CD2-CD1 3.4Å; H100-F132 WeakPolarHBondContact CD2-CD1 3.09Å; H100-F132 AromaticContact CD2-CD2 3.93Å; H100-F132 AromaticContact CD2-CE1 3.27Å; H100-F132 WeakPolarHBondContact CD2-CE1 2.98Å; H100-F132 AromaticContact CD2-CE2 3.83Å; H100-F132 AromaticContact CD2-CG 3.7Å; H100-F132 AromaticContact CD2-CZ 3.49Å; H100-F132 VanDerWaalsContact CD2-CZ 3.49Å; H100-F132 WeakPolarHBondContact CD2-CZ 3.29Å; H100-F132 AromaticContact CE1-CD2 3.53Å; H100-F132 AromaticContact CE1-CE2 3.89Å; H100-F132 AromaticContact CE1-CG 3.68Å; H100-F132 AromaticContact CG-CD2 3.89Å; H100-F132 AromaticContact CG-CE1 3.64Å; H100-F132 AromaticContact CG-CE2 3.47Å; H100-F132 VanDerWaalsContact CG-CE2 3.47Å; H100-F132 AromaticContact CG-CZ 3.31Å; H100-F132 AromaticContact ND1-CD2 3.64Å; H100-F132 AromaticContact ND1-CE2 3.5Å; H100-F132 AromaticContact ND1-CZ 3.87Å; H100-F132 AromaticContact NE2-CD1 3.5Å; H100-F132 AromaticContact NE2-CD2 3.71Å; H100-F132 AromaticContact NE2-CE1 3.89Å; H100-F132 AromaticContact NE2-CG 3.38Å; H100-F132 WeakPolarHBondContact NE2-CG 3.04Å; E102-F132 WeakPolarHBondContact OE1-CE1 3.33Å; L103-F132 HydrophobicContact CD1-CE2 3.68Å; L103-F132 HydrophobicContact CD1-CZ 3.48Å; L103-F132 VanDerWaalsContact CD1-CZ 3.48Å; L103-F132 HydrophobicContact CD2-CZ 3.9Å; L103-F132 HydrophobicContact CG-CE2 4.46Å; L103-F132 HydrophobicContact CG-CZ 3.76Å; C123-F132 HydrophobicContact CB-CD2 4.04Å; C123-F132 HydrophobicContact CB-CE2 4.11Å; D124-F132 HydrophobicContact CB-CE2 4.3Å; G130-F132 PolarHBondContact O-N 3.38Å; F132-E134 VanDerWaalsContact C-N 3.31Å; F132-E134 PolarHBondContact O-N 3.1Å; F132-C135 PolarHBondContact O-N 3.01Å; F132-K136 HydrophobicContact CE1-CD 3.97Å; F132-K136 HydrophobicContact CZ-CD 4.32Å; F132-K136 VanDerWaalsContact O-CB 3.29Å; F132-K136 WeakPolarHBondContact O-CB 3.44Å; F132-K136 PolarHBondContact O-N 3.47Å
133D86.6Confident78.5Confident96 Ų9664.9 Ų64.951%0.51338%0.38SS..Hα-helixtrans-61.2-39.6178.2-72.1-36.2000112.2N131 K136 T137N131-D133 PolarHBondContact O-N 3Å; N131-D133 PolarHBondContact OD1-N 3.06Å; D133-K136 PolarHBondContact O-N 3.43Å; D133-T137 PolarHBondContact O-N 3.14Å; D133-T137 PolarHBondContact O-OG1 3.33Å; D133-T137 VanDerWaalsContact O-OG1 3.08Å
134E86Confident77.9Confident102 Ų10267.8 Ų67.848%0.47741%0.413SS..Hα-helixtrans-67.8-42.3177.8-169.3-167.2148.200111.1N131 F132 T137 K138N131-E134 HydrophobicContact CB-CB 4.17Å; N131-E134 WeakPolarHBondContact O-CB 3.35Å; N131-E134 PolarHBondContact O-N 2.93Å; F132-E134 VanDerWaalsContact C-N 3.31Å; F132-E134 PolarHBondContact O-N 3.1Å; E134-T137 PolarHBondContact O-N 3.37Å; E134-K138 WeakPolarHBondContact O-CG 3.45Å; E134-K138 PolarHBondContact O-N 3.42Å; E134-K138 VanDerWaalsContact O-N 3.11Å; E134-K138 WeakPolarHBondContact OE1-CE 3.03Å; E134-K138 IonicContact OE1-NZ 3.94Å; E134-K138 PolarHBondContact OE1-NZ 3.09Å
135C86.9Confident76.7Confident42 Ų4276.1 Ų76.128%0.28444%0.443SS..Hα-helixtrans-62.3-46.1175.6-172.20000111C123 N131 F132 T137 K138 C139C123-C135 WeakPolarHBondContact CA-SG 3.35Å; C123-C135 HydrophobicContact CB-CB 3.7Å; C123-C135 WeakPolarHBondContact CB-SG 3.39Å; C123-C135 WeakPolarHBondContact SG-CB 3.05Å; C123-C135 PolarHBondContact SG-O 2.83Å; C123-C135 CovalentContact SG-SG 2.03Å; C123-C135 PolarHBondContact SG-SG 2.97Å; N131-C135 PolarHBondContact O-N 3.09Å; N131-C135 VanDerWaalsContact O-N 3.08Å; F132-C135 PolarHBondContact O-N 3.01Å; C135-T137 PolarHBondContact O-N 3.35Å; C135-K138 WeakPolarHBondContact O-CB 3.15Å; C135-K138 PolarHBondContact O-N 3.15Å; C135-C139 PolarHBondContact O-N 3.28Å; C135-C139 PolarHBondContact O-SG 2.95Å; C135-C139 VanDerWaalsContact O-SG 3.36Å
136K87.2Confident76.1Confident43 Ų4378.8 Ų78.819%0.18746%0.46CS..Hα-helixtrans-56.5-50.5175.3-178.9177.7177.8178.40110.6L103 L120 F132 D133 K138 C139 Y140L103-K136 HydrophobicContact CD2-CD 4.19Å; L120-K136 HydrophobicContact CD2-CB 4.46Å; L120-K136 HydrophobicContact CD2-CG 3.99Å; F132-K136 HydrophobicContact CE1-CD 3.97Å; F132-K136 HydrophobicContact CZ-CD 4.32Å; F132-K136 VanDerWaalsContact O-CB 3.29Å; F132-K136 WeakPolarHBondContact O-CB 3.44Å; F132-K136 PolarHBondContact O-N 3.47Å; D133-K136 PolarHBondContact O-N 3.43Å; K136-K138 VanDerWaalsContact C-N 3.3Å; K136-K138 PolarHBondContact O-N 3.42Å; K136-C139 WeakPolarHBondContact O-CA 3.26Å; K136-C139 WeakPolarHBondContact O-CB 3.49Å; K136-C139 PolarHBondContact O-N 3.49Å; K136-Y140 HydrophobicContact CD-CE2 4.43Å; K136-Y140 HydrophobicContact CG-CD2 4.01Å; K136-Y140 HydrophobicContact CG-CE2 3.73Å; K136-Y140 VanDerWaalsContact O-CD2 3.29Å; K136-Y140 WeakPolarHBondContact O-CD2 3.22Å; K136-Y140 PolarHBondContact O-N 3.36Å; K136-Y140 VanDerWaalsContact O-N 3.11Å
137T86Confident76.2Confident77 Ų7782.2 Ų82.247%0.47248%0.477SS..Hα-helixtrans-53.6-45.5176.6-65.40000112D133 E134 C135 C139 Y140 E141D133-T137 PolarHBondContact O-N 3.14Å; D133-T137 PolarHBondContact O-OG1 3.33Å; D133-T137 VanDerWaalsContact O-OG1 3.08Å; E134-T137 PolarHBondContact O-N 3.37Å; C135-T137 PolarHBondContact O-N 3.35Å; T137-C139 VanDerWaalsContact C-N 3.32Å; T137-C139 PolarHBondContact O-N 3.12Å; T137-Y140 WeakPolarHBondContact O-CB 3.39Å; T137-Y140 PolarHBondContact O-N 3Å; T137-Y140 VanDerWaalsContact O-N 3.1Å; T137-E141 HydrophobicContact CG2-CG 4.49Å; T137-E141 WeakPolarHBondContact O-CG 3.48Å; T137-E141 PolarHBondContact O-N 3Å
138K84.5Confident77.4Confident104 Ų10478.4 Ų78.445%0.45246%0.459SS..Hα-helixtrans-60.1-40176.1-69.4171.9-173.7165.20112.2E134 C135 K136 Y140 E141 M142E134-K138 WeakPolarHBondContact O-CG 3.45Å; E134-K138 PolarHBondContact O-N 3.42Å; E134-K138 VanDerWaalsContact O-N 3.11Å; E134-K138 WeakPolarHBondContact OE1-CE 3.03Å; E134-K138 IonicContact OE1-NZ 3.94Å; E134-K138 PolarHBondContact OE1-NZ 3.09Å; C135-K138 WeakPolarHBondContact O-CB 3.15Å; C135-K138 PolarHBondContact O-N 3.15Å; K136-K138 VanDerWaalsContact C-N 3.3Å; K136-K138 PolarHBondContact O-N 3.42Å; K138-Y140 VanDerWaalsContact C-N 3.32Å; K138-Y140 PolarHBondContact O-N 3.26Å; K138-E141 PolarHBondContact O-N 2.97Å; K138-M142 VanDerWaalsContact O-CG 3.27Å; K138-M142 WeakPolarHBondContact O-CG 3.11Å; K138-M142 PolarHBondContact O-N 3.39Å
139C85.6Confident79Confident1 Ų178.4 Ų78.41%0.00744%0.438CS..Hα-helixtrans-59.6-42.1174.5-58.40000112.4F116 C119 L120 C123 C135 K136 T137 M142 A143F116-C139 HydrophobicContact CD2-CB 4.02Å; F116-C139 VanDerWaalsContact CD2-O 3.29Å; F116-C139 WeakPolarHBondContact CD2-O 3.2Å; F116-C139 HydrophobicContact CE2-CB 3.94Å; C119-C139 HydrophobicContact CB-CB 3.81Å; C119-C139 WeakPolarHBondContact CB-SG 3.43Å; C119-C139 WeakPolarHBondContact SG-CA 3.48Å; C119-C139 WeakPolarHBondContact SG-CB 3.44Å; C119-C139 CovalentContact SG-SG 2.03Å; C119-C139 PolarHBondContact SG-SG 3.33Å; L120-C139 HydrophobicContact CD2-CB 3.95Å; L120-C139 HydrophobicContact CG-CB 4.31Å; C123-C139 PolarHBondContact SG-SG 3.48Å; C135-C139 PolarHBondContact O-N 3.28Å; C135-C139 PolarHBondContact O-SG 2.95Å; C135-C139 VanDerWaalsContact O-SG 3.36Å; K136-C139 WeakPolarHBondContact O-CA 3.26Å; K136-C139 WeakPolarHBondContact O-CB 3.49Å; K136-C139 PolarHBondContact O-N 3.49Å; T137-C139 VanDerWaalsContact C-N 3.32Å; T137-C139 PolarHBondContact O-N 3.12Å; C139-M142 HydrophobicContact CB-CE 4.44Å; C139-M142 PolarHBondContact O-N 3.4Å; C139-A143 WeakPolarHBondContact O-CB 3.5Å; C139-A143 PolarHBondContact O-N 2.97Å; C139-A143 VanDerWaalsContact O-N 3.1Å
140Y84.9Confident80.7Confident62 Ų6276.7 Ų76.724%0.24342%0.419CS..Hα-helixtrans-64.6-45.8177.5-83.6-94.1000111.6I106 F116 K136 T137 K138 M142 A143 G144 R145I106-Y140 WeakPolarHBondContact CD1-OH 3.31Å; F116-Y140 HydrophobicContact CE2-CD1 4.35Å; F116-Y140 HydrophobicContact CE2-CD2 4.06Å; F116-Y140 HydrophobicContact CE2-CE2 4.26Å; F116-Y140 HydrophobicContact CE2-CG 4.09Å; F116-Y140 HydrophobicContact CZ-CD1 4.21Å; F116-Y140 HydrophobicContact CZ-CD2 4.2Å; F116-Y140 AromaticContact CZ-CE1 3.98Å; F116-Y140 HydrophobicContact CZ-CE1 3.98Å; F116-Y140 AromaticContact CZ-CE2 3.96Å; F116-Y140 HydrophobicContact CZ-CE2 3.96Å; F116-Y140 HydrophobicContact CZ-CG 4.31Å; F116-Y140 AromaticContact CZ-CZ 3.85Å; K136-Y140 HydrophobicContact CD-CE2 4.43Å; K136-Y140 HydrophobicContact CG-CD2 4.01Å; K136-Y140 HydrophobicContact CG-CE2 3.73Å; K136-Y140 VanDerWaalsContact O-CD2 3.29Å; K136-Y140 WeakPolarHBondContact O-CD2 3.22Å; K136-Y140 PolarHBondContact O-N 3.36Å; K136-Y140 VanDerWaalsContact O-N 3.11Å; T137-Y140 WeakPolarHBondContact O-CB 3.39Å; T137-Y140 PolarHBondContact O-N 3Å; T137-Y140 VanDerWaalsContact O-N 3.1Å; K138-Y140 VanDerWaalsContact C-N 3.32Å; K138-Y140 PolarHBondContact O-N 3.26Å; Y140-M142 VanDerWaalsContact C-N 3.32Å; Y140-M142 PolarHBondContact O-N 2.87Å; Y140-A143 CarbonylContact O-C 3.53Å; Y140-A143 PolarHBondContact O-N 2.96Å; Y140-G144 PolarHBondContact O-N 2.75Å; Y140-G144 VanDerWaalsContact O-N 3.09Å; Y140-R145 HydrophobicContact CD1-CB 3.61Å; Y140-R145 HydrophobicContact CE1-CB 4.39Å; Y140-R145 HydrophobicContact CG-CB 4.46Å; Y140-R145 PolarHBondContact O-N 3.06Å
141E82.1Confident82.1Confident137 Ų13777.9 Ų77.964%0.6441%0.407SS*.Hα-helixtrans-58.1-44176.2-69.4175.3166.300111.8T137 K138 A143 G144T137-E141 HydrophobicContact CG2-CG 4.49Å; T137-E141 WeakPolarHBondContact O-CG 3.48Å; T137-E141 PolarHBondContact O-N 3Å; K138-E141 PolarHBondContact O-N 2.97Å; E141-A143 VanDerWaalsContact C-N 3.27Å; E141-A143 PolarHBondContact O-N 3.38Å; E141-G144 PolarHBondContact O-N 3.03Å; E141-G144 VanDerWaalsContact O-N 3.1Å
142M77.2Confident82.1Confident92 Ų9276.6 Ų76.645%0.45340%0.399SS..Hα-helixtrans-63.9-31.5176.4-70.9-174.4-61.600113.2T20 C119 K138 C139 Y140 G144T20-M142 HydrophobicContact CG2-CG 4.42Å; T20-M142 HydrophobicContact CG2-SD 3.22Å; T20-M142 WeakPolarHBondContact CG2-SD 3.36Å; C119-M142 HydrophobicContact CB-CE 4.11Å; C119-M142 WeakPolarHBondContact SG-CE 3.2Å; K138-M142 VanDerWaalsContact O-CG 3.27Å; K138-M142 WeakPolarHBondContact O-CG 3.11Å; K138-M142 PolarHBondContact O-N 3.39Å; C139-M142 HydrophobicContact CB-CE 4.44Å; C139-M142 PolarHBondContact O-N 3.4Å; Y140-M142 VanDerWaalsContact C-N 3.32Å; Y140-M142 PolarHBondContact O-N 2.87Å; M142-G144 VanDerWaalsContact C-N 3.3Å
143A76.7Confident81.8Confident39 Ų3980.5 Ų80.532%0.32242%0.421SS..THydrogen-bonded Turntrans-84-3.8176.800000113.4F116 C139 Y140 E141 R145F116-A143 HydrophobicContact CB-CB 4.04Å; F116-A143 HydrophobicContact CD2-CB 3.55Å; F116-A143 HydrophobicContact CE2-CB 4.18Å; F116-A143 HydrophobicContact CG-CB 3.91Å; C139-A143 WeakPolarHBondContact O-CB 3.5Å; C139-A143 PolarHBondContact O-N 2.97Å; C139-A143 VanDerWaalsContact O-N 3.1Å; Y140-A143 CarbonylContact O-C 3.53Å; Y140-A143 PolarHBondContact O-N 2.96Å; E141-A143 VanDerWaalsContact C-N 3.27Å; E141-A143 PolarHBondContact O-N 3.38Å; A143-R145 VanDerWaalsContact C-N 3.32Å; A143-R145 HydrophobicContact CB-CB 4.46Å; A143-R145 HydrophobicContact CB-CG 3.91Å
144G75.6Confident81.4Confident73 Ų7379.2 Ų79.275%0.75341%0.413SS*.THydrogen-bonded Turntrans64.435.2-172.800000113Y140 E141 M142Y140-G144 PolarHBondContact O-N 2.75Å; Y140-G144 VanDerWaalsContact O-N 3.09Å; E141-G144 PolarHBondContact O-N 3.03Å; E141-G144 VanDerWaalsContact O-N 3.1Å; M142-G144 VanDerWaalsContact C-N 3.3Å
145R63.8Low80.9Confident178 Ų17877.1 Ų77.167%0.67241%0.408SS*.  trans-112.80-176.6-66.2-176.8-179.5-165.31.4112.6F116 Y140 A143F116-R145 VanDerWaalsContact CE1-NH1 3.25Å; Y140-R145 HydrophobicContact CD1-CB 3.61Å; Y140-R145 HydrophobicContact CE1-CB 4.39Å; Y140-R145 HydrophobicContact CG-CB 4.46Å; Y140-R145 PolarHBondContact O-N 3.06Å; A143-R145 VanDerWaalsContact C-N 3.32Å; A143-R145 HydrophobicContact CB-CB 4.46Å; A143-R145 HydrophobicContact CB-CG 3.91Å

Retrieved 145 of 145 residues in 78.8 ms (Link to these results)