A0A087XQL0_POEFO Loading...

GTPase activating protein (SH3 domain) binding protein 1

AlphaFold DB , UniProt , Accession A0A087XQL0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 492 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
1S41.8Very low64.3Low173 Ų173136 Ų136100%1.2173%0.726SS**  0114.20-169.20000107.7K3S1-K3 PolarHBondContact O-N 3.36Å
2T43.3Very low66.9Low138 Ų138126.5 Ų126.585%0.84768%0.681SS**  trans-72.3111.3174.538.50000108.4E4T2-E4 PolarHBondContact O-N 3.38Å
3K46.9Very low69.2Low196 Ų196121.1 Ų121.185%0.85265%0.649SS**  trans-70.296.5177.1-164.9179.1-173.6-176.50107.7S1 M5S1-K3 PolarHBondContact O-N 3.36Å; K3-M5 PolarHBondContact O-N 3.29Å
4E51.8Low71.1Confident172 Ų172119.1 Ų119.180%0.80464%0.637SS**  trans-57.1112.1178.2-167.8166.9-142.900108.2T2 V6T2-E4 PolarHBondContact O-N 3.38Å; E4-V6 VanDerWaalsContact C-N 3.26Å; E4-V6 PolarHBondContact O-N 2.92Å
5M54.4Low72.8Confident173 Ų173112.3 Ų112.385%0.85260%0.601SS**  trans-74.386.9179.5-78.1-175.5168.200108.1K3 M7K3-M5 PolarHBondContact O-N 3.29Å; M5-M7 PolarHBondContact O-N 2.94Å
6V60.1Low74.3Confident127 Ų127105.3 Ų105.377%0.7756%0.564SS**  trans-64.387169.4-176.60000107.5E4 E8E4-V6 VanDerWaalsContact C-N 3.26Å; E4-V6 PolarHBondContact O-N 2.92Å; V6-E8 PolarHBondContact O-N 3.07Å; V6-E8 VanDerWaalsContact O-N 3.08Å
7M63.1Low75.6Confident110 Ų110107.8 Ų107.854%0.54256%0.564SS.*  trans-55.4112.8172.5-77-76.8-76.600108.3M5 K9 F261M5-M7 PolarHBondContact O-N 2.94Å; M7-K9 PolarHBondContact O-N 2.74Å; M7-F261 HydrophobicContact CE-CD1 4.3Å; M7-F261 HydrophobicContact CE-CE1 3.76Å; M7-F261 HydrophobicContact SD-CE1 3.73Å; M7-F261 HydrophobicContact SD-CZ 4.13Å
8E78.1Confident76.8Confident182 Ų182105.7 Ų105.785%0.8555%0.55SS**PPolyproline II helixtrans-56.5133-179.3-171.3171.8-174.100109.8V6 P10V6-E8 PolarHBondContact O-N 3.07Å; V6-E8 VanDerWaalsContact O-N 3.08Å; E8-P10 WeakPolarHBondContact O-CD 3.16Å; E8-P10 VanDerWaalsContact O-N 3.14Å
9K82.9Confident77.9Confident110 Ų110101.2 Ų101.248%0.47853%0.526SS..PPolyproline II helixtrans-65.5116.6-173.3-174.5169.7-177.4162.10108.9M7 E92M7-K9 PolarHBondContact O-N 2.74Å; K9-E92 IonicContact NZ-OE1 2.68Å; K9-E92 PolarHBondContact NZ-OE1 2.73Å; K9-E92 IonicContact NZ-OE2 3.06Å; K9-E92 PolarHBondContact NZ-OE2 2.94Å
10P90Very high78.9Confident43 Ų4396.5 Ų96.528%0.27950%0.502SS..PPolyproline II helixtrans-63.7144-17426-34.8000110.9E8 L14 V15E8-P10 WeakPolarHBondContact O-CD 3.16Å; E8-P10 VanDerWaalsContact O-N 3.14Å; P10-L14 HydrophobicContact CB-CD2 4.05Å; P10-V15 HydrophobicContact CB-CG2 3.86Å; P10-V15 HydrophobicContact CG-CG2 3.65Å
11S94.6Very high79.8Confident72 Ų7298 Ų9850%0.50350%0.501SS..PPolyproline II helixtrans-64.9149.6178.372.20000111.2Q13 L14 V15S11-Q13 PolarHBondContact O-N 2.95Å; S11-Q13 VanDerWaalsContact O-N 3.16Å; S11-L14 WeakPolarHBondContact O-CA 3.47Å; S11-L14 WeakPolarHBondContact O-CB 3.46Å; S11-L14 PolarHBondContact O-N 2.88Å; S11-L14 WeakPolarHBondContact OG-CB 3.32Å; S11-L14 PolarHBondContact OG-N 3.48Å; S11-V15 WeakPolarHBondContact O-CG2 3.34Å; S11-V15 PolarHBondContact O-N 2.78Å
12A95.3Very high82.4Confident22 Ų2292.7 Ų92.718%0.18246%0.457CS..Hα-helixtrans-54.8-36.6179.200000112.6V15 G16 A86 A88 V94A12-V15 PolarHBondContact O-N 3.08Å; A12-G16 PolarHBondContact O-N 3.1Å; A12-A86 VanDerWaalsContact O-CB 3.3Å; A12-A86 WeakPolarHBondContact O-CB 3.43Å; A12-A88 HydrophobicContact CB-CB 4.2Å; A12-V94 HydrophobicContact CB-CG1 4.06Å; A12-V94 HydrophobicContact CB-CG2 3.96Å
13Q96.8Very high85Confident56 Ų5686.1 Ų86.126%0.26242%0.417SS..Hα-helixtrans-68-33.5176.3-171.364.1-4.900113S11 R17 V84 A86S11-Q13 PolarHBondContact O-N 2.95Å; S11-Q13 VanDerWaalsContact O-N 3.16Å; Q13-R17 WeakPolarHBondContact O-CB 3.48Å; Q13-R17 WeakPolarHBondContact O-CD 3.43Å; Q13-R17 VanDerWaalsContact O-CG 3.22Å; Q13-R17 WeakPolarHBondContact O-CG 3.46Å; Q13-R17 PolarHBondContact O-N 3.38Å; Q13-V84 PolarHBondContact NE2-O 2.74Å; Q13-A86 PolarHBondContact OE1-O 3.04Å
14L96Very high87.5Confident93 Ų9377.1 Ų77.149%0.48738%0.377SS..Hα-helixtrans-71.9-47.1172.8179.659.9000111.1P10 S11 G16 R17 E18P10-L14 HydrophobicContact CB-CD2 4.05Å; S11-L14 WeakPolarHBondContact O-CA 3.47Å; S11-L14 WeakPolarHBondContact O-CB 3.46Å; S11-L14 PolarHBondContact O-N 2.88Å; S11-L14 WeakPolarHBondContact OG-CB 3.32Å; S11-L14 PolarHBondContact OG-N 3.48Å; L14-G16 PolarHBondContact O-N 2.77Å; L14-R17 PolarHBondContact O-N 3.37Å; L14-E18 HydrophobicContact CD1-CG 4.43Å; L14-E18 PolarHBondContact O-N 3.11Å
15V96.1Very high89.6Confident17 Ų1771.5 Ų71.510%0.10336%0.355CS..Hα-helixtrans-57.2-48.1177.2175.50000111P10 S11 A12 F19 V94 L118 F128P10-V15 HydrophobicContact CB-CG2 3.86Å; P10-V15 HydrophobicContact CG-CG2 3.65Å; S11-V15 WeakPolarHBondContact O-CG2 3.34Å; S11-V15 PolarHBondContact O-N 2.78Å; A12-V15 PolarHBondContact O-N 3.08Å; V15-F19 VanDerWaalsContact O-CB 3.23Å; V15-F19 WeakPolarHBondContact O-CB 3.36Å; V15-F19 PolarHBondContact O-N 3.16Å; V15-V94 HydrophobicContact CG1-CG2 4.37Å; V15-L118 HydrophobicContact CG1-CD1 4.04Å; V15-F128 HydrophobicContact CG1-CD2 3.96Å; V15-F128 HydrophobicContact CG1-CE2 3.94Å; V15-F128 HydrophobicContact CG1-CG 4.39Å; V15-F128 HydrophobicContact CG1-CZ 4.34Å; V15-F128 HydrophobicContact CG2-CE2 4.18Å
16G97.2Very high91.6Very high0 Ų065.1 Ų65.10%032%0.324CS..Hα-helixtrans-64.5-41.8-18000000113.4A12 L14 V20A12-G16 PolarHBondContact O-N 3.1Å; L14-G16 PolarHBondContact O-N 2.77Å; G16-V20 VanDerWaalsContact O-CB 3.31Å; G16-V20 WeakPolarHBondContact O-CB 3.34Å; G16-V20 VanDerWaalsContact O-CG2 3.27Å; G16-V20 WeakPolarHBondContact O-CG2 3.09Å; G16-V20 PolarHBondContact O-N 3.28Å
17R97.3Very high93.3Very high149 Ų14959.1 Ų59.156%0.56229%0.288SS*.Hα-helixtrans-66.2-44.7177.2-76.3175.5174.4-158.8-5.9112.6Q13 L14 V20 R21 V84Q13-R17 WeakPolarHBondContact O-CB 3.48Å; Q13-R17 WeakPolarHBondContact O-CD 3.43Å; Q13-R17 VanDerWaalsContact O-CG 3.22Å; Q13-R17 WeakPolarHBondContact O-CG 3.46Å; Q13-R17 PolarHBondContact O-N 3.38Å; L14-R17 PolarHBondContact O-N 3.37Å; R17-V20 PolarHBondContact O-N 3.46Å; R17-R21 WeakPolarHBondContact O-CB 3.43Å; R17-R21 PolarHBondContact O-N 2.79Å; R17-V84 HydrophobicContact CG-CB 4.34Å; R17-V84 HydrophobicContact CG-CG1 4.14Å
18E96.8Very high94.8Very high69 Ų6956.9 Ų56.932%0.32228%0.278SS..Hα-helixtrans-67.9-41.5177.5-90.8-61.3115.600112.3L14 V20 R21 Q22L14-E18 HydrophobicContact CD1-CG 4.43Å; L14-E18 PolarHBondContact O-N 3.11Å; E18-V20 PolarHBondContact O-N 2.89Å; E18-R21 PolarHBondContact O-N 3.42Å; E18-R21 IonicContact OE1-CZ 3.44Å; E18-R21 IonicContact OE1-NE 3.37Å; E18-R21 PolarHBondContact OE1-NE 2.69Å; E18-R21 IonicContact OE1-NH2 2.69Å; E18-R21 IonicContact OE2-CZ 2.77Å; E18-R21 IonicContact OE2-NE 3.57Å; E18-R21 PolarHBondContact OE2-NE 3.37Å; E18-R21 IonicContact OE2-NH2 3.6Å; E18-R21 PolarHBondContact OE2-NH2 2.77Å; E18-Q22 WeakPolarHBondContact O-CB 3.23Å; E18-Q22 VanDerWaalsContact O-CG 3.24Å; E18-Q22 WeakPolarHBondContact O-CG 3.21Å; E18-Q22 PolarHBondContact O-N 3.06Å; E18-Q22 PolarHBondContact OE2-NE2 3.46Å
19F97.8Very high95.6Very high20 Ų2055.2 Ų55.29%0.08827%0.27CS..Hα-helixtrans-56.8-50.1171.7166.9-100.4000111.3V15 R21 Q22 Y23 F37 F116 L118 V130V15-F19 VanDerWaalsContact O-CB 3.23Å; V15-F19 WeakPolarHBondContact O-CB 3.36Å; V15-F19 PolarHBondContact O-N 3.16Å; F19-R21 PolarHBondContact O-N 3.11Å; F19-Q22 PolarHBondContact O-N 3.45Å; F19-Y23 HydrophobicContact CE2-CD2 4.1Å; F19-Y23 AromaticContact CZ-CD2 3.72Å; F19-Y23 HydrophobicContact CZ-CD2 3.72Å; F19-Y23 HydrophobicContact CZ-CE2 4.5Å; F19-Y23 AromaticContact CZ-CG 3.99Å; F19-Y23 HydrophobicContact CZ-CG 3.99Å; F19-Y23 VanDerWaalsContact O-CB 3.27Å; F19-Y23 WeakPolarHBondContact O-CB 3.44Å; F19-Y23 PolarHBondContact O-N 2.8Å; F19-F37 HydrophobicContact CE2-CD1 4.15Å; F19-F37 HydrophobicContact CE2-CE1 4.49Å; F19-F37 HydrophobicContact CE2-CG 4.38Å; F19-F116 HydrophobicContact CE1-CB 4.18Å; F19-F116 AromaticContact CE1-CD1 3.64Å; F19-F116 HydrophobicContact CE1-CD1 3.64Å; F19-F116 AromaticContact CE1-CD2 3.7Å; F19-F116 HydrophobicContact CE1-CD2 3.7Å; F19-F116 AromaticContact CE1-CE1 3.76Å; F19-F116 HydrophobicContact CE1-CE1 3.76Å; F19-F116 AromaticContact CE1-CE2 3.81Å; F19-F116 HydrophobicContact CE1-CE2 3.81Å; F19-F116 AromaticContact CE1-CG 3.58Å; F19-F116 HydrophobicContact CE1-CG 3.58Å; F19-F116 AromaticContact CE1-CZ 3.81Å; F19-F116 HydrophobicContact CE1-CZ 3.81Å; F19-F116 AromaticContact CZ-CD1 3.74Å; F19-F116 HydrophobicContact CZ-CD1 3.74Å; F19-F116 AromaticContact CZ-CE1 3.71Å; F19-F116 HydrophobicContact CZ-CE1 3.71Å; F19-F116 HydrophobicContact CZ-CG 4.17Å; F19-F116 HydrophobicContact CZ-CZ 4.11Å; F19-L118 HydrophobicContact CB-CD1 3.87Å; F19-L118 HydrophobicContact CD1-CD1 4.01Å; F19-L118 HydrophobicContact CD1-CD2 3.94Å; F19-L118 HydrophobicContact CD1-CG 4.47Å; F19-L118 HydrophobicContact CD2-CD1 4.42Å; F19-L118 HydrophobicContact CD2-CD2 3.93Å; F19-L118 HydrophobicContact CE1-CD2 3.98Å; F19-L118 HydrophobicContact CE2-CD2 3.96Å; F19-L118 HydrophobicContact CG-CD1 3.79Å; F19-L118 HydrophobicContact CG-CD2 3.92Å; F19-L118 HydrophobicContact CG-CG 4.49Å; F19-L118 HydrophobicContact CZ-CD2 4Å; F19-V130 HydrophobicContact CD2-CG2 4.48Å; F19-V130 HydrophobicContact CE1-CG2 4.49Å; F19-V130 HydrophobicContact CE2-CG2 3.4Å; F19-V130 HydrophobicContact CZ-CG2 3.41Å; F19-V130 VanDerWaalsContact CZ-CG2 3.41Å
20V98.2Very high96.1Very high7 Ų751.3 Ų51.34%0.04226%0.258CS..Hα-helixtrans-58.3-47.1178.5157.20000111.7G16 R17 E18 Q22 Y23 Y24 I81 V84 V96 V98G16-V20 VanDerWaalsContact O-CB 3.31Å; G16-V20 WeakPolarHBondContact O-CB 3.34Å; G16-V20 VanDerWaalsContact O-CG2 3.27Å; G16-V20 WeakPolarHBondContact O-CG2 3.09Å; G16-V20 PolarHBondContact O-N 3.28Å; R17-V20 PolarHBondContact O-N 3.46Å; E18-V20 PolarHBondContact O-N 2.89Å; V20-Q22 VanDerWaalsContact C-N 3.34Å; V20-Q22 PolarHBondContact O-N 3.09Å; V20-Y23 PolarHBondContact O-N 3.08Å; V20-Y24 HydrophobicContact CG1-CD2 3.9Å; V20-Y24 HydrophobicContact CG1-CE2 3.77Å; V20-Y24 WeakPolarHBondContact O-CD2 3.3Å; V20-Y24 PolarHBondContact O-N 2.87Å; V20-I81 HydrophobicContact CG1-CG1 4.43Å; V20-I81 HydrophobicContact CG1-CG2 4.4Å; V20-V84 HydrophobicContact CB-CG1 4.48Å; V20-V84 HydrophobicContact CB-CG2 4.36Å; V20-V84 HydrophobicContact CG1-CG2 3.79Å; V20-V84 HydrophobicContact CG2-CG1 4.02Å; V20-V84 HydrophobicContact CG2-CG2 4.36Å; V20-V96 HydrophobicContact CG2-CG1 3.87Å; V20-V98 HydrophobicContact CG2-CG2 3.5Å
21R97.5Very high96.4Very high128 Ų12850 Ų5048%0.48325%0.25SC..Hα-helixtrans-57.4-48.1176.6-171.3-170.263.771.60.5110.8R17 E18 F19 T25R17-R21 WeakPolarHBondContact O-CB 3.43Å; R17-R21 PolarHBondContact O-N 2.79Å; E18-R21 PolarHBondContact O-N 3.42Å; E18-R21 IonicContact OE1-CZ 3.44Å; E18-R21 IonicContact OE1-NE 3.37Å; E18-R21 PolarHBondContact OE1-NE 2.69Å; E18-R21 IonicContact OE1-NH2 2.69Å; E18-R21 IonicContact OE2-CZ 2.77Å; E18-R21 IonicContact OE2-NE 3.57Å; E18-R21 PolarHBondContact OE2-NE 3.37Å; E18-R21 IonicContact OE2-NH2 3.6Å; E18-R21 PolarHBondContact OE2-NH2 2.77Å; F19-R21 PolarHBondContact O-N 3.11Å; R21-T25 VanDerWaalsContact O-CB 3.26Å; R21-T25 WeakPolarHBondContact O-CB 3.45Å; R21-T25 PolarHBondContact O-N 2.99Å; R21-T25 PolarHBondContact O-OG1 3.36Å
22Q96.6Very high96.4Very high62 Ų6250.7 Ų50.729%0.2925%0.248SC..Hα-helixtrans-67.8-40.3-179-67.6172.233.900112.4E18 F19 V20 L26 F37E18-Q22 WeakPolarHBondContact O-CB 3.23Å; E18-Q22 VanDerWaalsContact O-CG 3.24Å; E18-Q22 WeakPolarHBondContact O-CG 3.21Å; E18-Q22 PolarHBondContact O-N 3.06Å; E18-Q22 PolarHBondContact OE2-NE2 3.46Å; F19-Q22 PolarHBondContact O-N 3.45Å; V20-Q22 VanDerWaalsContact C-N 3.34Å; V20-Q22 PolarHBondContact O-N 3.09Å; Q22-L26 WeakPolarHBondContact O-CB 3.27Å; Q22-L26 PolarHBondContact O-N 3.38Å; Q22-F37 HydrophobicContact CB-CZ 4.2Å
23Y98.2Very high96.4Very high0 Ų053 Ų530%025%0.252CS..Hα-helixtrans-60.4-56.6-177.9-176.3-96000112.2F19 V20 L26 L27 L34 F37 Y38 F116 D133F19-Y23 HydrophobicContact CE2-CD2 4.1Å; F19-Y23 AromaticContact CZ-CD2 3.72Å; F19-Y23 HydrophobicContact CZ-CD2 3.72Å; F19-Y23 HydrophobicContact CZ-CE2 4.5Å; F19-Y23 AromaticContact CZ-CG 3.99Å; F19-Y23 HydrophobicContact CZ-CG 3.99Å; F19-Y23 VanDerWaalsContact O-CB 3.27Å; F19-Y23 WeakPolarHBondContact O-CB 3.44Å; F19-Y23 PolarHBondContact O-N 2.8Å; V20-Y23 PolarHBondContact O-N 3.08Å; Y23-L26 PolarHBondContact O-N 2.95Å; Y23-L27 WeakPolarHBondContact O-CB 3.36Å; Y23-L27 PolarHBondContact O-N 3.05Å; Y23-L34 HydrophobicContact CD2-CD1 3.9Å; Y23-L34 HydrophobicContact CE2-CD1 3.69Å; Y23-L34 HydrophobicContact CE2-CD2 4.08Å; Y23-L34 HydrophobicContact CE2-CG 3.89Å; Y23-L34 HydrophobicContact CG-CD1 4.45Å; Y23-F37 AromaticContact CD2-CD2 3.87Å; Y23-F37 HydrophobicContact CD2-CD2 3.87Å; Y23-F37 HydrophobicContact CD2-CE2 4.1Å; Y23-F37 HydrophobicContact CE2-CD2 4.41Å; Y23-Y38 HydrophobicContact CE2-CE2 4.44Å; Y23-Y38 WeakPolarHBondContact CE2-OH 3.39Å; Y23-Y38 PolarHBondContact OH-OH 3.36Å; Y23-Y38 VanDerWaalsContact OH-OH 3.05Å; Y23-F116 HydrophobicContact CD1-CE1 4.37Å; Y23-F116 AromaticContact CD1-CZ 3.79Å; Y23-F116 HydrophobicContact CD1-CZ 3.79Å; Y23-F116 HydrophobicContact CD2-CE1 4.3Å; Y23-F116 HydrophobicContact CD2-CZ 4.46Å; Y23-F116 HydrophobicContact CE1-CE1 4.13Å; Y23-F116 AromaticContact CE1-CZ 3.75Å; Y23-F116 HydrophobicContact CE1-CZ 3.75Å; Y23-F116 HydrophobicContact CE2-CE1 4.06Å; Y23-F116 HydrophobicContact CE2-CZ 4.42Å; Y23-F116 HydrophobicContact CG-CE1 4.46Å; Y23-F116 HydrophobicContact CG-CZ 4.16Å; Y23-F116 AromaticContact CZ-CE1 3.98Å; Y23-D133 PolarHBondContact OH-OD2 3.31Å
24Y97.6Very high96.4Very high7 Ų750.3 Ų50.33%0.02724%0.24CC..Hα-helixtrans-73.9-29-179.1-58.9-69.1000113V20 L26 L27 N28 T79 I81 V98 F112 Q114V20-Y24 HydrophobicContact CG1-CD2 3.9Å; V20-Y24 HydrophobicContact CG1-CE2 3.77Å; V20-Y24 WeakPolarHBondContact O-CD2 3.3Å; V20-Y24 PolarHBondContact O-N 2.87Å; Y24-L26 VanDerWaalsContact C-N 3.3Å; Y24-L26 PolarHBondContact O-N 3.28Å; Y24-L27 HydrophobicContact CD1-CD2 3.95Å; Y24-L27 PolarHBondContact O-N 3.41Å; Y24-N28 PolarHBondContact O-N 3.41Å; Y24-N28 VanDerWaalsContact O-N 3.08Å; Y24-T79 HydrophobicContact CD1-CG2 3.73Å; Y24-T79 HydrophobicContact CE1-CG2 4.43Å; Y24-T79 HydrophobicContact CG-CG2 4.14Å; Y24-I81 HydrophobicContact CD2-CD1 3.6Å; Y24-I81 HydrophobicContact CD2-CG1 4.07Å; Y24-I81 HydrophobicContact CE1-CD1 4.48Å; Y24-I81 HydrophobicContact CE2-CD1 3.4Å; Y24-I81 VanDerWaalsContact CE2-CD1 3.4Å; Y24-I81 HydrophobicContact CE2-CG1 4.17Å; Y24-I81 HydrophobicContact CG-CD1 4.23Å; Y24-V98 HydrophobicContact CE2-CG1 4.1Å; Y24-V98 WeakPolarHBondContact OH-CG1 3.42Å; Y24-F112 HydrophobicContact CE1-CZ 4.17Å; Y24-F112 AromaticContact CZ-CZ 3.9Å; Y24-F112 WeakPolarHBondContact OH-CE2 3.37Å; Y24-F112 WeakPolarHBondContact OH-CZ 3.32Å; Y24-Q114 PolarHBondContact OH-OE1 3.24Å
25T96.4Very high96.4Very high55 Ų5547.8 Ų47.834%0.33723%0.225SC..Hα-helixtrans-58.3-45.7169.8-57.80000110.5R21 N28 Q29R21-T25 VanDerWaalsContact O-CB 3.26Å; R21-T25 WeakPolarHBondContact O-CB 3.45Å; R21-T25 PolarHBondContact O-N 2.99Å; R21-T25 PolarHBondContact O-OG1 3.36Å; T25-N28 PolarHBondContact O-N 3.46Å; T25-Q29 HydrophobicContact CG2-CG 4.49Å; T25-Q29 WeakPolarHBondContact O-CB 3.26Å; T25-Q29 WeakPolarHBondContact O-CG 3.35Å; T25-Q29 PolarHBondContact O-N 3.3Å
26L96.4Very high96.4Very high39 Ų3954 Ų5420%0.20425%0.247CC..Hα-helixtrans-72.3-34.7178.6-168.465.7000112.5Q22 Y23 Y24 N28 Q29 A30 L34 F37Q22-L26 WeakPolarHBondContact O-CB 3.27Å; Q22-L26 PolarHBondContact O-N 3.38Å; Y23-L26 PolarHBondContact O-N 2.95Å; Y24-L26 VanDerWaalsContact C-N 3.3Å; Y24-L26 PolarHBondContact O-N 3.28Å; L26-N28 VanDerWaalsContact C-N 3.27Å; L26-N28 PolarHBondContact O-N 3.29Å; L26-Q29 PolarHBondContact O-N 2.84Å; L26-A30 HydrophobicContact CD1-CB 4.02Å; L26-A30 CarbonylContact O-C 3.52Å; L26-A30 PolarHBondContact O-N 3.07Å; L26-L34 HydrophobicContact CB-CD1 4.39Å; L26-F37 HydrophobicContact CB-CE2 4.27Å; L26-F37 HydrophobicContact CD2-CD2 4.29Å; L26-F37 HydrophobicContact CD2-CE2 3.6Å; L26-F37 HydrophobicContact CD2-CZ 4.23Å
27L95.9Very high96.4Very high1 Ų155.9 Ų55.91%0.00526%0.255CS..Hα-helixtrans-59-37.8174.5-173.969.1000112.2Y23 Y24 L34 F74 C77 L102Y23-L27 WeakPolarHBondContact O-CB 3.36Å; Y23-L27 PolarHBondContact O-N 3.05Å; Y24-L27 HydrophobicContact CD1-CD2 3.95Å; Y24-L27 PolarHBondContact O-N 3.41Å; L27-L34 HydrophobicContact CB-CD1 4.23Å; L27-L34 HydrophobicContact CD1-CD1 4.45Å; L27-L34 HydrophobicContact CD1-CD2 3.65Å; L27-F74 HydrophobicContact CD1-CD1 3.94Å; L27-F74 HydrophobicContact CD1-CD2 3.83Å; L27-F74 HydrophobicContact CD1-CE1 4.04Å; L27-F74 HydrophobicContact CD1-CE2 3.92Å; L27-F74 HydrophobicContact CD1-CG 3.83Å; L27-F74 HydrophobicContact CD1-CZ 4.02Å; L27-F74 HydrophobicContact CD2-CE1 4.49Å; L27-F74 HydrophobicContact CG-CD1 4.38Å; L27-C77 HydrophobicContact CG-CB 4.38Å; L27-L102 HydrophobicContact CD2-CD1 4.07Å
28N94.4Very high96.4Very high62 Ų6249 Ų4933%0.33223%0.23SC..Hα-helixtrans-77-47175-168.428.3000112.4Y24 T25 L26 C77Y24-N28 PolarHBondContact O-N 3.41Å; Y24-N28 VanDerWaalsContact O-N 3.08Å; T25-N28 PolarHBondContact O-N 3.46Å; L26-N28 VanDerWaalsContact C-N 3.27Å; L26-N28 PolarHBondContact O-N 3.29Å; N28-C77 WeakPolarHBondContact CB-O 3.4Å; N28-C77 PolarHBondContact OD1-N 2.93Å; N28-C77 PolarHBondContact OD1-O 3.2Å
29Q94.9Very high96.3Very high148 Ų14846.6 Ų46.669%0.69222%0.223SC*.Hα-helixtrans-83-36.3-169.7-69.4179.8-13.300115.1T25 L26T25-Q29 HydrophobicContact CG2-CG 4.49Å; T25-Q29 WeakPolarHBondContact O-CB 3.26Å; T25-Q29 WeakPolarHBondContact O-CG 3.35Å; T25-Q29 PolarHBondContact O-N 3.3Å; L26-Q29 PolarHBondContact O-N 2.84Å
30A95.1Very high96.1Very high27 Ų2754.4 Ų54.422%0.22326%0.257CS..  trans-160.569.9-175.300000111.4L26 D32 Y33L26-A30 HydrophobicContact CD1-CB 4.02Å; L26-A30 CarbonylContact O-C 3.52Å; L26-A30 PolarHBondContact O-N 3.07Å; A30-D32 PolarHBondContact O-N 3.48Å; A30-D32 VanDerWaalsContact O-N 3.11Å; A30-Y33 HydrophobicContact CB-CD2 3.86Å; A30-Y33 HydrophobicContact CB-CE2 4.44Å; A30-Y33 PolarHBondContact O-N 3.28Å
31P94.6Very high96Very high15 Ų1560 Ų6010%0.09729%0.287CS..G310 helixtrans-57.9-26.8-177.923-33.7000113.2Y33 L34 V69 F74P31-Y33 PolarHBondContact O-N 2.87Å; P31-Y33 VanDerWaalsContact O-N 3.13Å; P31-L34 WeakPolarHBondContact O-CB 3.45Å; P31-L34 PolarHBondContact O-N 2.61Å; P31-V69 HydrophobicContact CB-CG1 4.43Å; P31-F74 HydrophobicContact CB-CB 3.86Å; P31-F74 HydrophobicContact CB-CD2 4.4Å; P31-F74 HydrophobicContact CG-CB 3.94Å
32D94.9Very high96Very high87 Ų8754 Ų5447%0.46526%0.264SS..G310 helixtrans-47.1-38.1170.3-62.824.2000112.7A30 H35 M70A30-D32 PolarHBondContact O-N 3.48Å; A30-D32 VanDerWaalsContact O-N 3.11Å; D32-H35 PolarHBondContact O-CE1 3.17Å; D32-H35 VanDerWaalsContact O-CE1 3.24Å; D32-H35 PolarHBondContact O-ND1 2.97Å; D32-M70 VanDerWaalsContact CA-CE 3.48Å; D32-M70 HydrophobicContact CB-CE 4.36Å
33Y96Very high96Very high71 Ų7151.6 Ų51.628%0.27825%0.254SS..G310 helixtrans-92.6-3.4-178.6-60.4-44.2000114.4A30 P31 H35 R36A30-Y33 HydrophobicContact CB-CD2 3.86Å; A30-Y33 HydrophobicContact CB-CE2 4.44Å; A30-Y33 PolarHBondContact O-N 3.28Å; P31-Y33 PolarHBondContact O-N 2.87Å; P31-Y33 VanDerWaalsContact O-N 3.13Å; Y33-H35 PolarHBondContact O-N 3.19Å; Y33-H35 VanDerWaalsContact O-N 3.16Å; Y33-R36 VanDerWaalsContact CE1-NH2 3.35Å; Y33-R36 VanDerWaalsContact O-CB 3.27Å; Y33-R36 WeakPolarHBondContact O-CB 3.24Å; Y33-R36 WeakPolarHBondContact O-CG 3.44Å; Y33-R36 PolarHBondContact O-N 2.69Å
34L96.1Very high96Very high0 Ų051.7 Ų51.70%025%0.254CS..G310 helixtrans-57.8-31.7-179.6-161.878.1000112.4Y23 L26 L27 P31 R36 F37 Y38 V69Y23-L34 HydrophobicContact CD2-CD1 3.9Å; Y23-L34 HydrophobicContact CE2-CD1 3.69Å; Y23-L34 HydrophobicContact CE2-CD2 4.08Å; Y23-L34 HydrophobicContact CE2-CG 3.89Å; Y23-L34 HydrophobicContact CG-CD1 4.45Å; L26-L34 HydrophobicContact CB-CD1 4.39Å; L27-L34 HydrophobicContact CB-CD1 4.23Å; L27-L34 HydrophobicContact CD1-CD1 4.45Å; L27-L34 HydrophobicContact CD1-CD2 3.65Å; P31-L34 WeakPolarHBondContact O-CB 3.45Å; P31-L34 PolarHBondContact O-N 2.61Å; L34-R36 PolarHBondContact O-N 3.49Å; L34-F37 HydrophobicContact CD1-CD2 4.13Å; L34-F37 HydrophobicContact CD1-CE2 4.18Å; L34-F37 PolarHBondContact O-N 3.21Å; L34-F37 VanDerWaalsContact O-N 3.14Å; L34-Y38 WeakPolarHBondContact O-CD2 3.45Å; L34-Y38 WeakPolarHBondContact O-CE2 3.47Å; L34-V69 HydrophobicContact CB-CG1 4.38Å; L34-V69 HydrophobicContact CD2-CG1 4.02Å; L34-V69 HydrophobicContact CD2-CG2 4.11Å
35H96.1Very high95.9Very high39 Ų3952 Ų5218%0.18126%0.257CS..G310 helixtrans-56.6-20.8175.674.3-96.2000113.8D32 Y33 F37 Y38 Q62 H66D32-H35 PolarHBondContact O-CE1 3.17Å; D32-H35 VanDerWaalsContact O-CE1 3.24Å; D32-H35 PolarHBondContact O-ND1 2.97Å; Y33-H35 PolarHBondContact O-N 3.19Å; Y33-H35 VanDerWaalsContact O-N 3.16Å; H35-F37 PolarHBondContact O-N 2.95Å; H35-Y38 PolarHBondContact O-N 3.4Å; H35-Y38 VanDerWaalsContact O-N 3.14Å; H35-Q62 HydrophobicContact CB-CG 4.35Å; H35-Q62 WeakPolarHBondContact O-CG 3.21Å; H35-Q62 PolarHBondContact O-NE2 2.94Å; H35-H66 HydrophobicContact CB-CB 3.65Å; H35-H66 AromaticContact CE1-CD2 4Å; H35-H66 AromaticContact CG-CD2 3.76Å; H35-H66 AromaticContact ND1-CD2 3.23Å; H35-H66 PolarHBondContact ND1-CD2 2.92Å; H35-H66 AromaticContact ND1-CG 3.89Å; H35-H66 AromaticContact ND1-NE2 3.83Å
36R96.1Very high95.6Very high147 Ų14749.8 Ų49.856%0.55524%0.243SC*.G310 helixtrans-69.1-18.8179.5-64.6179176.2166.9-0.6113.7Y33 L34 Y38Y33-R36 VanDerWaalsContact CE1-NH2 3.35Å; Y33-R36 VanDerWaalsContact O-CB 3.27Å; Y33-R36 WeakPolarHBondContact O-CB 3.24Å; Y33-R36 WeakPolarHBondContact O-CG 3.44Å; Y33-R36 PolarHBondContact O-N 2.69Å; L34-R36 PolarHBondContact O-N 3.49Å; R36-Y38 PolarHBondContact O-N 3.17Å
37F96.9Very high95Very high41 Ų4148 Ų4818%0.1823%0.234CC..G310 helixtrans-72.7-14.5171.9-71.2-62.7000113.5F19 Q22 Y23 L26 L34 H35 Y129 V130F19-F37 HydrophobicContact CE2-CD1 4.15Å; F19-F37 HydrophobicContact CE2-CE1 4.49Å; F19-F37 HydrophobicContact CE2-CG 4.38Å; Q22-F37 HydrophobicContact CB-CZ 4.2Å; Y23-F37 AromaticContact CD2-CD2 3.87Å; Y23-F37 HydrophobicContact CD2-CD2 3.87Å; Y23-F37 HydrophobicContact CD2-CE2 4.1Å; Y23-F37 HydrophobicContact CE2-CD2 4.41Å; L26-F37 HydrophobicContact CB-CE2 4.27Å; L26-F37 HydrophobicContact CD2-CD2 4.29Å; L26-F37 HydrophobicContact CD2-CE2 3.6Å; L26-F37 HydrophobicContact CD2-CZ 4.23Å; L34-F37 HydrophobicContact CD1-CD2 4.13Å; L34-F37 HydrophobicContact CD1-CE2 4.18Å; L34-F37 PolarHBondContact O-N 3.21Å; L34-F37 VanDerWaalsContact O-N 3.14Å; H35-F37 PolarHBondContact O-N 2.95Å; F37-Y129 WeakPolarHBondContact O-CA 3.48Å; F37-V130 HydrophobicContact CB-CG2 4Å; F37-V130 PolarHBondContact O-N 2.71Å
38Y97.7Very high94.2Very high5 Ų549 Ų492%0.0224%0.244CC..EExtended strand (participates in β ladder)trans-107.7144.7-169.9-58.5-93.3000112.6Y23 L34 H35 R36 Y44 Q62 I65 V130 D133Y23-Y38 HydrophobicContact CE2-CE2 4.44Å; Y23-Y38 WeakPolarHBondContact CE2-OH 3.39Å; Y23-Y38 PolarHBondContact OH-OH 3.36Å; Y23-Y38 VanDerWaalsContact OH-OH 3.05Å; L34-Y38 WeakPolarHBondContact O-CD2 3.45Å; L34-Y38 WeakPolarHBondContact O-CE2 3.47Å; H35-Y38 PolarHBondContact O-N 3.4Å; H35-Y38 VanDerWaalsContact O-N 3.14Å; R36-Y38 PolarHBondContact O-N 3.17Å; Y38-Y44 AromaticContact CE1-CD2 3.95Å; Y38-Y44 HydrophobicContact CE1-CD2 3.95Å; Y38-Y44 AromaticContact CZ-CD2 3.84Å; Y38-Y44 WeakPolarHBondContact OH-CD2 3.5Å; Y38-Y44 WeakPolarHBondContact OH-CE2 3.22Å; Y38-Q62 PolarHBondContact O-NE2 3.16Å; Y38-Q62 VanDerWaalsContact O-NE2 3.09Å; Y38-I65 HydrophobicContact CD1-CD1 3.74Å; Y38-I65 HydrophobicContact CD1-CG2 4.16Å; Y38-I65 HydrophobicContact CD2-CG2 3.88Å; Y38-I65 HydrophobicContact CE1-CD1 4.5Å; Y38-I65 HydrophobicContact CE1-CG2 4.27Å; Y38-I65 HydrophobicContact CE2-CG2 4Å; Y38-I65 HydrophobicContact CG-CD1 3.93Å; Y38-I65 HydrophobicContact CG-CG2 3.94Å; Y38-V130 HydrophobicContact CD1-CB 3.87Å; Y38-V130 HydrophobicContact CD1-CG1 3.87Å; Y38-V130 HydrophobicContact CE1-CB 3.93Å; Y38-V130 HydrophobicContact CE1-CG1 3.55Å; Y38-D133 HydrophobicContact CE1-CB 3.97Å; Y38-D133 PolarHBondContact OH-OD2 3.43Å
39G94.9Very high93.4Very high17 Ų1750.1 Ų50.118%0.17525%0.249CC..EExtended strand (participates in β ladder)trans-94.2-17517600000113.8N41 S42 Q62G39-N41 VanDerWaalsContact C-N 3.3Å; G39-N41 PolarHBondContact O-N 2.61Å; G39-S42 PolarHBondContact N-OG 3.18Å; G39-Q62 PolarHBondContact O-N 2.79Å; G39-Q62 VanDerWaalsContact O-N 3.1Å
40K94.6Very high92.6Very high185 Ų18545.6 Ų45.680%0.80423%0.23SC*.EExtended strand (participates in β ladder)trans-67.6-28.1179-64.7179.6-178.8179.20113.6G61K40-G61 WeakPolarHBondContact O-CA 3.38Å
41N94.7Very high91.7Very high125 Ų12550.5 Ų50.567%0.66826%0.263SS*.EExtended strand (participates in β ladder)trans-111.419.4-175.2-59.411.9000112G39 H131G39-N41 VanDerWaalsContact C-N 3.3Å; G39-N41 PolarHBondContact O-N 2.61Å; N41-H131 PolarHBondContact O-CE1 2.9Å; N41-H131 VanDerWaalsContact O-CE1 3.27Å; N41-H131 PolarHBondContact O-ND1 3.36Å
42S97.9Very high90.9Very high0 Ų055.7 Ų55.70%029%0.29CS..EExtended strand (participates in β ladder)trans-80147.1-178.4-60.80000111.9G39 Y60 G61 V130 H131G39-S42 PolarHBondContact N-OG 3.18Å; S42-Y60 CarbonylContact O-C 3.57Å; S42-Y60 VanDerWaalsContact O-CA 3.32Å; S42-Y60 WeakPolarHBondContact O-CA 3.3Å; S42-G61 PolarHBondContact O-N 3.46Å; S42-V130 VanDerWaalsContact CB-O 3.24Å; S42-V130 WeakPolarHBondContact CB-O 3.46Å; S42-V130 PolarHBondContact OG-O 3.24Å; S42-H131 CarbonylContact C-O 3.5Å; S42-H131 WeakPolarHBondContact CA-O 3.25Å
43S97.6Very high90Very high13 Ų1353.9 Ų53.99%0.09129%0.291CS..EExtended strand (participates in β ladder)trans-108.6138.4171.467.80000111.1V59 H131 N132 D133S43-V59 WeakPolarHBondContact CA-O 3.31Å; S43-H131 PolarHBondContact N-O 2.7Å; S43-N132 PolarHBondContact OG-ND2 3.15Å; S43-D133 PolarHBondContact O-N 3.45Å
44Y97.6Very high89.2Confident2 Ų257 Ų571%0.00831%0.307CS..EExtended strand (participates in β ladder)trans-131.8127.5178.8177.9-99.8000111.3Y38 H46 A58 V59 I65 R68 V69 L72 D133Y38-Y44 AromaticContact CE1-CD2 3.95Å; Y38-Y44 HydrophobicContact CE1-CD2 3.95Å; Y38-Y44 AromaticContact CZ-CD2 3.84Å; Y38-Y44 WeakPolarHBondContact OH-CD2 3.5Å; Y38-Y44 WeakPolarHBondContact OH-CE2 3.22Å; Y44-H46 HydrophobicContact CD1-CB 4.48Å; Y44-H46 HydrophobicContact CE1-CB 3.64Å; Y44-H46 HydrophobicContact CE2-CB 4.16Å; Y44-H46 VanDerWaalsContact CZ-CB 3.45Å; Y44-H46 VanDerWaalsContact OH-CB 3.31Å; Y44-H46 WeakPolarHBondContact OH-CB 3.42Å; Y44-A58 WeakPolarHBondContact O-CA 3.39Å; Y44-V59 HydrophobicContact CD1-CG2 3.95Å; Y44-V59 HydrophobicContact CG-CG2 4.46Å; Y44-V59 PolarHBondContact N-O 2.69Å; Y44-V59 PolarHBondContact O-N 2.9Å; Y44-I65 HydrophobicContact CD1-CG2 4.42Å; Y44-I65 HydrophobicContact CD2-CG2 4.25Å; Y44-I65 HydrophobicContact CG-CG2 4.02Å; Y44-R68 HydrophobicContact CD1-CB 4.41Å; Y44-R68 HydrophobicContact CD1-CG 3.95Å; Y44-R68 HydrophobicContact CE1-CB 4.38Å; Y44-R68 HydrophobicContact CE1-CG 3.79Å; Y44-V69 HydrophobicContact CE1-CG2 4.19Å; Y44-V69 HydrophobicContact CE2-CG2 4.38Å; Y44-L72 HydrophobicContact CE1-CD1 4.22Å; Y44-D133 WeakPolarHBondContact CA-O 3.42Å; Y44-D133 HydrophobicContact CD2-CB 3.97Å; Y44-D133 WeakPolarHBondContact CD2-OD2 3.49Å; Y44-D133 VanDerWaalsContact CE2-OD2 3.31Å; Y44-D133 WeakPolarHBondContact CE2-OD2 3.3Å
45V94.8Very high88.3Confident14 Ų1460.6 Ų60.69%0.08533%0.33CS..EExtended strand (participates in β ladder)trans-127.6130.3169.3174.70000107.5A58 D133 V134 F135V45-A58 HydrophobicContact CG2-CB 3.48Å; V45-A58 VanDerWaalsContact CG2-CB 3.48Å; V45-D133 PolarHBondContact N-O 3.14Å; V45-V134 HydrophobicContact CB-CG1 4.44Å; V45-F135 PolarHBondContact O-N 3.49Å
46H91.5Very high87.7Confident8 Ų860.9 Ų60.94%0.03733%0.332CS..EExtended strand (participates in β ladder)trans-142.586.1177.8-167.995.9000111.3Y44 L72 F74 F135Y44-H46 HydrophobicContact CD1-CB 4.48Å; Y44-H46 HydrophobicContact CE1-CB 3.64Å; Y44-H46 HydrophobicContact CE2-CB 4.16Å; Y44-H46 VanDerWaalsContact CZ-CB 3.45Å; Y44-H46 VanDerWaalsContact OH-CB 3.31Å; Y44-H46 WeakPolarHBondContact OH-CB 3.42Å; H46-L72 HydrophobicContact CB-CD1 3.99Å; H46-F74 AromaticContact CD2-CZ 3.9Å; H46-F74 AromaticContact CE1-CZ 3.95Å; H46-F74 AromaticContact NE2-CE1 3.82Å; H46-F74 AromaticContact NE2-CZ 3.53Å; H46-F135 HydrophobicContact CB-CB 4.38Å; H46-F135 AromaticContact CD2-CD1 3.99Å; H46-F135 AromaticContact CE1-CD1 3.51Å; H46-F135 AromaticContact CE1-CD2 3.5Å; H46-F135 VanDerWaalsContact CE1-CD2 3.5Å; H46-F135 WeakPolarHBondContact CE1-CD2 3.33Å; H46-F135 AromaticContact CE1-CE1 3.68Å; H46-F135 AromaticContact CE1-CE2 3.64Å; H46-F135 AromaticContact CE1-CG 3.44Å; H46-F135 VanDerWaalsContact CE1-CG 3.44Å; H46-F135 WeakPolarHBondContact CE1-CG 3.5Å; H46-F135 AromaticContact CE1-CZ 3.74Å; H46-F135 AromaticContact CG-CD1 3.85Å; H46-F135 WeakPolarHBondContact ND1-CB 3.29Å; H46-F135 AromaticContact ND1-CD1 3.56Å; H46-F135 AromaticContact ND1-CD2 3.73Å; H46-F135 AromaticContact ND1-CG 3.32Å; H46-F135 VanDerWaalsContact ND1-CG 3.32Å; H46-F135 WeakPolarHBondContact ND1-CG 3.08Å; H46-F135 AromaticContact NE2-CD1 3.79Å; H46-F135 AromaticContact NE2-CE1 3.7Å; H46-F135 AromaticContact NE2-CZ 3.96Å
47G83.5Confident87.4Confident1 Ų162.3 Ų62.31%0.0135%0.345CS..  trans54.9-161.7175.800000115F135 R136 E140G47-F135 PolarHBondContact N-O 3.37Å; G47-R136 PolarHBondContact O-NH1 2.93Å; G47-E140 WeakPolarHBondContact CA-OE2 3.26Å
48G78.3Confident87.2Confident21 Ų2161.6 Ų61.622%0.21635%0.347CS..  trans75149173.100000115L56 E140G48-L56 WeakPolarHBondContact O-CG 3.37Å; G48-L56 PolarHBondContact O-N 3.23Å; G48-E140 VanDerWaalsContact N-CD 3.26Å; G48-E140 PolarHBondContact N-OE1 3.44Å; G48-E140 PolarHBondContact N-OE2 3.42Å
49L78.3Confident87.1Confident86 Ų8662.6 Ų62.645%0.4535%0.354SS..BIsolated β-bridgetrans-104.7152.1173.7-54-179.8000110.3K54 P55L49-K54 CarbonylContact C-O 3.48Å; L49-K54 VanDerWaalsContact CA-O 3.27Å; L49-K54 WeakPolarHBondContact CA-O 3.45Å; L49-P55 HydrophobicContact CD2-CG 4.37Å
50D77Confident87.2Confident53 Ų5369.6 Ų69.628%0.28338%0.376SS..  trans-78.3176.8167.781.9-14.8000111.3N52 G53 K54 L56D50-N52 PolarHBondContact O-N 2.97Å; D50-N52 VanDerWaalsContact OD1-C 3.26Å; D50-N52 VanDerWaalsContact OD1-CA 3.25Å; D50-N52 WeakPolarHBondContact OD1-CA 3.35Å; D50-N52 VanDerWaalsContact OD1-CB 3.31Å; D50-N52 WeakPolarHBondContact OD1-CB 3.48Å; D50-N52 PolarHBondContact OD1-N 3.44Å; D50-N52 PolarHBondContact OD2-ND2 3.03Å; D50-G53 PolarHBondContact O-N 2.84Å; D50-G53 PolarHBondContact OD1-N 2.89Å; D50-G53 VanDerWaalsContact OD1-N 3.12Å; D50-K54 PolarHBondContact N-O 3.35Å; D50-K54 WeakPolarHBondContact OD1-CB 3.13Å; D50-K54 PolarHBondContact OD1-N 3.44Å; D50-L56 HydrophobicContact CB-CD2 3.86Å
51S76.6Confident87.3Confident131 Ų13161.3 Ų61.392%0.91634%0.343SS*.THydrogen-bonded Turntrans-62.5-4.2176.8-45.80000114.7
52N78.2Confident87.4Confident123 Ų12358.7 Ų58.766%0.65833%0.327SS*.THydrogen-bonded Turntrans-110.49.5178.1-46.2-76.6000112D50 K54D50-N52 PolarHBondContact O-N 2.97Å; D50-N52 VanDerWaalsContact OD1-C 3.26Å; D50-N52 VanDerWaalsContact OD1-CA 3.25Å; D50-N52 WeakPolarHBondContact OD1-CA 3.35Å; D50-N52 VanDerWaalsContact OD1-CB 3.31Å; D50-N52 WeakPolarHBondContact OD1-CB 3.48Å; D50-N52 PolarHBondContact OD1-N 3.44Å; D50-N52 PolarHBondContact OD2-ND2 3.03Å; N52-K54 VanDerWaalsContact C-N 3.3Å; N52-K54 HydrophobicContact CB-CG 4.48Å; N52-K54 PolarHBondContact O-N 2.93Å
53G75.9Confident87.3Confident49 Ų4962.6 Ų62.651%0.50536%0.359SS..SBendtrans74.312.9-177.700000114.8D50D50-G53 PolarHBondContact O-N 2.84Å; D50-G53 PolarHBondContact OD1-N 2.89Å; D50-G53 VanDerWaalsContact OD1-N 3.12Å
54K78.8Confident87.2Confident137 Ų13765.5 Ų65.560%0.59637%0.371SS*.PPolyproline II helixtrans-94.2142.5-178.3-63.3179.5-179174.90111.4L49 D50 N52 L56L49-K54 CarbonylContact C-O 3.48Å; L49-K54 VanDerWaalsContact CA-O 3.27Å; L49-K54 WeakPolarHBondContact CA-O 3.45Å; D50-K54 PolarHBondContact N-O 3.35Å; D50-K54 WeakPolarHBondContact OD1-CB 3.13Å; D50-K54 PolarHBondContact OD1-N 3.44Å; N52-K54 VanDerWaalsContact C-N 3.3Å; N52-K54 HydrophobicContact CB-CG 4.48Å; N52-K54 PolarHBondContact O-N 2.93Å; K54-L56 PolarHBondContact O-N 2.99Å
55P78.2Confident87.2Confident75 Ų7565.4 Ų65.449%0.48737%0.371SS..BIsolated β-bridgetrans-58.5129.6177.2-2333.1000112L49L49-P55 HydrophobicContact CD2-CG 4.37Å
56L83.8Confident87.3Confident45 Ų4568 Ų6824%0.23638%0.382CS..PPolyproline II helixtrans-59.9145.3-174.7-75.1162.9000112.9G48 D50 K54 R136G48-L56 WeakPolarHBondContact O-CG 3.37Å; G48-L56 PolarHBondContact O-N 3.23Å; D50-L56 HydrophobicContact CB-CD2 3.86Å; K54-L56 PolarHBondContact O-N 2.99Å; L56-R136 PolarHBondContact O-NH2 3.05Å
57E88Confident87.5Confident177 Ų17773.5 Ų73.583%0.82741%0.405SS*.PPolyproline II helixtrans-71.2162.2-178.7-65.2-165.2157.900113.2
58A93.2Very high88.1Confident27 Ų2776.4 Ų76.422%0.22342%0.416CS..PPolyproline II helixtrans-74.7132.8176.200000111.9Y44 V45 Y60Y44-A58 WeakPolarHBondContact O-CA 3.39Å; V45-A58 HydrophobicContact CG2-CB 3.48Å; V45-A58 VanDerWaalsContact CG2-CB 3.48Å; A58-Y60 HydrophobicContact CB-CE2 3.99Å; A58-Y60 WeakPolarHBondContact O-CD2 3.43Å; A58-Y60 WeakPolarHBondContact O-CE2 3.38Å
59V95.9Very high88.8Confident26 Ų2675.4 Ų75.416%0.15841%0.406CS..EExtended strand (participates in β ladder)trans-90.7151165.3-60.90000110.4S43 Y44 E64 I65 R68S43-V59 WeakPolarHBondContact CA-O 3.31Å; Y44-V59 HydrophobicContact CD1-CG2 3.95Å; Y44-V59 HydrophobicContact CG-CG2 4.46Å; Y44-V59 PolarHBondContact N-O 2.69Å; Y44-V59 PolarHBondContact O-N 2.9Å; V59-E64 HydrophobicContact CB-CB 4.44Å; V59-E64 HydrophobicContact CB-CG 3.89Å; V59-E64 HydrophobicContact CG1-CG 4.03Å; V59-I65 HydrophobicContact CG2-CG1 4.1Å; V59-R68 HydrophobicContact CG1-CG 4.45Å; V59-R68 HydrophobicContact CG2-CB 3.93Å; V59-R68 HydrophobicContact CG2-CG 4.08Å
60Y97.4Very high89.6Confident164 Ų16474.4 Ų74.464%0.64340%0.4SS*.EExtended strand (participates in β ladder)trans-124.9134-173-62.5-89.3000112.5S42 A58S42-Y60 CarbonylContact O-C 3.57Å; S42-Y60 VanDerWaalsContact O-CA 3.32Å; S42-Y60 WeakPolarHBondContact O-CA 3.3Å; A58-Y60 HydrophobicContact CB-CE2 3.99Å; A58-Y60 WeakPolarHBondContact O-CD2 3.43Å; A58-Y60 WeakPolarHBondContact O-CE2 3.38Å
61G95.7Very high90.3Very high10 Ų1075.4 Ų75.410%0.10342%0.415CS..SBendtrans81.3141.717500000114.6K40 S42 A63 E64 I65K40-G61 WeakPolarHBondContact O-CA 3.38Å; S42-G61 PolarHBondContact O-N 3.46Å; G61-A63 PolarHBondContact O-N 3.41Å; G61-E64 PolarHBondContact O-N 3.18Å; G61-E64 VanDerWaalsContact O-N 3.07Å; G61-I65 WeakPolarHBondContact O-CG1 3.27Å; G61-I65 PolarHBondContact O-N 3.21Å; G61-I65 VanDerWaalsContact O-N 3.08Å
62Q96.8Very high91Very high71 Ų7171.1 Ų71.133%0.33238%0.382SS..Hα-helixtrans-41.7-39.6-171.8-173.9173.651.500116.5H35 Y38 G39 H66H35-Q62 HydrophobicContact CB-CG 4.35Å; H35-Q62 WeakPolarHBondContact O-CG 3.21Å; H35-Q62 PolarHBondContact O-NE2 2.94Å; Y38-Q62 PolarHBondContact O-NE2 3.16Å; Y38-Q62 VanDerWaalsContact O-NE2 3.09Å; G39-Q62 PolarHBondContact O-N 2.79Å; G39-Q62 VanDerWaalsContact O-N 3.1Å; Q62-H66 WeakPolarHBondContact O-CB 3.22Å; Q62-H66 PolarHBondContact O-N 2.76Å
63A96.5Very high91.6Very high81 Ų8168.5 Ų68.567%0.66937%0.373SS*.Hα-helixtrans-70.6-42.9-177.200000113.3G61 H66 K67G61-A63 PolarHBondContact O-N 3.41Å; A63-H66 PolarHBondContact O-N 2.77Å; A63-K67 PolarHBondContact O-N 3.36Å; A63-K67 VanDerWaalsContact O-N 3.14Å
64E96.3Very high92.4Very high75 Ų7566.9 Ų66.935%0.3535%0.352SS..Hα-helixtrans-77.1-31.4177.3-164.962.6-153.400110.6V59 G61 K67 R68V59-E64 HydrophobicContact CB-CB 4.44Å; V59-E64 HydrophobicContact CB-CG 3.89Å; V59-E64 HydrophobicContact CG1-CG 4.03Å; G61-E64 PolarHBondContact O-N 3.18Å; G61-E64 VanDerWaalsContact O-N 3.07Å; E64-K67 VanDerWaalsContact CD-NZ 3.28Å; E64-K67 PolarHBondContact O-N 3Å; E64-K67 WeakPolarHBondContact OE1-CE 3.42Å; E64-K67 IonicContact OE1-NZ 2.79Å; E64-K67 PolarHBondContact OE1-NZ 2.79Å; E64-K67 IonicContact OE2-NZ 3.65Å; E64-K67 PolarHBondContact OE2-NZ 2.92Å; E64-R68 VanDerWaalsContact O-CB 3.28Å; E64-R68 WeakPolarHBondContact O-CB 3.33Å; E64-R68 PolarHBondContact O-N 3.45Å
65I97.1Very high92.9Very high0 Ų067.7 Ų67.70%035%0.352CS..Hα-helixtrans-60-47.9169.4-61.4172.4000110.5Y38 Y44 V59 G61 K67 R68 V69Y38-I65 HydrophobicContact CD1-CD1 3.74Å; Y38-I65 HydrophobicContact CD1-CG2 4.16Å; Y38-I65 HydrophobicContact CD2-CG2 3.88Å; Y38-I65 HydrophobicContact CE1-CD1 4.5Å; Y38-I65 HydrophobicContact CE1-CG2 4.27Å; Y38-I65 HydrophobicContact CE2-CG2 4Å; Y38-I65 HydrophobicContact CG-CD1 3.93Å; Y38-I65 HydrophobicContact CG-CG2 3.94Å; Y44-I65 HydrophobicContact CD1-CG2 4.42Å; Y44-I65 HydrophobicContact CD2-CG2 4.25Å; Y44-I65 HydrophobicContact CG-CG2 4.02Å; V59-I65 HydrophobicContact CG2-CG1 4.1Å; G61-I65 WeakPolarHBondContact O-CG1 3.27Å; G61-I65 PolarHBondContact O-N 3.21Å; G61-I65 VanDerWaalsContact O-N 3.08Å; I65-K67 PolarHBondContact O-N 3.37Å; I65-R68 PolarHBondContact O-N 2.8Å; I65-V69 HydrophobicContact CG2-CG2 4.39Å; I65-V69 WeakPolarHBondContact O-CG2 3.19Å; I65-V69 PolarHBondContact O-N 2.86Å
66H97Very high93.5Very high68 Ų6868.8 Ų68.832%0.31535%0.353SS..Hα-helixtrans-56.3-52.4175.7177.2-122000111.7H35 Q62 A63 R68 V69 M70H35-H66 HydrophobicContact CB-CB 3.65Å; H35-H66 AromaticContact CE1-CD2 4Å; H35-H66 AromaticContact CG-CD2 3.76Å; H35-H66 AromaticContact ND1-CD2 3.23Å; H35-H66 PolarHBondContact ND1-CD2 2.92Å; H35-H66 AromaticContact ND1-CG 3.89Å; H35-H66 AromaticContact ND1-NE2 3.83Å; Q62-H66 WeakPolarHBondContact O-CB 3.22Å; Q62-H66 PolarHBondContact O-N 2.76Å; A63-H66 PolarHBondContact O-N 2.77Å; H66-R68 VanDerWaalsContact C-N 3.26Å; H66-R68 PolarHBondContact O-N 2.85Å; H66-V69 PolarHBondContact O-N 2.76Å; H66-M70 VanDerWaalsContact O-CG 3.31Å; H66-M70 WeakPolarHBondContact O-CG 3Å; H66-M70 PolarHBondContact O-N 2.86Å
67K96Very high93.9Very high123 Ų12366.6 Ų66.654%0.53534%0.342SS..Hα-helixtrans-56.7-38.2176.5175.6178.3156.8-141.30112.3A63 E64 I65 A71A63-K67 PolarHBondContact O-N 3.36Å; A63-K67 VanDerWaalsContact O-N 3.14Å; E64-K67 VanDerWaalsContact CD-NZ 3.28Å; E64-K67 PolarHBondContact O-N 3Å; E64-K67 WeakPolarHBondContact OE1-CE 3.42Å; E64-K67 IonicContact OE1-NZ 2.79Å; E64-K67 PolarHBondContact OE1-NZ 2.79Å; E64-K67 IonicContact OE2-NZ 3.65Å; E64-K67 PolarHBondContact OE2-NZ 2.92Å; I65-K67 PolarHBondContact O-N 3.37Å; K67-A71 WeakPolarHBondContact O-CB 3.35Å; K67-A71 PolarHBondContact O-N 3.02Å
68R94.4Very high94.2Very high63 Ų6363.2 Ų63.224%0.23833%0.326CS..Hα-helixtrans-70.6-41.4177.4-174.564.8-179.1169.17.1112.8Y44 V59 E64 I65 H66 M70 A71 L72Y44-R68 HydrophobicContact CD1-CB 4.41Å; Y44-R68 HydrophobicContact CD1-CG 3.95Å; Y44-R68 HydrophobicContact CE1-CB 4.38Å; Y44-R68 HydrophobicContact CE1-CG 3.79Å; V59-R68 HydrophobicContact CG1-CG 4.45Å; V59-R68 HydrophobicContact CG2-CB 3.93Å; V59-R68 HydrophobicContact CG2-CG 4.08Å; E64-R68 VanDerWaalsContact O-CB 3.28Å; E64-R68 WeakPolarHBondContact O-CB 3.33Å; E64-R68 PolarHBondContact O-N 3.45Å; I65-R68 PolarHBondContact O-N 2.8Å; H66-R68 VanDerWaalsContact C-N 3.26Å; H66-R68 PolarHBondContact O-N 2.85Å; R68-M70 VanDerWaalsContact C-N 3.34Å; R68-A71 PolarHBondContact O-N 3.4Å; R68-L72 WeakPolarHBondContact O-CG 3.23Å; R68-L72 PolarHBondContact O-N 2.95Å
69V94.6Very high94.4Very high0 Ų063.9 Ų63.90%033%0.327CS..Hα-helixtrans-62.7-41.3174.3172.80000110.9P31 L34 Y44 I65 H66 L72 F74P31-V69 HydrophobicContact CB-CG1 4.43Å; L34-V69 HydrophobicContact CB-CG1 4.38Å; L34-V69 HydrophobicContact CD2-CG1 4.02Å; L34-V69 HydrophobicContact CD2-CG2 4.11Å; Y44-V69 HydrophobicContact CE1-CG2 4.19Å; Y44-V69 HydrophobicContact CE2-CG2 4.38Å; I65-V69 HydrophobicContact CG2-CG2 4.39Å; I65-V69 WeakPolarHBondContact O-CG2 3.19Å; I65-V69 PolarHBondContact O-N 2.86Å; H66-V69 PolarHBondContact O-N 2.76Å; V69-L72 PolarHBondContact O-N 2.78Å; V69-F74 HydrophobicContact CG1-CD2 3.96Å; V69-F74 HydrophobicContact CG1-CE2 4.07Å
70M93.9Very high94.4Very high65 Ų6568 Ų6832%0.3234%0.343SS..Hα-helixtrans-64.9-38.7174.5-63.9-64.69100112.6D32 H66 R68 L72 S73D32-M70 VanDerWaalsContact CA-CE 3.48Å; D32-M70 HydrophobicContact CB-CE 4.36Å; H66-M70 VanDerWaalsContact O-CG 3.31Å; H66-M70 WeakPolarHBondContact O-CG 3Å; H66-M70 PolarHBondContact O-N 2.86Å; R68-M70 VanDerWaalsContact C-N 3.34Å; M70-L72 PolarHBondContact O-N 3.39Å; M70-S73 PolarHBondContact O-N 3.07Å; M70-S73 VanDerWaalsContact O-N 3.14Å
71A93Very high94.4Very high74 Ų7463.1 Ų63.161%0.61233%0.327SS*.Hα-helixtrans-69-14.5176.200000114.4K67 R68 S73K67-A71 WeakPolarHBondContact O-CB 3.35Å; K67-A71 PolarHBondContact O-N 3.02Å; R68-A71 PolarHBondContact O-N 3.4Å; A71-S73 VanDerWaalsContact C-N 3.35Å
72L90.8Very high94.5Very high40 Ų4071 Ų7121%0.20935%0.354CS..THydrogen-bonded Turntrans-87.5-5.1173.8-70.5164.6000112.9Y44 H46 R68 V69 M70 F74 N104Y44-L72 HydrophobicContact CE1-CD1 4.22Å; H46-L72 HydrophobicContact CB-CD1 3.99Å; R68-L72 WeakPolarHBondContact O-CG 3.23Å; R68-L72 PolarHBondContact O-N 2.95Å; V69-L72 PolarHBondContact O-N 2.78Å; M70-L72 PolarHBondContact O-N 3.39Å; L72-F74 VanDerWaalsContact C-N 3.32Å; L72-F74 HydrophobicContact CB-CD2 4.03Å; L72-F74 HydrophobicContact CB-CE2 3.56Å; L72-F74 HydrophobicContact CB-CZ 3.91Å; L72-F74 HydrophobicContact CD1-CE2 3.81Å; L72-F74 HydrophobicContact CD1-CZ 3.9Å; L72-F74 HydrophobicContact CG-CE2 4.33Å; L72-F74 HydrophobicContact CG-CZ 4.5Å; L72-F74 PolarHBondContact O-N 2.91Å; L72-N104 PolarHBondContact O-ND2 3.15Å
73S91.1Very high94.5Very high69 Ų6971.9 Ų71.948%0.48336%0.358SS..THydrogen-bonded Turntrans42.252.1175.759.30000114.3M70 A71 R75M70-S73 PolarHBondContact O-N 3.07Å; M70-S73 VanDerWaalsContact O-N 3.14Å; A71-S73 VanDerWaalsContact C-N 3.35Å; S73-R75 PolarHBondContact O-N 3.34Å
74F91.6Very high94.6Very high15 Ų1568.9 Ų68.97%0.06633%0.331CS..  trans-58.6123.9174.9-67.3-72.2000111.4L27 P31 H46 V69 L72 C77 N104L27-F74 HydrophobicContact CD1-CD1 3.94Å; L27-F74 HydrophobicContact CD1-CD2 3.83Å; L27-F74 HydrophobicContact CD1-CE1 4.04Å; L27-F74 HydrophobicContact CD1-CE2 3.92Å; L27-F74 HydrophobicContact CD1-CG 3.83Å; L27-F74 HydrophobicContact CD1-CZ 4.02Å; L27-F74 HydrophobicContact CD2-CE1 4.49Å; L27-F74 HydrophobicContact CG-CD1 4.38Å; P31-F74 HydrophobicContact CB-CB 3.86Å; P31-F74 HydrophobicContact CB-CD2 4.4Å; P31-F74 HydrophobicContact CG-CB 3.94Å; H46-F74 AromaticContact CD2-CZ 3.9Å; H46-F74 AromaticContact CE1-CZ 3.95Å; H46-F74 AromaticContact NE2-CE1 3.82Å; H46-F74 AromaticContact NE2-CZ 3.53Å; V69-F74 HydrophobicContact CG1-CD2 3.96Å; V69-F74 HydrophobicContact CG1-CE2 4.07Å; L72-F74 VanDerWaalsContact C-N 3.32Å; L72-F74 HydrophobicContact CB-CD2 4.03Å; L72-F74 HydrophobicContact CB-CE2 3.56Å; L72-F74 HydrophobicContact CB-CZ 3.91Å; L72-F74 HydrophobicContact CD1-CE2 3.81Å; L72-F74 HydrophobicContact CD1-CZ 3.9Å; L72-F74 HydrophobicContact CG-CE2 4.33Å; L72-F74 HydrophobicContact CG-CZ 4.5Å; L72-F74 PolarHBondContact O-N 2.91Å; F74-C77 HydrophobicContact CD1-CB 4.42Å; F74-N104 VanDerWaalsContact CA-OD1 3.31Å; F74-N104 WeakPolarHBondContact CA-OD1 3.27Å
75R89.9Confident94.7Very high154 Ų15467.8 Ų67.858%0.58133%0.328SS*.  trans-146.3133.8177.8-66176.2-177.4169.40.5108.3S73 C77 N104 N105S73-R75 PolarHBondContact O-N 3.34Å; R75-C77 PolarHBondContact O-N 3Å; R75-C77 VanDerWaalsContact O-N 3.15Å; R75-N104 PolarHBondContact N-OD1 3.39Å; R75-N104 PolarHBondContact O-OD1 3.41Å; R75-N104 VanDerWaalsContact O-OD1 3.06Å; R75-N105 HydrophobicContact CB-CB 4.46Å; R75-N105 WeakPolarHBondContact O-CA 3.13Å; R75-N105 PolarHBondContact O-N 2.88Å
76D90.1Very high94.8Very high97 Ų9767.9 Ų67.952%0.51933%0.329SS..SBendtrans45.549.1179.9-53-54000111.8H78D76-H78 PolarHBondContact O-N 3.29Å; D76-H78 VanDerWaalsContact O-N 3.07Å; D76-H78 PolarHBondContact O-ND1 3.08Å
77C92.9Very high94.8Very high0 Ų070.5 Ų70.50%034%0.341CS..  trans-80.791.8-168.9-172.70000111.1L27 N28 F74 R75 S103L27-C77 HydrophobicContact CG-CB 4.38Å; N28-C77 WeakPolarHBondContact CB-O 3.4Å; N28-C77 PolarHBondContact OD1-N 2.93Å; N28-C77 PolarHBondContact OD1-O 3.2Å; F74-C77 HydrophobicContact CD1-CB 4.42Å; R75-C77 PolarHBondContact O-N 3Å; R75-C77 VanDerWaalsContact O-N 3.15Å; C77-S103 CarbonylContact C-O 3.57Å; C77-S103 VanDerWaalsContact CA-O 3.31Å; C77-S103 WeakPolarHBondContact CA-O 3.31Å; C77-S103 PolarHBondContact SG-O 2.91Å; C77-S103 VanDerWaalsContact SG-O 3.36Å
78H94.8Very high94.8Very high105 Ų10568.4 Ų68.449%0.48635%0.347SS..  trans-87.2123.3-175.7-72.576.4000111.8D76 S103 M109D76-H78 PolarHBondContact O-N 3.29Å; D76-H78 VanDerWaalsContact O-N 3.07Å; D76-H78 PolarHBondContact O-ND1 3.08Å; H78-S103 PolarHBondContact N-O 3.45Å; H78-S103 VanDerWaalsContact N-O 3.07Å; H78-S103 PolarHBondContact O-N 3.47Å; H78-M109 WeakPolarHBondContact O-CE 3.46Å
79T96.4Very high94.9Very high42 Ų4268.2 Ų68.226%0.25835%0.353SS..EExtended strand (participates in β ladder)trans-120.8126.3-176.959.80000112.5Y24 E101 L102Y24-T79 HydrophobicContact CD1-CG2 3.73Å; Y24-T79 HydrophobicContact CE1-CG2 4.43Å; Y24-T79 HydrophobicContact CG-CG2 4.14Å; T79-E101 CarbonylContact C-O 3.59Å; T79-E101 WeakPolarHBondContact CA-O 3.47Å; T79-L102 HydrophobicContact CG2-CB 4.46Å; T79-L102 HydrophobicContact CG2-CD1 3.86Å; T79-L102 HydrophobicContact CG2-CG 3.96Å
80K97Very high94.8Very high113 Ų11375.4 Ų75.449%0.49139%0.39SS..EExtended strand (participates in β ladder)trans-107.299.8170.8-67172.2-177.4162.40109.2G100 E101 M109K80-G100 CarbonylContact O-C 3.49Å; K80-G100 WeakPolarHBondContact O-CA 3.49Å; K80-E101 HydrophobicContact CB-CB 4.33Å; K80-E101 PolarHBondContact N-O 3.17Å; K80-E101 PolarHBondContact O-N 2.95Å; K80-M109 HydrophobicContact CD-CE 4.12Å; K80-M109 HydrophobicContact CD-SD 3.61Å; K80-M109 WeakPolarHBondContact CE-SD 3.32Å; K80-M109 HydrophobicContact CG-CE 4.09Å; K80-M109 HydrophobicContact CG-SD 4.21Å; K80-M109 PolarHBondContact NZ-SD 2.85Å
81I97.7Very high94.6Very high60 Ų6079.4 Ų79.431%0.30841%0.413SS..EExtended strand (participates in β ladder)trans-79.4122.6179.4-50.6-52.4000109.4V20 Y24 V84 V98 F112V20-I81 HydrophobicContact CG1-CG1 4.43Å; V20-I81 HydrophobicContact CG1-CG2 4.4Å; Y24-I81 HydrophobicContact CD2-CD1 3.6Å; Y24-I81 HydrophobicContact CD2-CG1 4.07Å; Y24-I81 HydrophobicContact CE1-CD1 4.48Å; Y24-I81 HydrophobicContact CE2-CD1 3.4Å; Y24-I81 VanDerWaalsContact CE2-CD1 3.4Å; Y24-I81 HydrophobicContact CE2-CG1 4.17Å; Y24-I81 HydrophobicContact CG-CD1 4.23Å; I81-V84 HydrophobicContact CG2-CG2 3.58Å; I81-V98 HydrophobicContact CD1-CG1 4.13Å; I81-V98 HydrophobicContact CG2-CG1 3.83Å; I81-F112 HydrophobicContact CD1-CZ 3.94Å
82R97.5Very high94.5Very high175 Ų17581.9 Ų81.966%0.6641%0.412SS*.EExtended strand (participates in β ladder)trans-94.2-39.3-179.3-64.7-69.3-170.1168.51.3112.1M99 E101R82-M99 WeakPolarHBondContact CA-O 3.49Å; R82-M99 WeakPolarHBondContact CB-O 3.26Å; R82-M99 PolarHBondContact N-O 3.07Å; R82-E101 IonicContact CZ-OE1 2.73Å; R82-E101 IonicContact NE-OE1 3.88Å; R82-E101 PolarHBondContact NE-OE1 3.25Å; R82-E101 IonicContact NH2-OE1 2.61Å; R82-E101 PolarHBondContact NH2-OE1 2.8Å; R82-E101 IonicContact NH2-OE2 2.69Å
83H97Very high94.7Very high91 Ų9180.1 Ų80.142%0.42140%0.404SS..EExtended strand (participates in β ladder)trans-146.1148.9178.5-143.5-89.5000112D85 M99H83-D85 IonicContact CE1-OD1 3.87Å; H83-D85 PolarHBondContact CE1-OD1 2.83Å; H83-D85 IonicContact CE1-OD2 3.46Å; H83-D85 PolarHBondContact CE1-OD2 2.89Å; H83-D85 IonicContact CG-OD2 2.69Å; H83-D85 VanDerWaalsContact ND1-CG 3.33Å; H83-D85 IonicContact ND1-OD1 2.7Å; H83-D85 PolarHBondContact ND1-OD1 3.36Å; H83-D85 IonicContact ND1-OD2 3.52Å; H83-D85 PolarHBondContact ND1-OD2 3.22Å; H83-M99 HydrophobicContact CB-CB 4.35Å; H83-M99 HydrophobicContact CB-CE 3.69Å; H83-M99 PolarHBondContact N-O 2.92Å; H83-M99 PolarHBondContact O-N 2.85Å; H83-M99 VanDerWaalsContact O-N 3.13Å
84V98.3Very high95Very high18 Ų1877.1 Ų77.111%0.10938%0.383CS..EExtended strand (participates in β ladder)trans-139.5114.5170.7-175.60000108.9Q13 R17 V20 I81 V96 Q97Q13-V84 PolarHBondContact NE2-O 2.74Å; R17-V84 HydrophobicContact CG-CB 4.34Å; R17-V84 HydrophobicContact CG-CG1 4.14Å; V20-V84 HydrophobicContact CB-CG1 4.48Å; V20-V84 HydrophobicContact CB-CG2 4.36Å; V20-V84 HydrophobicContact CG1-CG2 3.79Å; V20-V84 HydrophobicContact CG2-CG1 4.02Å; V20-V84 HydrophobicContact CG2-CG2 4.36Å; I81-V84 HydrophobicContact CG2-CG2 3.58Å; V84-V96 HydrophobicContact CG1-CG1 3.79Å; V84-Q97 WeakPolarHBondContact CA-O 3.35Å
85D98.1Very high95.3Very high51 Ų5178.5 Ų78.527%0.27339%0.392SS..EExtended strand (participates in β ladder)trans-112.5129.2171.7-64.6-67.3000109.3H83 V96 Q97H83-D85 IonicContact CE1-OD1 3.87Å; H83-D85 PolarHBondContact CE1-OD1 2.83Å; H83-D85 IonicContact CE1-OD2 3.46Å; H83-D85 PolarHBondContact CE1-OD2 2.89Å; H83-D85 IonicContact CG-OD2 2.69Å; H83-D85 VanDerWaalsContact ND1-CG 3.33Å; H83-D85 IonicContact ND1-OD1 2.7Å; H83-D85 PolarHBondContact ND1-OD1 3.36Å; H83-D85 IonicContact ND1-OD2 3.52Å; H83-D85 PolarHBondContact ND1-OD2 3.22Å; D85-V96 CarbonylContact O-C 3.51Å; D85-V96 WeakPolarHBondContact O-CA 3.48Å; D85-Q97 PolarHBondContact N-O 3.02Å; D85-Q97 PolarHBondContact O-N 3.13Å
86A98Very high95.7Very high3 Ų371.1 Ų71.13%0.02536%0.364CS..EExtended strand (participates in β ladder)trans-138.4129.7177.900000112.7A12 Q13 V94 V95 V96A12-A86 VanDerWaalsContact O-CB 3.3Å; A12-A86 WeakPolarHBondContact O-CB 3.43Å; Q13-A86 PolarHBondContact OE1-O 3.04Å; A86-V94 HydrophobicContact CB-CG1 3.91Å; A86-V95 CarbonylContact C-O 3.47Å; A86-V95 WeakPolarHBondContact CA-O 3.37Å; A86-V96 HydrophobicContact CB-CB 4.34Å; A86-V96 HydrophobicContact CB-CG1 4.21Å; A86-V96 HydrophobicContact CB-CG2 3.92Å
87H97.8Very high96.1Very high122 Ų12270.5 Ų70.557%0.56536%0.358SS*.EExtended strand (participates in β ladder)trans-130.9143.5-174-63.3-50.8000110.8V94 V95H87-V94 CarbonylContact O-C 3.59Å; H87-V94 WeakPolarHBondContact O-CA 3.05Å; H87-V95 HydrophobicContact CB-CG1 4.13Å; H87-V95 PolarHBondContact N-O 2.88Å; H87-V95 PolarHBondContact O-N 2.94Å
88A96.9Very high96.4Very high80 Ų8070.5 Ų70.566%0.66136%0.358SS*.EExtended strand (participates in β ladder)trans-66138.9174.200000110.4A12 G93A12-A88 HydrophobicContact CB-CB 4.2Å; A88-G93 WeakPolarHBondContact CA-O 3.18Å
89T95.6Very high96.5Very high59 Ų5969.3 Ų69.336%0.36235%0.354SS..  trans-119.6-171.7178.960.50000111G93 V95T89-G93 PolarHBondContact N-O 2.87Å; T89-G93 WeakPolarHBondContact OG1-CA 3.23Å; T89-G93 PolarHBondContact OG1-O 3.32Å; T89-V95 HydrophobicContact CG2-CB 3.71Å; T89-V95 HydrophobicContact CG2-CG1 3.62Å
90L92.1Very high96.6Very high151 Ų15167.6 Ų67.679%0.79134%0.344SS*.G310 helixtrans-61154.8176-59.3175.5000111.1E92 G93L90-E92 PolarHBondContact O-N 2.73Å; L90-G93 PolarHBondContact O-N 3.29Å; L90-G93 VanDerWaalsContact O-N 3.15Å
91N90.2Very high96.6Very high149 Ų14963.5 Ų63.580%0.79733%0.327SS*.G310 helixtrans55.934.4176.9-52.4-23.2000114.1G93N91-G93 PolarHBondContact O-N 3.04Å
92E90.6Very high96.5Very high125 Ų12560.7 Ų60.758%0.58431%0.313SS*.G310 helixtrans61.117.4-177.5-43.2-154.3115.600115.6K9 L90 P120K9-E92 IonicContact NZ-OE1 2.68Å; K9-E92 PolarHBondContact NZ-OE1 2.73Å; K9-E92 IonicContact NZ-OE2 3.06Å; K9-E92 PolarHBondContact NZ-OE2 2.94Å; L90-E92 PolarHBondContact O-N 2.73Å; E92-P120 HydrophobicContact CB-CG 4.4Å
93G94.6Very high96.4Very high4 Ų452.9 Ų52.94%0.04129%0.285CS..  trans-69.7172.1172.700000113.4A88 T89 L90 N91 L118A88-G93 WeakPolarHBondContact CA-O 3.18Å; T89-G93 PolarHBondContact N-O 2.87Å; T89-G93 WeakPolarHBondContact OG1-CA 3.23Å; T89-G93 PolarHBondContact OG1-O 3.32Å; L90-G93 PolarHBondContact O-N 3.29Å; L90-G93 VanDerWaalsContact O-N 3.15Å; N91-G93 PolarHBondContact O-N 3.04Å; G93-L118 CarbonylContact C-O 3.59Å; G93-L118 WeakPolarHBondContact CA-O 3.23Å
94V97.6Very high96.2Very high6 Ų650 Ų504%0.03627%0.273CS..EExtended strand (participates in β ladder)trans-132.4123.2171.9176.60000108.4A12 V15 A86 H87 V96 L118 F128A12-V94 HydrophobicContact CB-CG1 4.06Å; A12-V94 HydrophobicContact CB-CG2 3.96Å; V15-V94 HydrophobicContact CG1-CG2 4.37Å; A86-V94 HydrophobicContact CB-CG1 3.91Å; H87-V94 CarbonylContact O-C 3.59Å; H87-V94 WeakPolarHBondContact O-CA 3.05Å; V94-V96 HydrophobicContact CG1-CG2 3.92Å; V94-L118 HydrophobicContact CB-CB 4.3Å; V94-L118 PolarHBondContact N-O 2.8Å; V94-L118 PolarHBondContact O-N 2.89Å; V94-F128 HydrophobicContact CG2-CE1 4.43Å
95V98.3Very high95.9Very high43 Ų4352.7 Ų52.726%0.26129%0.286SS..EExtended strand (participates in β ladder)trans-83.8136.9164.263.60000108.2A86 H87 T89 T115 F116A86-V95 CarbonylContact C-O 3.47Å; A86-V95 WeakPolarHBondContact CA-O 3.37Å; H87-V95 HydrophobicContact CB-CG1 4.13Å; H87-V95 PolarHBondContact N-O 2.88Å; H87-V95 PolarHBondContact O-N 2.94Å; T89-V95 HydrophobicContact CG2-CB 3.71Å; T89-V95 HydrophobicContact CG2-CG1 3.62Å; V95-T115 HydrophobicContact CG2-CG2 4.08Å; V95-F116 WeakPolarHBondContact CA-O 3.32Å
96V98.7Very high95.5Very high0 Ų058.2 Ų58.20%031%0.312CS..EExtended strand (participates in β ladder)trans-126.1121.8175.4-170.80000108.3V20 V84 D85 A86 V94 V98 T115 F116 L118V20-V96 HydrophobicContact CG2-CG1 3.87Å; V84-V96 HydrophobicContact CG1-CG1 3.79Å; D85-V96 CarbonylContact O-C 3.51Å; D85-V96 WeakPolarHBondContact O-CA 3.48Å; A86-V96 HydrophobicContact CB-CB 4.34Å; A86-V96 HydrophobicContact CB-CG1 4.21Å; A86-V96 HydrophobicContact CB-CG2 3.92Å; V94-V96 HydrophobicContact CG1-CG2 3.92Å; V96-V98 HydrophobicContact CG1-CG2 4.01Å; V96-T115 WeakPolarHBondContact O-CA 3.48Å; V96-F116 HydrophobicContact CB-CB 4.25Å; V96-F116 HydrophobicContact CB-CD2 4.43Å; V96-F116 PolarHBondContact N-O 3.5Å; V96-F116 PolarHBondContact O-N 2.92Å; V96-L118 HydrophobicContact CG2-CD1 3.89Å; V96-L118 HydrophobicContact CG2-CG 4.21Å
97Q98.5Very high95.1Very high83 Ų8363.8 Ų63.839%0.38834%0.338SS..EExtended strand (participates in β ladder)trans-103.6130.3169.3-171.7172.32.300109.1V84 D85V84-Q97 WeakPolarHBondContact CA-O 3.35Å; D85-Q97 PolarHBondContact N-O 3.02Å; D85-Q97 PolarHBondContact O-N 3.13Å
98V98.6Very high94.9Very high0 Ų062.8 Ų62.80%034%0.342CS..EExtended strand (participates in β ladder)trans-122.3135-179.7-169.70000109.4V20 Y24 I81 V96 F112 M113 Q114 F116V20-V98 HydrophobicContact CG2-CG2 3.5Å; Y24-V98 HydrophobicContact CE2-CG1 4.1Å; Y24-V98 WeakPolarHBondContact OH-CG1 3.42Å; I81-V98 HydrophobicContact CD1-CG1 4.13Å; I81-V98 HydrophobicContact CG2-CG1 3.83Å; V96-V98 HydrophobicContact CG1-CG2 4.01Å; V98-F112 HydrophobicContact CB-CE2 4.5Å; V98-F112 HydrophobicContact CG1-CE2 4.14Å; V98-F112 HydrophobicContact CG1-CZ 4.3Å; V98-M113 WeakPolarHBondContact O-CA 3.5Å; V98-Q114 HydrophobicContact CB-CB 4.42Å; V98-Q114 PolarHBondContact N-O 3.3Å; V98-Q114 PolarHBondContact O-N 2.75Å; V98-F116 HydrophobicContact CG2-CD2 4.13Å; V98-F116 HydrophobicContact CG2-CE2 3.91Å
99M98.1Very high94.8Very high81 Ų8161.9 Ų61.940%0.39933%0.325SS..EExtended strand (participates in β ladder)trans-125.4134.2171.9-63.9-178.2-71.200108.4R82 H83R82-M99 WeakPolarHBondContact CA-O 3.49Å; R82-M99 WeakPolarHBondContact CB-O 3.26Å; R82-M99 PolarHBondContact N-O 3.07Å; H83-M99 HydrophobicContact CB-CB 4.35Å; H83-M99 HydrophobicContact CB-CE 3.69Å; H83-M99 PolarHBondContact N-O 2.92Å; H83-M99 PolarHBondContact O-N 2.85Å; H83-M99 VanDerWaalsContact O-N 3.13Å
100G97.4Very high94.8Very high6 Ų662.8 Ų62.86%0.06232%0.322CS..EExtended strand (participates in β ladder)trans-174.5-171.1-175.200000114K80 K111 F112K80-G100 CarbonylContact O-C 3.49Å; K80-G100 WeakPolarHBondContact O-CA 3.49Å; G100-K111 WeakPolarHBondContact O-CA 3.47Å; G100-F112 VanDerWaalsContact C-CD1 3.49Å; G100-F112 VanDerWaalsContact C-CE1 3.44Å; G100-F112 PolarHBondContact N-O 2.94Å; G100-F112 WeakPolarHBondContact O-CD1 3.28Å; G100-F112 PolarHBondContact O-N 2.93Å
101E96.9Very high95Very high27 Ų2761.5 Ų61.513%0.12631%0.31CS..EExtended strand (participates in β ladder)trans-119.3139.1171.6-63.8140.2-137.200109.5T79 K80 R82 M109 R110 K111T79-E101 CarbonylContact C-O 3.59Å; T79-E101 WeakPolarHBondContact CA-O 3.47Å; K80-E101 HydrophobicContact CB-CB 4.33Å; K80-E101 PolarHBondContact N-O 3.17Å; K80-E101 PolarHBondContact O-N 2.95Å; R82-E101 IonicContact CZ-OE1 2.73Å; R82-E101 IonicContact NE-OE1 3.88Å; R82-E101 PolarHBondContact NE-OE1 3.25Å; R82-E101 IonicContact NH2-OE1 2.61Å; R82-E101 PolarHBondContact NH2-OE1 2.8Å; R82-E101 IonicContact NH2-OE2 2.69Å; E101-M109 HydrophobicContact CB-CB 4.15Å; E101-M109 HydrophobicContact CB-CE 4.24Å; E101-R110 CarbonylContact C-O 3.11Å; E101-R110 WeakPolarHBondContact CA-O 3.43Å; E101-K111 HydrophobicContact CG-CG 4.13Å
102L96.3Very high95.3Very high1 Ų154.8 Ų54.81%0.00527%0.274CS..EExtended strand (participates in β ladder)trans-128.5133.2178.5-173151.7000110L27 T79 N104 R110 F112 F135 Y137L27-L102 HydrophobicContact CD2-CD1 4.07Å; T79-L102 HydrophobicContact CG2-CB 4.46Å; T79-L102 HydrophobicContact CG2-CD1 3.86Å; T79-L102 HydrophobicContact CG2-CG 3.96Å; L102-N104 HydrophobicContact CD2-CB 4.36Å; L102-R110 PolarHBondContact N-O 3.26Å; L102-R110 PolarHBondContact O-N 3.27Å; L102-F112 HydrophobicContact CB-CD1 3.7Å; L102-F112 HydrophobicContact CB-CE1 3.84Å; L102-F135 HydrophobicContact CD1-CE2 4Å; L102-F135 HydrophobicContact CD1-CZ 4.2Å; L102-Y137 HydrophobicContact CD2-CE1 4.39Å; L102-Y137 WeakPolarHBondContact CD2-OH 3.36Å
103S95Very high95.6Very high10 Ų1053 Ų537%0.0727%0.266CS..  trans-112.6147.3166172.20000109C77 H78 Q107C77-S103 CarbonylContact C-O 3.57Å; C77-S103 VanDerWaalsContact CA-O 3.31Å; C77-S103 WeakPolarHBondContact CA-O 3.31Å; C77-S103 PolarHBondContact SG-O 2.91Å; C77-S103 VanDerWaalsContact SG-O 3.36Å; H78-S103 PolarHBondContact N-O 3.45Å; H78-S103 VanDerWaalsContact N-O 3.07Å; H78-S103 PolarHBondContact O-N 3.47Å; S103-Q107 WeakPolarHBondContact CB-O 3.47Å; S103-Q107 PolarHBondContact OG-O 3.41Å
104N93.5Very high95.7Very high32 Ų3252.8 Ų52.817%0.17126%0.264CS..SBendtrans-134.8137.9172.1-175.926.7000107.8L72 F74 R75 L102 M106 Q107L72-N104 PolarHBondContact O-ND2 3.15Å; F74-N104 VanDerWaalsContact CA-OD1 3.31Å; F74-N104 WeakPolarHBondContact CA-OD1 3.27Å; R75-N104 PolarHBondContact N-OD1 3.39Å; R75-N104 PolarHBondContact O-OD1 3.41Å; R75-N104 VanDerWaalsContact O-OD1 3.06Å; L102-N104 HydrophobicContact CD2-CB 4.36Å; N104-M106 VanDerWaalsContact C-N 3.29Å; N104-M106 PolarHBondContact O-N 3.01Å; N104-Q107 VanDerWaalsContact O-CB 3.25Å; N104-Q107 WeakPolarHBondContact O-CB 3.2Å; N104-Q107 VanDerWaalsContact O-CG 3.23Å; N104-Q107 WeakPolarHBondContact O-CG 3.2Å; N104-Q107 PolarHBondContact O-N 3.15Å
105N92.1Very high95.7Very high74 Ų7454.7 Ų54.740%0.39628%0.276SS..THydrogen-bonded Turntrans48.349.9178.4-163.7101000112.4R75 Q107R75-N105 HydrophobicContact CB-CB 4.46Å; R75-N105 WeakPolarHBondContact O-CA 3.13Å; R75-N105 PolarHBondContact O-N 2.88Å; N105-Q107 PolarHBondContact O-N 2.61Å; N105-Q107 PolarHBondContact O-NE2 2.98Å
106M88Confident95.8Very high167 Ų16752.6 Ų52.682%0.82326%0.263SS*.THydrogen-bonded Turntrans55.513.8-178-60.1-179.267.200116.5N104N104-M106 VanDerWaalsContact C-N 3.29Å; N104-M106 PolarHBondContact O-N 3.01Å
107Q90.6Very high95.7Very high119 Ų11954.5 Ų54.556%0.55628%0.275SS*.  trans-67.4160.9176-64.5-57-67.600112.3S103 N104 N105S103-Q107 WeakPolarHBondContact CB-O 3.47Å; S103-Q107 PolarHBondContact OG-O 3.41Å; N104-Q107 VanDerWaalsContact O-CB 3.25Å; N104-Q107 WeakPolarHBondContact O-CB 3.2Å; N104-Q107 VanDerWaalsContact O-CG 3.23Å; N104-Q107 WeakPolarHBondContact O-CG 3.2Å; N104-Q107 PolarHBondContact O-N 3.15Å; N105-Q107 PolarHBondContact O-N 2.61Å; N105-Q107 PolarHBondContact O-NE2 2.98Å
108P93.6Very high95.7Very high101 Ų10150.7 Ų50.766%0.65626%0.257SS*.  trans-49.6147174.6-29.136.4000113.3R110P108-R110 PolarHBondContact O-N 3.47Å; P108-R110 VanDerWaalsContact O-N 3.15Å
109M94.6Very high95.6Very high62 Ų6251.4 Ų51.431%0.30526%0.263SS..  trans-75.6105-177.1-59.3-142.371.600110.8H78 K80 E101H78-M109 WeakPolarHBondContact O-CE 3.46Å; K80-M109 HydrophobicContact CD-CE 4.12Å; K80-M109 HydrophobicContact CD-SD 3.61Å; K80-M109 WeakPolarHBondContact CE-SD 3.32Å; K80-M109 HydrophobicContact CG-CE 4.09Å; K80-M109 HydrophobicContact CG-SD 4.21Å; K80-M109 PolarHBondContact NZ-SD 2.85Å; E101-M109 HydrophobicContact CB-CB 4.15Å; E101-M109 HydrophobicContact CB-CE 4.24Å
110R94.9Very high95.3Very high77 Ų7749.8 Ų49.829%0.29126%0.259SS..EExtended strand (participates in β ladder)trans-87.9132.3-178.1-65.8171.167-160.30.5110.6E101 L102 P108 Y137 D139 E140E101-R110 CarbonylContact C-O 3.11Å; E101-R110 WeakPolarHBondContact CA-O 3.43Å; L102-R110 PolarHBondContact N-O 3.26Å; L102-R110 PolarHBondContact O-N 3.27Å; P108-R110 PolarHBondContact O-N 3.47Å; P108-R110 VanDerWaalsContact O-N 3.15Å; R110-Y137 HydrophobicContact CB-CD1 3.48Å; R110-Y137 VanDerWaalsContact CB-CD1 3.48Å; R110-Y137 HydrophobicContact CB-CE1 3.69Å; R110-Y137 HydrophobicContact CB-CG 4.46Å; R110-Y137 HydrophobicContact CG-CD1 4.48Å; R110-Y137 VanDerWaalsContact CZ-CD2 3.47Å; R110-Y137 VanDerWaalsContact CZ-CG 3.49Å; R110-Y137 VanDerWaalsContact NH1-CE2 3.3Å; R110-Y137 VanDerWaalsContact NH2-CD2 3.32Å; R110-D139 IonicContact CZ-OD1 2.61Å; R110-D139 IonicContact CZ-OD2 2.73Å; R110-D139 IonicContact NE-OD1 2.56Å; R110-D139 PolarHBondContact NE-OD1 2.87Å; R110-D139 IonicContact NE-OD2 2.67Å; R110-D139 PolarHBondContact NE-OD2 2.67Å; R110-D139 IonicContact NH2-OD1 3.48Å; R110-D139 PolarHBondContact NH2-OD1 3.29Å; R110-D139 IonicContact NH2-OD2 3.6Å; R110-E140 IonicContact CZ-OE1 2.73Å; R110-E140 IonicContact NH1-OE1 2.87Å; R110-E140 VanDerWaalsContact NH2-CD 3.34Å; R110-E140 IonicContact NH2-OE1 3.69Å; R110-E140 PolarHBondContact NH2-OE1 2.85Å
111K96.2Very high94.9Very high124 Ų12452.5 Ų52.554%0.53927%0.27SS..EExtended strand (participates in β ladder)trans-67.9139.9175.1-66.2172-172.5163.80109.7G100 E101 Y137 Q138G100-K111 WeakPolarHBondContact O-CA 3.47Å; E101-K111 HydrophobicContact CG-CG 4.13Å; K111-Y137 CarbonylContact O-C 3.53Å; K111-Y137 WeakPolarHBondContact O-CA 3.41Å; K111-Q138 HydrophobicContact CB-CB 3.98Å; K111-Q138 VanDerWaalsContact CD-OE1 3.23Å; K111-Q138 PolarHBondContact O-N 2.79Å
112F96.6Very high94Very high8 Ų855.1 Ų55.14%0.03530%0.304CS..EExtended strand (participates in β ladder)trans-140.5157.818076-93.5000112.8Y24 I81 V98 G100 L102 Q114 F135 R136 Y137Y24-F112 HydrophobicContact CE1-CZ 4.17Å; Y24-F112 AromaticContact CZ-CZ 3.9Å; Y24-F112 WeakPolarHBondContact OH-CE2 3.37Å; Y24-F112 WeakPolarHBondContact OH-CZ 3.32Å; I81-F112 HydrophobicContact CD1-CZ 3.94Å; V98-F112 HydrophobicContact CB-CE2 4.5Å; V98-F112 HydrophobicContact CG1-CE2 4.14Å; V98-F112 HydrophobicContact CG1-CZ 4.3Å; G100-F112 VanDerWaalsContact C-CD1 3.49Å; G100-F112 VanDerWaalsContact C-CE1 3.44Å; G100-F112 PolarHBondContact N-O 2.94Å; G100-F112 WeakPolarHBondContact O-CD1 3.28Å; G100-F112 PolarHBondContact O-N 2.93Å; L102-F112 HydrophobicContact CB-CD1 3.7Å; L102-F112 HydrophobicContact CB-CE1 3.84Å; F112-Q114 HydrophobicContact CD2-CB 4.01Å; F112-Q114 HydrophobicContact CE2-CB 3.93Å; F112-F135 HydrophobicContact CB-CD2 4.39Å; F112-F135 HydrophobicContact CB-CE1 4.09Å; F112-F135 HydrophobicContact CB-CE2 3.61Å; F112-F135 HydrophobicContact CB-CZ 3.42Å; F112-F135 VanDerWaalsContact CB-CZ 3.42Å; F112-F135 AromaticContact CD1-CE2 3.93Å; F112-F135 HydrophobicContact CD1-CE2 3.93Å; F112-F135 HydrophobicContact CD1-CZ 4.2Å; F112-F135 AromaticContact CD2-CD2 3.69Å; F112-F135 HydrophobicContact CD2-CD2 3.69Å; F112-F135 AromaticContact CD2-CE2 3.3Å; F112-F135 HydrophobicContact CD2-CE2 3.3Å; F112-F135 HydrophobicContact CD2-CZ 4.06Å; F112-F135 HydrophobicContact CE1-CE2 4.43Å; F112-F135 HydrophobicContact CE2-CD2 4.22Å; F112-F135 AromaticContact CE2-CE2 3.89Å; F112-F135 HydrophobicContact CE2-CE2 3.89Å; F112-F135 HydrophobicContact CG-CD2 4.15Å; F112-F135 AromaticContact CG-CE2 3.33Å; F112-F135 HydrophobicContact CG-CE2 3.33Å; F112-F135 AromaticContact CG-CZ 3.65Å; F112-F135 HydrophobicContact CG-CZ 3.65Å; F112-F135 HydrophobicContact CZ-CE2 4.41Å; F112-R136 WeakPolarHBondContact CA-O 3.48Å; F112-Y137 HydrophobicContact CB-CD1 4.21Å
113M96.7Very high93.1Very high88 Ų8861 Ų6143%0.43334%0.34SS..EExtended strand (participates in β ladder)trans-120.9132.4163.558.9-178-69.300109.3V98 R136V98-M113 WeakPolarHBondContact O-CA 3.5Å; M113-R136 HydrophobicContact CG-CB 4.47Å; M113-R136 PolarHBondContact N-O 2.81Å; M113-R136 PolarHBondContact O-N 3.28Å
114Q98.1Very high92.5Very high0 Ų064.2 Ų64.20%036%0.359CS..EExtended strand (participates in β ladder)trans-131.4129177.3-170.1168.221.200110.5Y24 V98 F112 F116 D133 V134 F135Y24-Q114 PolarHBondContact OH-OE1 3.24Å; V98-Q114 HydrophobicContact CB-CB 4.42Å; V98-Q114 PolarHBondContact N-O 3.3Å; V98-Q114 PolarHBondContact O-N 2.75Å; F112-Q114 HydrophobicContact CD2-CB 4.01Å; F112-Q114 HydrophobicContact CE2-CB 3.93Å; Q114-F116 HydrophobicContact CB-CE2 4.33Å; Q114-F116 HydrophobicContact CG-CD2 4.16Å; Q114-F116 HydrophobicContact CG-CE1 4.24Å; Q114-F116 HydrophobicContact CG-CE2 3.62Å; Q114-F116 HydrophobicContact CG-CZ 3.7Å; Q114-D133 WeakPolarHBondContact CG-OD1 3.33Å; Q114-D133 PolarHBondContact NE2-OD1 2.83Å; Q114-D133 PolarHBondContact NE2-OD2 2.78Å; Q114-V134 WeakPolarHBondContact CA-O 3.49Å; Q114-F135 HydrophobicContact CB-CB 4.21Å; Q114-F135 HydrophobicContact CB-CD2 3.9Å; Q114-F135 HydrophobicContact CB-CG 4.44Å; Q114-F135 HydrophobicContact CG-CB 3.78Å; Q114-F135 HydrophobicContact CG-CD2 4.05Å; Q114-F135 HydrophobicContact CG-CG 4.4Å
115T98.3Very high91.9Very high45 Ų4567 Ų6728%0.27639%0.387SS..EExtended strand (participates in β ladder)trans-115.1118.6176.5-59.30000109.4V95 V96 V134V95-T115 HydrophobicContact CG2-CG2 4.08Å; V96-T115 WeakPolarHBondContact O-CA 3.48Å; T115-V134 PolarHBondContact N-O 3.02Å; T115-V134 PolarHBondContact O-N 3.34Å
116F98.6Very high91.5Very high0 Ų066.9 Ų66.90%039%0.386CS..EExtended strand (participates in β ladder)trans-103.4147.3171.9-56.8-89000111F19 Y23 V95 V96 V98 Q114 L118 V130 N132 D133F19-F116 HydrophobicContact CE1-CB 4.18Å; F19-F116 AromaticContact CE1-CD1 3.64Å; F19-F116 HydrophobicContact CE1-CD1 3.64Å; F19-F116 AromaticContact CE1-CD2 3.7Å; F19-F116 HydrophobicContact CE1-CD2 3.7Å; F19-F116 AromaticContact CE1-CE1 3.76Å; F19-F116 HydrophobicContact CE1-CE1 3.76Å; F19-F116 AromaticContact CE1-CE2 3.81Å; F19-F116 HydrophobicContact CE1-CE2 3.81Å; F19-F116 AromaticContact CE1-CG 3.58Å; F19-F116 HydrophobicContact CE1-CG 3.58Å; F19-F116 AromaticContact CE1-CZ 3.81Å; F19-F116 HydrophobicContact CE1-CZ 3.81Å; F19-F116 AromaticContact CZ-CD1 3.74Å; F19-F116 HydrophobicContact CZ-CD1 3.74Å; F19-F116 AromaticContact CZ-CE1 3.71Å; F19-F116 HydrophobicContact CZ-CE1 3.71Å; F19-F116 HydrophobicContact CZ-CG 4.17Å; F19-F116 HydrophobicContact CZ-CZ 4.11Å; Y23-F116 HydrophobicContact CD1-CE1 4.37Å; Y23-F116 AromaticContact CD1-CZ 3.79Å; Y23-F116 HydrophobicContact CD1-CZ 3.79Å; Y23-F116 HydrophobicContact CD2-CE1 4.3Å; Y23-F116 HydrophobicContact CD2-CZ 4.46Å; Y23-F116 HydrophobicContact CE1-CE1 4.13Å; Y23-F116 AromaticContact CE1-CZ 3.75Å; Y23-F116 HydrophobicContact CE1-CZ 3.75Å; Y23-F116 HydrophobicContact CE2-CE1 4.06Å; Y23-F116 HydrophobicContact CE2-CZ 4.42Å; Y23-F116 HydrophobicContact CG-CE1 4.46Å; Y23-F116 HydrophobicContact CG-CZ 4.16Å; Y23-F116 AromaticContact CZ-CE1 3.98Å; V95-F116 WeakPolarHBondContact CA-O 3.32Å; V96-F116 HydrophobicContact CB-CB 4.25Å; V96-F116 HydrophobicContact CB-CD2 4.43Å; V96-F116 PolarHBondContact N-O 3.5Å; V96-F116 PolarHBondContact O-N 2.92Å; V98-F116 HydrophobicContact CG2-CD2 4.13Å; V98-F116 HydrophobicContact CG2-CE2 3.91Å; Q114-F116 HydrophobicContact CB-CE2 4.33Å; Q114-F116 HydrophobicContact CG-CD2 4.16Å; Q114-F116 HydrophobicContact CG-CE1 4.24Å; Q114-F116 HydrophobicContact CG-CE2 3.62Å; Q114-F116 HydrophobicContact CG-CZ 3.7Å; F116-L118 HydrophobicContact CB-CD2 4.45Å; F116-V130 HydrophobicContact CD1-CG1 4.01Å; F116-N132 CarbonylContact C-O 3.54Å; F116-N132 VanDerWaalsContact CA-O 3.26Å; F116-N132 WeakPolarHBondContact CA-O 3.31Å; F116-D133 HydrophobicContact CD1-CB 4.03Å; F116-D133 HydrophobicContact CE1-CB 4.22Å
117V98.2Very high91.6Very high40 Ų4063.3 Ų63.324%0.24237%0.366CS..EExtended strand (participates in β ladder)trans-118.1110.9161.1-1790000107.6H131 N132V117-H131 WeakPolarHBondContact O-CA 3.25Å; V117-H131 PolarHBondContact O-N 3.11Å; V117-N132 HydrophobicContact CB-CB 3.96Å; V117-N132 WeakPolarHBondContact CB-OD1 3.44Å; V117-N132 HydrophobicContact CG2-CB 4.05Å; V117-N132 PolarHBondContact N-O 3.01Å; V117-N132 PolarHBondContact O-N 3.32Å
118L97.6Very high91.8Very high2 Ų260 Ų601%0.0135%0.35CS..EExtended strand (participates in β ladder)trans-87.7132.5174-52.9-179.6000109V15 F19 G93 V94 V96 F116 F128 Y129 V130V15-L118 HydrophobicContact CG1-CD1 4.04Å; F19-L118 HydrophobicContact CB-CD1 3.87Å; F19-L118 HydrophobicContact CD1-CD1 4.01Å; F19-L118 HydrophobicContact CD1-CD2 3.94Å; F19-L118 HydrophobicContact CD1-CG 4.47Å; F19-L118 HydrophobicContact CD2-CD1 4.42Å; F19-L118 HydrophobicContact CD2-CD2 3.93Å; F19-L118 HydrophobicContact CE1-CD2 3.98Å; F19-L118 HydrophobicContact CE2-CD2 3.96Å; F19-L118 HydrophobicContact CG-CD1 3.79Å; F19-L118 HydrophobicContact CG-CD2 3.92Å; F19-L118 HydrophobicContact CG-CG 4.49Å; F19-L118 HydrophobicContact CZ-CD2 4Å; G93-L118 CarbonylContact C-O 3.59Å; G93-L118 WeakPolarHBondContact CA-O 3.23Å; V94-L118 HydrophobicContact CB-CB 4.3Å; V94-L118 PolarHBondContact N-O 2.8Å; V94-L118 PolarHBondContact O-N 2.89Å; V96-L118 HydrophobicContact CG2-CD1 3.89Å; V96-L118 HydrophobicContact CG2-CG 4.21Å; F116-L118 HydrophobicContact CB-CD2 4.45Å; L118-F128 HydrophobicContact CB-CB 4.36Å; L118-F128 HydrophobicContact CB-CD1 4.2Å; L118-Y129 WeakPolarHBondContact CA-O 3.38Å; L118-V130 HydrophobicContact CD2-CG2 3.81Å
119A95.6Very high92Very high16 Ų1658.2 Ų58.213%0.13233%0.33CS..EExtended strand (participates in β ladder)trans-120.3145.6176.300000110.3E121 F128 Y129 H131A119-E121 PolarHBondContact O-N 3.06Å; A119-F128 VanDerWaalsContact O-CA 3.32Å; A119-F128 WeakPolarHBondContact O-CA 3.49Å; A119-Y129 HydrophobicContact CB-CD1 4.3Å; A119-Y129 HydrophobicContact CB-CE1 3.66Å; A119-Y129 HydrophobicContact CB-CE2 4.5Å; A119-Y129 PolarHBondContact N-O 3.13Å; A119-Y129 VanDerWaalsContact O-CD1 3.26Å; A119-Y129 WeakPolarHBondContact O-CD1 3.38Å; A119-Y129 PolarHBondContact O-N 2.99Å; A119-H131 HydrophobicContact CB-CB 3.99Å
120P93.6Very high92.1Very high47 Ų4755.3 Ų55.331%0.30532%0.316SS..EExtended strand (participates in β ladder)trans-65.4133.4177.727.2-35000110.9E92 G122 K127E92-P120 HydrophobicContact CB-CG 4.4Å; P120-G122 PolarHBondContact O-N 2.62Å; P120-G122 VanDerWaalsContact O-N 3.11Å; P120-K127 WeakPolarHBondContact CA-O 3.27Å
121E88.6Confident92.3Very high63 Ų6354.6 Ų54.629%0.29432%0.316SS..  trans-81.987.5171-167.5-177.3136.700108.2A119 T123 V124 K127 Y129A119-E121 PolarHBondContact O-N 3.06Å; E121-T123 PolarHBondContact O-N 3.03Å; E121-V124 PolarHBondContact O-N 3.26Å; E121-K127 HydrophobicContact CB-CB 4.33Å; E121-K127 HydrophobicContact CB-CD 4.25Å; E121-K127 HydrophobicContact CB-CG 4.21Å; E121-K127 HydrophobicContact CG-CD 4.48Å; E121-K127 PolarHBondContact N-O 2.99Å; E121-K127 IonicContact OE1-NZ 3.18Å; E121-K127 PolarHBondContact OE1-NZ 3.16Å; E121-K127 WeakPolarHBondContact OE2-CD 3.11Å; E121-K127 WeakPolarHBondContact OE2-CE 3.49Å; E121-K127 IonicContact OE2-NZ 3.21Å; E121-K127 PolarHBondContact OE2-NZ 2.97Å; E121-Y129 HydrophobicContact CB-CD1 4.22Å
122G78.1Confident92.4Very high81 Ų8151 Ų5184%0.83530%0.302SS*.THydrogen-bonded Turntrans-60.714.6-161.600000119.3P120P120-G122 PolarHBondContact O-N 2.62Å; P120-G122 VanDerWaalsContact O-N 3.11Å
123T76.9Confident92.4Very high126 Ų12650.6 Ų50.677%0.77330%0.301SS*.THydrogen-bonded Turntrans-103.3-14.5166.550.60000113.3E121E121-T123 PolarHBondContact O-N 3.03Å
124V82.7Confident92.5Very high76 Ų7649.4 Ų49.446%0.46130%0.298SS..SBendtrans-134.6123.3-174.9-175.30000110.9E121 K127E121-V124 PolarHBondContact O-N 3.26Å; V124-K127 HydrophobicContact CB-CB 3.77Å; V124-K127 HydrophobicContact CB-CD 3.96Å; V124-K127 HydrophobicContact CG1-CB 3.84Å; V124-K127 HydrophobicContact CG1-CD 4.19Å; V124-K127 HydrophobicContact CG2-CD 4.22Å; V124-K127 PolarHBondContact O-N 3.03Å
125A81.4Confident92.4Very high92 Ų9249.4 Ų49.476%0.7630%0.298SS*.THydrogen-bonded Turntrans-60.1139.817800000111.9K127A125-K127 PolarHBondContact O-N 2.82Å
126N82.5Confident92.2Very high70 Ų7049.6 Ų49.637%0.37429%0.294SS..THydrogen-bonded Turntrans56.810.7-177.9-60.1-27.3000115.9F128N126-F128 WeakPolarHBondContact O-CD2 3.33Å
127K90.8Very high92Very high93 Ų9350.6 Ų50.640%0.40430%0.298SS..  trans-90.8133.4172.9-165.6-178.5-177.9-153.40110.4P120 E121 V124 A125P120-K127 WeakPolarHBondContact CA-O 3.27Å; E121-K127 HydrophobicContact CB-CB 4.33Å; E121-K127 HydrophobicContact CB-CD 4.25Å; E121-K127 HydrophobicContact CB-CG 4.21Å; E121-K127 HydrophobicContact CG-CD 4.48Å; E121-K127 PolarHBondContact N-O 2.99Å; E121-K127 IonicContact OE1-NZ 3.18Å; E121-K127 PolarHBondContact OE1-NZ 3.16Å; E121-K127 WeakPolarHBondContact OE2-CD 3.11Å; E121-K127 WeakPolarHBondContact OE2-CE 3.49Å; E121-K127 IonicContact OE2-NZ 3.21Å; E121-K127 PolarHBondContact OE2-NZ 2.97Å; V124-K127 HydrophobicContact CB-CB 3.77Å; V124-K127 HydrophobicContact CB-CD 3.96Å; V124-K127 HydrophobicContact CG1-CB 3.84Å; V124-K127 HydrophobicContact CG1-CD 4.19Å; V124-K127 HydrophobicContact CG2-CD 4.22Å; V124-K127 PolarHBondContact O-N 3.03Å; A125-K127 PolarHBondContact O-N 2.82Å
128F94.8Very high91.7Very high50 Ų5053 Ų5322%0.21931%0.307CS..EExtended strand (participates in β ladder)trans-124.5151.5179.3-66.7-93.4000111V15 V94 L118 A119 N126V15-F128 HydrophobicContact CG1-CD2 3.96Å; V15-F128 HydrophobicContact CG1-CE2 3.94Å; V15-F128 HydrophobicContact CG1-CG 4.39Å; V15-F128 HydrophobicContact CG1-CZ 4.34Å; V15-F128 HydrophobicContact CG2-CE2 4.18Å; V94-F128 HydrophobicContact CG2-CE1 4.43Å; L118-F128 HydrophobicContact CB-CB 4.36Å; L118-F128 HydrophobicContact CB-CD1 4.2Å; A119-F128 VanDerWaalsContact O-CA 3.32Å; A119-F128 WeakPolarHBondContact O-CA 3.49Å; N126-F128 WeakPolarHBondContact O-CD2 3.33Å
129Y96.6Very high91.2Very high62 Ų6256.2 Ų56.224%0.24332%0.323CS..EExtended strand (participates in β ladder)trans-125.2154.7166.974.9-81.2000110F37 L118 A119 E121 H131F37-Y129 WeakPolarHBondContact O-CA 3.48Å; L118-Y129 WeakPolarHBondContact CA-O 3.38Å; A119-Y129 HydrophobicContact CB-CD1 4.3Å; A119-Y129 HydrophobicContact CB-CE1 3.66Å; A119-Y129 HydrophobicContact CB-CE2 4.5Å; A119-Y129 PolarHBondContact N-O 3.13Å; A119-Y129 VanDerWaalsContact O-CD1 3.26Å; A119-Y129 WeakPolarHBondContact O-CD1 3.38Å; A119-Y129 PolarHBondContact O-N 2.99Å; E121-Y129 HydrophobicContact CB-CD1 4.22Å; Y129-H131 HydrophobicContact CE2-CB 3.99Å; Y129-H131 PolarHBondContact O-N 2.99Å
130V98.2Very high90.7Very high1 Ų157.6 Ų57.61%0.00633%0.327CS..EExtended strand (participates in β ladder)trans-75.5108.8175.8-179.90000108.4F19 F37 Y38 S42 F116 L118 N132 D133F19-V130 HydrophobicContact CD2-CG2 4.48Å; F19-V130 HydrophobicContact CE1-CG2 4.49Å; F19-V130 HydrophobicContact CE2-CG2 3.4Å; F19-V130 HydrophobicContact CZ-CG2 3.41Å; F19-V130 VanDerWaalsContact CZ-CG2 3.41Å; F37-V130 HydrophobicContact CB-CG2 4Å; F37-V130 PolarHBondContact O-N 2.71Å; Y38-V130 HydrophobicContact CD1-CB 3.87Å; Y38-V130 HydrophobicContact CD1-CG1 3.87Å; Y38-V130 HydrophobicContact CE1-CB 3.93Å; Y38-V130 HydrophobicContact CE1-CG1 3.55Å; S42-V130 VanDerWaalsContact CB-O 3.24Å; S42-V130 WeakPolarHBondContact CB-O 3.46Å; S42-V130 PolarHBondContact OG-O 3.24Å; F116-V130 HydrophobicContact CD1-CG1 4.01Å; L118-V130 HydrophobicContact CD2-CG2 3.81Å; V130-N132 WeakPolarHBondContact CG1-O 3.33Å; V130-D133 HydrophobicContact CG1-CB 3.97Å
131H97.6Very high90.1Very high63 Ų6359.1 Ų59.129%0.29234%0.335SS..EExtended strand (participates in β ladder)trans-83.5-41.1174.6-177.342.4000111.6N41 S42 S43 V117 A119 Y129N41-H131 PolarHBondContact O-CE1 2.9Å; N41-H131 VanDerWaalsContact O-CE1 3.27Å; N41-H131 PolarHBondContact O-ND1 3.36Å; S42-H131 CarbonylContact C-O 3.5Å; S42-H131 WeakPolarHBondContact CA-O 3.25Å; S43-H131 PolarHBondContact N-O 2.7Å; V117-H131 WeakPolarHBondContact O-CA 3.25Å; V117-H131 PolarHBondContact O-N 3.11Å; A119-H131 HydrophobicContact CB-CB 3.99Å; Y129-H131 HydrophobicContact CE2-CB 3.99Å; Y129-H131 PolarHBondContact O-N 2.99Å
132N98.1Very high89.7Confident47 Ų4762.2 Ų62.225%0.25135%0.348SS..EExtended strand (participates in β ladder)trans-128.7138172.2-50.1104.2000109.5S43 F116 V117 V130S43-N132 PolarHBondContact OG-ND2 3.15Å; F116-N132 CarbonylContact C-O 3.54Å; F116-N132 VanDerWaalsContact CA-O 3.26Å; F116-N132 WeakPolarHBondContact CA-O 3.31Å; V117-N132 HydrophobicContact CB-CB 3.96Å; V117-N132 WeakPolarHBondContact CB-OD1 3.44Å; V117-N132 HydrophobicContact CG2-CB 4.05Å; V117-N132 PolarHBondContact N-O 3.01Å; V117-N132 PolarHBondContact O-N 3.32Å; V130-N132 WeakPolarHBondContact CG1-O 3.33Å
133D98.2Very high89.1Confident0 Ų060.3 Ų60.30%033%0.329CS..EExtended strand (participates in β ladder)trans-128.8124.1163.8-178.83.7000108.6Y23 Y38 S43 Y44 V45 Q114 F116 V130Y23-D133 PolarHBondContact OH-OD2 3.31Å; Y38-D133 HydrophobicContact CE1-CB 3.97Å; Y38-D133 PolarHBondContact OH-OD2 3.43Å; S43-D133 PolarHBondContact O-N 3.45Å; Y44-D133 WeakPolarHBondContact CA-O 3.42Å; Y44-D133 HydrophobicContact CD2-CB 3.97Å; Y44-D133 WeakPolarHBondContact CD2-OD2 3.49Å; Y44-D133 VanDerWaalsContact CE2-OD2 3.31Å; Y44-D133 WeakPolarHBondContact CE2-OD2 3.3Å; V45-D133 PolarHBondContact N-O 3.14Å; Q114-D133 WeakPolarHBondContact CG-OD1 3.33Å; Q114-D133 PolarHBondContact NE2-OD1 2.83Å; Q114-D133 PolarHBondContact NE2-OD2 2.78Å; F116-D133 HydrophobicContact CD1-CB 4.03Å; F116-D133 HydrophobicContact CE1-CB 4.22Å; V130-D133 HydrophobicContact CG1-CB 3.97Å
134V97.1Very high87.7Confident63 Ų6361.2 Ų61.238%0.38233%0.329SS..EExtended strand (participates in β ladder)trans-130.696.8175.1-175.20000109.2V45 Q114 T115V45-V134 HydrophobicContact CB-CG1 4.44Å; Q114-V134 WeakPolarHBondContact CA-O 3.49Å; T115-V134 PolarHBondContact N-O 3.02Å; T115-V134 PolarHBondContact O-N 3.34Å
135F96.9Very high86Confident0 Ų063.2 Ų63.20%035%0.346CS..EExtended strand (participates in β ladder)trans-100.5132.7172.5177.5-72.8000110.8V45 H46 G47 L102 F112 Q114 Y137V45-F135 PolarHBondContact O-N 3.49Å; H46-F135 HydrophobicContact CB-CB 4.38Å; H46-F135 AromaticContact CD2-CD1 3.99Å; H46-F135 AromaticContact CE1-CD1 3.51Å; H46-F135 AromaticContact CE1-CD2 3.5Å; H46-F135 VanDerWaalsContact CE1-CD2 3.5Å; H46-F135 WeakPolarHBondContact CE1-CD2 3.33Å; H46-F135 AromaticContact CE1-CE1 3.68Å; H46-F135 AromaticContact CE1-CE2 3.64Å; H46-F135 AromaticContact CE1-CG 3.44Å; H46-F135 VanDerWaalsContact CE1-CG 3.44Å; H46-F135 WeakPolarHBondContact CE1-CG 3.5Å; H46-F135 AromaticContact CE1-CZ 3.74Å; H46-F135 AromaticContact CG-CD1 3.85Å; H46-F135 WeakPolarHBondContact ND1-CB 3.29Å; H46-F135 AromaticContact ND1-CD1 3.56Å; H46-F135 AromaticContact ND1-CD2 3.73Å; H46-F135 AromaticContact ND1-CG 3.32Å; H46-F135 VanDerWaalsContact ND1-CG 3.32Å; H46-F135 WeakPolarHBondContact ND1-CG 3.08Å; H46-F135 AromaticContact NE2-CD1 3.79Å; H46-F135 AromaticContact NE2-CE1 3.7Å; H46-F135 AromaticContact NE2-CZ 3.96Å; G47-F135 PolarHBondContact N-O 3.37Å; L102-F135 HydrophobicContact CD1-CE2 4Å; L102-F135 HydrophobicContact CD1-CZ 4.2Å; F112-F135 HydrophobicContact CB-CD2 4.39Å; F112-F135 HydrophobicContact CB-CE1 4.09Å; F112-F135 HydrophobicContact CB-CE2 3.61Å; F112-F135 HydrophobicContact CB-CZ 3.42Å; F112-F135 VanDerWaalsContact CB-CZ 3.42Å; F112-F135 AromaticContact CD1-CE2 3.93Å; F112-F135 HydrophobicContact CD1-CE2 3.93Å; F112-F135 HydrophobicContact CD1-CZ 4.2Å; F112-F135 AromaticContact CD2-CD2 3.69Å; F112-F135 HydrophobicContact CD2-CD2 3.69Å; F112-F135 AromaticContact CD2-CE2 3.3Å; F112-F135 HydrophobicContact CD2-CE2 3.3Å; F112-F135 HydrophobicContact CD2-CZ 4.06Å; F112-F135 HydrophobicContact CE1-CE2 4.43Å; F112-F135 HydrophobicContact CE2-CD2 4.22Å; F112-F135 AromaticContact CE2-CE2 3.89Å; F112-F135 HydrophobicContact CE2-CE2 3.89Å; F112-F135 HydrophobicContact CG-CD2 4.15Å; F112-F135 AromaticContact CG-CE2 3.33Å; F112-F135 HydrophobicContact CG-CE2 3.33Å; F112-F135 AromaticContact CG-CZ 3.65Å; F112-F135 HydrophobicContact CG-CZ 3.65Å; F112-F135 HydrophobicContact CZ-CE2 4.41Å; Q114-F135 HydrophobicContact CB-CB 4.21Å; Q114-F135 HydrophobicContact CB-CD2 3.9Å; Q114-F135 HydrophobicContact CB-CG 4.44Å; Q114-F135 HydrophobicContact CG-CB 3.78Å; Q114-F135 HydrophobicContact CG-CD2 4.05Å; Q114-F135 HydrophobicContact CG-CG 4.4Å; F135-Y137 AromaticContact CE1-CD1 3.89Å; F135-Y137 HydrophobicContact CE1-CD1 3.89Å; F135-Y137 AromaticContact CE1-CD2 3.64Å; F135-Y137 HydrophobicContact CE1-CD2 3.64Å; F135-Y137 AromaticContact CE1-CE1 3.78Å; F135-Y137 HydrophobicContact CE1-CE1 3.78Å; F135-Y137 AromaticContact CE1-CE2 3.52Å; F135-Y137 HydrophobicContact CE1-CE2 3.52Å; F135-Y137 AromaticContact CE1-CG 3.83Å; F135-Y137 HydrophobicContact CE1-CG 3.83Å; F135-Y137 AromaticContact CE1-CZ 3.59Å; F135-Y137 AromaticContact CZ-CD1 3.92Å; F135-Y137 HydrophobicContact CZ-CD1 3.92Å; F135-Y137 HydrophobicContact CZ-CD2 4.44Å; F135-Y137 AromaticContact CZ-CE1 3.61Å; F135-Y137 HydrophobicContact CZ-CE1 3.61Å; F135-Y137 HydrophobicContact CZ-CE2 4.17Å; F135-Y137 HydrophobicContact CZ-CG 4.34Å; F135-Y137 AromaticContact CZ-CZ 3.74Å
136R93.9Very high84.3Confident50 Ų5065.9 Ų65.919%0.18935%0.347CS..EExtended strand (participates in β ladder)trans-135.1137.2168.6-67.7-65.3-175.9-159.7-3109.7G47 L56 F112 M113 V141G47-R136 PolarHBondContact O-NH1 2.93Å; L56-R136 PolarHBondContact O-NH2 3.05Å; F112-R136 WeakPolarHBondContact CA-O 3.48Å; M113-R136 HydrophobicContact CG-CB 4.47Å; M113-R136 PolarHBondContact N-O 2.81Å; M113-R136 PolarHBondContact O-N 3.28Å; R136-V141 HydrophobicContact CB-CG2 4.19Å
137Y93.9Very high82.5Confident21 Ų2166 Ų668%0.08235%0.354CS..EExtended strand (participates in β ladder)trans-72.9156.5164.7-64.9-80000110.2L102 R110 K111 F112 F135 D139 E140 V141L102-Y137 HydrophobicContact CD2-CE1 4.39Å; L102-Y137 WeakPolarHBondContact CD2-OH 3.36Å; R110-Y137 HydrophobicContact CB-CD1 3.48Å; R110-Y137 VanDerWaalsContact CB-CD1 3.48Å; R110-Y137 HydrophobicContact CB-CE1 3.69Å; R110-Y137 HydrophobicContact CB-CG 4.46Å; R110-Y137 HydrophobicContact CG-CD1 4.48Å; R110-Y137 VanDerWaalsContact CZ-CD2 3.47Å; R110-Y137 VanDerWaalsContact CZ-CG 3.49Å; R110-Y137 VanDerWaalsContact NH1-CE2 3.3Å; R110-Y137 VanDerWaalsContact NH2-CD2 3.32Å; K111-Y137 CarbonylContact O-C 3.53Å; K111-Y137 WeakPolarHBondContact O-CA 3.41Å; F112-Y137 HydrophobicContact CB-CD1 4.21Å; F135-Y137 AromaticContact CE1-CD1 3.89Å; F135-Y137 HydrophobicContact CE1-CD1 3.89Å; F135-Y137 AromaticContact CE1-CD2 3.64Å; F135-Y137 HydrophobicContact CE1-CD2 3.64Å; F135-Y137 AromaticContact CE1-CE1 3.78Å; F135-Y137 HydrophobicContact CE1-CE1 3.78Å; F135-Y137 AromaticContact CE1-CE2 3.52Å; F135-Y137 HydrophobicContact CE1-CE2 3.52Å; F135-Y137 AromaticContact CE1-CG 3.83Å; F135-Y137 HydrophobicContact CE1-CG 3.83Å; F135-Y137 AromaticContact CE1-CZ 3.59Å; F135-Y137 AromaticContact CZ-CD1 3.92Å; F135-Y137 HydrophobicContact CZ-CD1 3.92Å; F135-Y137 HydrophobicContact CZ-CD2 4.44Å; F135-Y137 AromaticContact CZ-CE1 3.61Å; F135-Y137 HydrophobicContact CZ-CE1 3.61Å; F135-Y137 HydrophobicContact CZ-CE2 4.17Å; F135-Y137 HydrophobicContact CZ-CG 4.34Å; F135-Y137 AromaticContact CZ-CZ 3.74Å; Y137-D139 WeakPolarHBondContact CB-OD1 3.36Å; Y137-E140 VanDerWaalsContact CD2-OE1 3.27Å; Y137-E140 WeakPolarHBondContact CD2-OE1 3.21Å; Y137-V141 WeakPolarHBondContact O-CG2 3.38Å
138Q91.9Very high80.4Confident91 Ų9170.2 Ų70.243%0.42538%0.375SS..SBendtrans-75.7-41.6-179.7-169.2178.8-10.700111.7K111 E140 V141 F142K111-Q138 HydrophobicContact CB-CB 3.98Å; K111-Q138 VanDerWaalsContact CD-OE1 3.23Å; K111-Q138 PolarHBondContact O-N 2.79Å; Q138-E140 PolarHBondContact O-N 2.71Å; Q138-V141 PolarHBondContact O-N 2.84Å; Q138-V141 VanDerWaalsContact O-N 3.09Å; Q138-F142 HydrophobicContact CG-CD2 3.59Å; Q138-F142 HydrophobicContact CG-CE2 4.16Å; Q138-F142 HydrophobicContact CG-CG 4.49Å; Q138-F142 WeakPolarHBondContact O-CD2 3.4Å; Q138-F142 PolarHBondContact O-N 2.87Å
139D88.4Confident77.7Confident68 Ų6873 Ų7336%0.36440%0.398SS..Hα-helixtrans-57.6-42.9176.645.133.2000112.7R110 Y137 V141 F142 G143R110-D139 IonicContact CZ-OD1 2.61Å; R110-D139 IonicContact CZ-OD2 2.73Å; R110-D139 IonicContact NE-OD1 2.56Å; R110-D139 PolarHBondContact NE-OD1 2.87Å; R110-D139 IonicContact NE-OD2 2.67Å; R110-D139 PolarHBondContact NE-OD2 2.67Å; R110-D139 IonicContact NH2-OD1 3.48Å; R110-D139 PolarHBondContact NH2-OD1 3.29Å; R110-D139 IonicContact NH2-OD2 3.6Å; Y137-D139 WeakPolarHBondContact CB-OD1 3.36Å; D139-V141 PolarHBondContact O-N 2.83Å; D139-F142 PolarHBondContact O-N 2.74Å; D139-G143 VanDerWaalsContact O-CA 3.26Å; D139-G143 WeakPolarHBondContact O-CA 3.5Å; D139-G143 PolarHBondContact O-N 2.93Å
140E85.1Confident75.4Confident45 Ų4575.3 Ų75.321%0.2142%0.421CS..Hα-helixtrans-63.1-11.2175.3-76.7168.2-165.600115.1G47 G48 R110 Y137 Q138G47-E140 WeakPolarHBondContact CA-OE2 3.26Å; G48-E140 VanDerWaalsContact N-CD 3.26Å; G48-E140 PolarHBondContact N-OE1 3.44Å; G48-E140 PolarHBondContact N-OE2 3.42Å; R110-E140 IonicContact CZ-OE1 2.73Å; R110-E140 IonicContact NH1-OE1 2.87Å; R110-E140 VanDerWaalsContact NH2-CD 3.34Å; R110-E140 IonicContact NH2-OE1 3.69Å; R110-E140 PolarHBondContact NH2-OE1 2.85Å; Y137-E140 VanDerWaalsContact CD2-OE1 3.27Å; Y137-E140 WeakPolarHBondContact CD2-OE1 3.21Å; Q138-E140 PolarHBondContact O-N 2.71Å
141V81.2Confident72.7Confident79 Ų7984.4 Ų84.448%0.47946%0.463SS..Hα-helixtrans-118.2-25.5-176.3179.30000112.4R136 Y137 Q138 D139R136-V141 HydrophobicContact CB-CG2 4.19Å; Y137-V141 WeakPolarHBondContact O-CG2 3.38Å; Q138-V141 PolarHBondContact O-N 2.84Å; Q138-V141 VanDerWaalsContact O-N 3.09Å; D139-V141 PolarHBondContact O-N 2.83Å
142F79.9Confident70Confident129 Ų12989.7 Ų89.757%0.56649%0.488SS*.Hα-helixtrans-128.112.9-173.9-59.9-81.6000113.6Q138 D139Q138-F142 HydrophobicContact CG-CD2 3.59Å; Q138-F142 HydrophobicContact CG-CE2 4.16Å; Q138-F142 HydrophobicContact CG-CG 4.49Å; Q138-F142 WeakPolarHBondContact O-CD2 3.4Å; Q138-F142 PolarHBondContact O-N 2.87Å; D139-F142 PolarHBondContact O-N 2.74Å
143G64.3Low67.2Low41 Ų4192.3 Ų92.342%0.42351%0.51SS..THydrogen-bonded Turntrans-62.4135.7-171.100000115.4D139 S145D139-G143 VanDerWaalsContact O-CA 3.26Å; D139-G143 WeakPolarHBondContact O-CA 3.5Å; D139-G143 PolarHBondContact O-N 2.93Å; G143-S145 PolarHBondContact O-N 2.96Å
144D48.3Very low64.6Low145 Ų145101.2 Ų101.278%0.77555%0.552SS**THydrogen-bonded Turntrans54.619.1156.3-53.7-37.8000118.9S147D144-S147 PolarHBondContact OD1-OG 2.94Å
145S46.2Very low61.8Low117 Ų117104.8 Ų104.882%0.81857%0.569SS**SBendtrans-111.9-8.1160.6-172.70000113.7G143G143-S145 PolarHBondContact O-N 2.96Å
146D46.3Very low59Low148 Ų148114.5 Ų114.579%0.79161%0.614SS**SBendtrans-119.59.6173.8-99.7-22.9000111E148D146-E148 PolarHBondContact O-N 2.88Å
147S44.5Very low56.5Low74 Ų74117.8 Ų117.852%0.51764%0.639SS.*  trans-77.697.7172.5-61.10000108.4D144D144-S147 PolarHBondContact OD1-OG 2.94Å
148E46.1Very low53.9Low180 Ų180126.1 Ų126.184%0.84168%0.679SS**PPolyproline II helixtrans-51.2136.4162.3-69.3179.4137.100108.3D146D146-E148 PolarHBondContact O-N 2.88Å
149P40.1Very low51.1Low109 Ų109131.1 Ų131.171%0.70870%0.702SS**PPolyproline II helixtrans-59.3141.2176.827-33.8000108.6E151P149-E151 PolarHBondContact O-N 2.71Å
150P46.7Very low48.8Very low111 Ų111134.9 Ų134.972%0.72172%0.722SS**PPolyproline II helixtrans-58.2127.8167.227.5-32.8000107.5E152P150-E152 PolarHBondContact O-N 3.46Å; P150-E152 VanDerWaalsContact O-N 3.08Å
151E42.6Very low46.3Very low191 Ų191141.7 Ų141.789%0.89375%0.754SS**  trans-64.5113.4167.4-66.3-162.7147.800107P149 S153P149-E151 PolarHBondContact O-N 2.71Å; E151-S153 PolarHBondContact O-N 2.9Å
152E40.1Very low44.1Very low175 Ų175147.9 Ų147.982%0.81877%0.768SS**  trans-68.2103.2175.3-67.2-174.9144.300107.3P150 E154P150-E152 PolarHBondContact O-N 3.46Å; P150-E152 VanDerWaalsContact O-N 3.08Å; E152-E154 PolarHBondContact O-N 3.27Å
153S39.1Very low41.9Very low101 Ų101147.5 Ų147.571%0.70678%0.776SS**  trans-69.395.5175.154.80000109.2E151 D155E151-S153 PolarHBondContact O-N 2.9Å; S153-D155 PolarHBondContact O-N 2.93Å
154E43.5Very low40.8Very low188 Ų188151.3 Ų151.388%0.87979%0.793SS**  trans-67.967171.6-66.3-173.9166.700111.2E152E152-E154 PolarHBondContact O-N 3.27Å
155D38.8Very low40Very low138 Ų138149.6 Ų149.674%0.73879%0.793SS**  trans-121.560174.4-82.9-57.7000110S153S153-D155 PolarHBondContact O-N 2.93Å
156E38.2Very low40Very low204 Ų204150 Ų15095%0.95379%0.792SS**  trans-88130.1157.4-80.6-164.8135.900109.3
157V41.1Very low39.2Very low119 Ų119149.7 Ų149.772%0.72179%0.791SS**  trans-117.2134-174.1-74.70000112.1
158E39.2Very low38.6Very low196 Ų196152.7 Ų152.792%0.91681%0.806SS**  trans65.5147166.3-60.6-177133.100114.3
159E33.7Very low38Very low195 Ų195148 Ų14891%0.91180%0.798SS**  cis-141.4172.447.6-147.9177.8141.900113.3
160L39.2Very low37.9Very low147 Ų147148.9 Ų148.977%0.7780%0.803SS**  trans-136.7106.3-169.2-169.7164.7000111.8
161E33.6Very low37.1Very low189 Ų189152.8 Ų152.888%0.88381%0.812SS**  trans-120.7150.5168.6-107.9-161.1154.600113.8
162R35Very low36.6Very low209 Ų209152.3 Ų152.379%0.78981%0.81SS**  trans-122.6151.9174.5-127.5-176.9-174.199.7-1.3105
163V34.1Very low36.1Very low121 Ų121149 Ų14973%0.73381%0.807SS**  cis-174.8-175.447.5-117.60000106.7
164P41.1Very low35.8Very low120 Ų120148.5 Ų148.578%0.77981%0.808SS**  cis-121-166.7-43.833.9-15000111.5
165S31.6Very low36Very low110 Ų110144.4 Ų144.477%0.76980%0.798SS**  trans-64.1166.9-174.7-38.20000116.3
166P45.6Very low35.6Very low124 Ų124147.4 Ų147.481%0.80580%0.8SS**  -139.9139.790.938.2-25.5000117.4
167D28.9Very low35.3Very low142 Ų142147.8 Ų147.876%0.75980%0.795SS**  trans32.6118.3133-157.5-0.7000121.9
168V32.3Very low34.7Very low138 Ų138149 Ų14984%0.83680%0.797SS**  -152.1126.8128.2168.30000110.4
169A34.7Very low35.5Very low80 Ų80144.5 Ų144.566%0.66179%0.785SS**  trans-4.7145.5161.200000122.1
170P36.9Very low35.4Very low128 Ų128141.1 Ų141.183%0.83178%0.778SS**  -131.1131.9124.436.2-26.6000113.8
171E30.4Very low35.2Very low193 Ų193138.4 Ų138.490%0.90278%0.776SS**  trans-137.3136.7160.8-80.3-153157.100110.6
172E31.6Very low34.8Very low181 Ų181135.5 Ų135.585%0.84678%0.775SS**  trans-151.6123.6136.5-151.8177-163.500112.2
173S30.7Very low34.7Very low107 Ų107130.6 Ų130.675%0.74877%0.773SS**  trans60.3115.4158.562.40000121.2
174A31Very low34.3Very low89 Ų89132.9 Ų132.974%0.73678%0.776SS**  trans-70.5-167.6160.200000111.4
175P48.3Very low34.5Very low103 Ų103132.1 Ų132.167%0.66977%0.771SS**  cis-141.7178.16.633.3-9000117
176Y30.4Very low34.3Very low200 Ų200131.7 Ų131.778%0.78477%0.774SS**  178.3138.4114.1-112-105.3000113.9
177Y31.8Very low33.7Very low213 Ų213130.2 Ų130.284%0.83577%0.772SS**  trans60.1120.8157.7-98-113.7000123.6
178N28.1Very low34.4Very low145 Ų145129.9 Ų129.978%0.77578%0.778SS**  trans-128.3-176.8155.5-147.8-0.8000104.5
179P56.4Low34.2Very low101 Ų101126 Ų12666%0.65677%0.765SS**  cis-135.3-167.6-14.344.3-27.3000113.6
180T31.6Very low34.1Very low124 Ų124129.4 Ų129.476%0.76177%0.773SS**  trans167.5101.6138-70.30000107.4
181A35Very low33.9Very low90 Ų90131.4 Ų131.474%0.74477%0.771SS**  67.3146.983.800000113.8
182C26.1Very low34.2Very low128 Ų128130.7 Ų130.787%0.86577%0.767SS**  cis-162.3-178.70.1-132.70000108.4
183S31.1Very low34.5Very low105 Ų105130.4 Ų130.473%0.73477%0.766SS**  cis-158.7179.93.161.40000112.5
184E26.8Very low34.6Very low169 Ų169132.7 Ų132.779%0.7977%0.765SS**  trans-53179152.8-105.9-168.4102.900115.3
185P45.7Very low34.7Very low104 Ų104131.7 Ų131.768%0.67576%0.757SS**  cis-139.6179.56.534.9-13.1000118.8
186A27.5Very low33.9Very low101 Ų101131.1 Ų131.184%0.83576%0.761SS**  trans82.1148.1145.700000122.9
187A32.1Very low33.9Very low94 Ų94126.4 Ų126.478%0.77776%0.763SS**  trans-116.3-169.8177.100000109.3
188P44.1Very low34.2Very low134 Ų134120.7 Ų120.787%0.8775%0.754SS**  cis-139.8-169.28.745.4-26.6000116
189G28.5Very low34.9Very low56 Ų56119.2 Ų119.258%0.57775%0.753SS**  trans133.5118.515400000116.2
190D32.2Very low33.7Very low152 Ų152122.1 Ų122.181%0.81376%0.758SS**  trans53.2147.5135.4-40.4-34.7000119.9
191E33.3Very low34.7Very low171 Ų171120.7 Ų120.780%0.79975%0.751SS**  cis-157.5-172.64.4-130.2160.8-160.400110.1
192E36.1Very low34.6Very low177 Ų177124.5 Ų124.583%0.82775%0.753SS**  trans-33.5163.9177.6-64.1165.616200118.8
193E36.8Very low34.9Very low176 Ų176126.5 Ų126.582%0.82275%0.749SS**  cis-159.7179.311.7-132.6-171.3-176.300105.7
194E33.3Very low35Very low154 Ų154128.8 Ų128.872%0.7275%0.748SS**  cis-169.1156.3-15.7-129-81.195.100102.7
195A32.5Very low35.2Very low69 Ų69125.2 Ų125.257%0.5775%0.747SS**  cis-147.7174.9700000107.6
196A31.6Very low34.6Very low90 Ų90127.5 Ų127.574%0.74475%0.749SS**  cis74.9128.719.900000116.9
197A32.2Very low34.8Very low101 Ų101129.7 Ų129.784%0.83574%0.74SS**  cis-162-179.4-14.300000112.2
198S36.3Very low34.7Very low93 Ų93133.8 Ų133.865%0.6574%0.743SS**  trans-68.3175168.5-142.60000112.6
199P44.2Very low34.1Very low115 Ų115132.5 Ų132.575%0.74774%0.744SS**  -146.9161.565.943-23.9000115.4
200E31.5Very low34.2Very low162 Ų162138.5 Ų138.576%0.75776%0.757SS**  58.7151.952.3-84.7177.4178.200115.9
201P51.3Low34.1Very low94 Ų94137.2 Ų137.261%0.6175%0.754SS**  cis-142.5-174.4-21.439.3-19.5000115.9
202E33.8Very low34Very low170 Ų170133 Ų13379%0.79475%0.749SS**  trans46.5134.5140.8-73.3151.4-136.200125.2
203H31.7Very low33.6Very low169 Ų169133.6 Ų133.678%0.78275%0.751SS**  -161.3170.799.6-142.7-80.4000113.2
204E32.7Very low33.2Very low154 Ų154130.8 Ų130.872%0.7275%0.746SS**  trans-100149.3-160.3-46.7168.6107.900118.2
205A32.5Very low33.1Very low93 Ų93132.2 Ų132.277%0.76975%0.752SS**  75156.512500000126.6
206E32.8Very low33.1Very low152 Ų152136.8 Ų136.871%0.7177%0.766SS**  trans91.8111.4154.6-61.9-138.4130.700123.5
207K31.1Very low32.9Very low147 Ų147142.6 Ų142.664%0.63978%0.775SS**  trans90.9121.6131.8-74.8170.6-178.9141.50123.2
208E31.1Very low32.8Very low181 Ų181142.7 Ų142.785%0.84678%0.776SS**  trans48128.7132.2-61177.5153.400120.6
209A30.3Very low32.6Very low107 Ų107147.2 Ų147.288%0.88479%0.786SS**  trans-145.8127.3171.900000112.5
210E32.1Very low31.8Very low182 Ų182147 Ų14785%0.8578%0.783SS**  trans-139.2136.6158.7-141.8-154.1145.800110.1
211V29.5Very low31.7Very low125 Ų125147 Ų14776%0.75879%0.785SS**  trans48.8114.2165.9-146.50000120.2
212A29.8Very low30.7Very low83 Ų83149.6 Ų149.669%0.68679%0.793SS**  151.7123.6114.700000115.6
213E28Very low30.4Very low188 Ų188149.3 Ų149.388%0.87979%0.791SS**  trans63.3162.8157.8-53.1-174153.700116.3
214V29.6Very low30.2Very low117 Ų117146.4 Ų146.471%0.70979%0.786SS**  cis-147.9140.229.1166.10000112.9
215E30.4Very low30.1Very low184 Ų184147.1 Ų147.186%0.8679%0.789SS**  trans53.6158.5157.5-73.9-172109.500125.2
216L32.5Very low29.7Very low165 Ų165148.6 Ų148.686%0.86479%0.789SS**  trans-131.6163.8-176.8-71.8151.3000110
217K27.4Very low29.6Very low212 Ų212150.9 Ų150.992%0.92280%0.799SS**  trans-141111.9155.3-80.4-165.9176.2179.10113.2
218A30.4Very low29.3Very low103 Ų103148 Ų14885%0.85180%0.803SS**  trans-155.314515300000109.6
219E31.4Very low29.2Very low188 Ų188147 Ų14788%0.87980%0.803SS**  trans-83165-174.5-60166.5118.500110.9
220V28.2Very low28.8Very low112 Ų112147.4 Ų147.468%0.67980%0.795SS**  cis-161.4155.66.5980000111
221M28.8Very low28.6Very low162 Ų162145.6 Ų145.680%0.79879%0.789SS**  trans47.3116.4159.9-63.5164.172.800118.8
222L30.9Very low28.7Very low147 Ų147147.9 Ų147.977%0.7779%0.791SS**  cis64.2137.843.2-127.970.4000112.5
223E28.2Very low28.5Very low164 Ų164150 Ų15077%0.76679%0.791SS**  cis-152.9177.524.8-165.4151.4-128.800113.7
224T26.4Very low28.7Very low109 Ų109147.4 Ų147.467%0.66978%0.779SS**  trans-139.3178.7-178.452.10000112.2
225Q29.9Very low28.5Very low169 Ų169147.2 Ų147.279%0.7978%0.779SS**  trans76.2110.8168.6-72.3162.691.200115.2
226T25.8Very low28.6Very low123 Ų123145.4 Ų145.476%0.75577%0.77SS**  73.1115.473.960.20000115.5
227E28.8Very low28.4Very low200 Ų200145 Ų14594%0.93576%0.761SS**  -168.7-179.5117.1-106.5-174.7-178.400112.8
228A26.5Very low28.5Very low87 Ų87139.5 Ų139.572%0.71975%0.75SS**  trans-93.8163.4-156.200000116.8
229L27.6Very low28.4Very low159 Ų159139.4 Ų139.483%0.83274%0.743SS**  174.6165119.6-93.9167.2000115.3
230T23Very low28.3Very low117 Ų117135.5 Ų135.572%0.71874%0.736SS**  trans49.5106.2158.547.70000119.7
231I28.1Very low28.3Very low143 Ų143136.3 Ų136.373%0.73374%0.741SS**  65.9122.873.7-62.1-179.8000115.6
232E30Very low28.4Very low173 Ų173133.3 Ų133.381%0.80874%0.742SS**  trans79146.9157-82.8160.2-15200123.8
233D27Very low28.4Very low127 Ų127131.1 Ų131.168%0.67975%0.746SS**  trans62.5150.1154.9-8920.4000122.2
234Q31Very low28.6Very low134 Ų134127.6 Ų127.663%0.62675%0.745SS**  cis-169161.5-30.9-132.6-17391.900108.5
235T25.5Very low29.5Very low114 Ų114128 Ų12870%0.69975%0.749SS**  trans59.6-176.1156.859.80000115.4
236E32.2Very low29.3Very low145 Ų145125.6 Ų125.668%0.67875%0.746SS**  cis-150.2159.5-41.5-109.1-164.9168.500106.3
237K29.8Very low29.5Very low156 Ų156125.5 Ų125.568%0.67875%0.745SS**  cis-170.9179.64.1178.2144.9167.5176.10112.5
238S30Very low29.6Very low97 Ų97124.5 Ų124.568%0.67874%0.741SS**  trans-58.8150.9178570000118.9
239S27.3Very low30Very low102 Ų102125.7 Ų125.771%0.71374%0.741SS**  -179.7120.4120.534.90000109.2
240S29.6Very low30.4Very low106 Ų106122.6 Ų122.674%0.74174%0.738SS**  56.3137.182.374.50000113.9
241T27.6Very low30.9Very low128 Ų128123.1 Ų123.179%0.78574%0.744SS**  cis-167.3159.131.8-280000112.5
242A30.7Very low31Very low99 Ų99121 Ų12182%0.81875%0.748SS**  trans68.7155.4157.300000117.9
243A31.4Very low31.1Very low101 Ų101122.3 Ų122.384%0.83575%0.754SS**  cis-146.2171-1.300000112
244A31.5Very low31.4Very low91 Ų91120.5 Ų120.575%0.75276%0.756SS**  trans-99.9-178.5170.700000110.4
245P45.8Very low31.7Very low116 Ų116120.4 Ų120.475%0.75377%0.765SS**  cis-143.8-171.513.642.8-22.1000117.3
246T25.8Very low32.4Very low120 Ų120120.5 Ų120.574%0.73677%0.768SS**  trans131.4102143.7-50.40000116.2
247T29.3Very low32.6Very low120 Ų120119.2 Ų119.274%0.73677%0.772SS**  trans51.3112.5138.5-43.70000123.1
248E30.8Very low33.1Very low179 Ų179116.5 Ų116.584%0.83678%0.779SS**  38.2135127.7-148.8169.7-178.200120.6
249P36.4Very low33.6Very low113 Ų113120.5 Ų120.573%0.73479%0.787SS**  cis-137.6167.634.242-24.8000119.3
250A35.2Very low33.9Very low93 Ų93124.6 Ų124.677%0.76980%0.795SS**  trans34.6134.6151.300000122
251P33Very low34.3Very low128 Ų128127.1 Ų127.183%0.83179%0.792SS**  -139.5154.4124.438.8-28.1000116.2
252A32Very low35.2Very low98 Ų98124.9 Ų124.981%0.8178%0.782SS**  trans29.6110.8152.100000120.4A254A252-A254 PolarHBondContact O-N 2.8Å
253E32.2Very low36Very low201 Ų201129.1 Ų129.194%0.93978%0.777SS**  trans-70.1114.7160.2-174.6172.5-153.300110.2
254A32.2Very low36.6Very low89 Ų89128 Ų12874%0.73677%0.768SS**PPolyproline II helixtrans-85.1139.2-179.600000112A252A252-A254 PolarHBondContact O-N 2.8Å
255T37.1Very low37Very low132 Ų132129.1 Ų129.181%0.8176%0.761SS**PPolyproline II helixtrans-63.7126.3178.349.10000111.9
256P40.1Very low36.9Very low116 Ų116129.2 Ų129.275%0.75376%0.759SS**PPolyproline II helixtrans-68.5146.2169.729.5-33.9000110.6
257P37.2Very low37.8Very low119 Ų119128.5 Ų128.577%0.77375%0.754SS**PPolyproline II helixtrans-68.4152.5-179.328.8-35.2000112.1Q259P257-Q259 PolarHBondContact O-N 3.24Å
258A40.4Very low38.3Very low99 Ų99126.5 Ų126.582%0.81875%0.745SS**PPolyproline II helixtrans-63.5127.217800000111.2
259Q39.9Very low39Very low181 Ų181125.9 Ų125.985%0.84674%0.74SS**PPolyproline II helixtrans-77.7126.5171.3-72.3-173-35.500110.2P257P257-Q259 PolarHBondContact O-N 3.24Å
260E32.9Very low39.1Very low188 Ų188126.6 Ų126.688%0.87974%0.738SS**PPolyproline II helixtrans-70.1127.7-175.2-61176.6172.300111.5S262E260-S262 PolarHBondContact O-N 2.79Å; E260-S262 VanDerWaalsContact O-N 3.07Å
261F38.5Very low39.5Very low158 Ų158128.3 Ų128.369%0.69373%0.733SS**  trans-74.5102.9-179.1-90.8-92000111.7M7 W263M7-F261 HydrophobicContact CE-CD1 4.3Å; M7-F261 HydrophobicContact CE-CE1 3.76Å; M7-F261 HydrophobicContact SD-CE1 3.73Å; M7-F261 HydrophobicContact SD-CZ 4.13Å; F261-W263 PolarHBondContact O-N 2.87Å
262S46.8Very low40.1Very low81 Ų81127.5 Ų127.557%0.56673%0.728SS**  trans-59.198.9-176.8162.90000114.3E260E260-S262 PolarHBondContact O-N 2.79Å; E260-S262 VanDerWaalsContact O-N 3.07Å
263W48.4Very low40.6Very low188 Ų188128.9 Ų128.971%0.71273%0.729SS**  trans-106.5-15.6158.7-73.595.7000113.7F261 L265 V266F261-W263 PolarHBondContact O-N 2.87Å; W263-L265 PolarHBondContact O-N 2.88Å; W263-L265 VanDerWaalsContact O-N 3.11Å; W263-V266 PolarHBondContact O-N 2.83Å
264A43.4Very low40.6Very low77 Ų77125.4 Ų125.464%0.63673%0.727SS**THydrogen-bonded Turntrans-67.7-9.2-175.600000115.7S268A264-S268 PolarHBondContact O-OG 2.82Å
265L39.5Very low40.7Very low116 Ų116124.7 Ų124.761%0.60773%0.727SS**THydrogen-bonded Turntrans-92-3.5-176.9-73.6174.7000114.9W263W263-L265 PolarHBondContact O-N 2.88Å; W263-L265 VanDerWaalsContact O-N 3.11Å
266V43.3Very low40.5Very low117 Ų117123.2 Ų123.271%0.70973%0.728SS**THydrogen-bonded Turntrans-94.7-26.4-176.4-176.70000112.9W263W263-V266 PolarHBondContact O-N 2.83Å
267T45.4Very low40.3Very low105 Ų105124 Ų12464%0.64473%0.731SS**THydrogen-bonded Turntrans-94.6-24.1178.7480000113.7K269T267-K269 PolarHBondContact O-N 2.82Å
268S40.1Very low40.3Very low78 Ų78124.2 Ų124.255%0.54573%0.732SS.*THydrogen-bonded Turntrans-84.61.6-168.546.20000116A264A264-S268 PolarHBondContact O-OG 2.82Å
269K44.7Very low39.9Very low166 Ų166125.2 Ų125.272%0.72273%0.728SS**THydrogen-bonded Turntrans-113.56.6-171-97.3-177.3176.1179.20117.3T267T267-K269 PolarHBondContact O-N 2.82Å
270N39.2Very low39.7Very low129 Ų129122.4 Ų122.469%0.6973%0.728SS**SBendtrans-145.547177.2-81.3-75.8000113.4
271L43.7Very low39.5Very low128 Ų128116.9 Ų116.967%0.6772%0.722SS**  trans-105.1131157.2-9270.9000108.4
272P44.1Very low39Very low112 Ų112119.4 Ų119.473%0.72773%0.733SS**PPolyproline II helixtrans-75.9138.7171.131.2-32.5000110.3
273P42.8Very low39.3Very low127 Ų127120.5 Ų120.583%0.82574%0.738SS**PPolyproline II helixtrans-66.9138.5165.729.5-33.3000109.6
274S33.7Very low39.2Very low128 Ų128117.4 Ų117.490%0.89574%0.742SS**PPolyproline II helixtrans-77.2140178.7-170.50000111.6
275G34Very low38.7Very low73 Ų73122.2 Ų122.275%0.75375%0.751SS**  trans97.278.9159.500000118
276A33.2Very low38.4Very low101 Ų101121.9 Ų121.984%0.83575%0.754SS**  trans-173.414413900000110.9
277V36.1Very low37.7Very low134 Ų134126.1 Ų126.181%0.81276%0.763SS**  trans-117.1142.7169.1-153.40000108.2
278P36.5Very low37Very low122 Ų122125 Ų12579%0.79276%0.764SS**  -146124.8117.433.4-16.5000116.2
279V31.5Very low36.5Very low121 Ų121127.8 Ų127.873%0.73378%0.778SS**  trans17.2131.8135.1178.10000121.3
280S35.3Very low36.7Very low121 Ų121125 Ų12585%0.84678%0.777SS**  trans85.9142.3149.973.30000122.1
281G28.9Very low36.1Very low72 Ų72125.2 Ų125.274%0.74278%0.783SS**  trans13494.1155.300000118.2
282F29.6Very low35.6Very low211 Ų211123 Ų12393%0.92578%0.783SS**  trans-145160.7162.6-77.6-65000109.2
283P51.3Low35.2Very low105 Ų105126.6 Ų126.668%0.68279%0.79SS**  cis-123-161.8-44.336-18.1000110.2
284P48.1Very low35.5Very low123 Ų123125.8 Ų125.880%0.79979%0.785SS**  -154124.4100.735.9-15.7000118.4
285H32.8Very low35.3Very low177 Ų177128.7 Ų128.782%0.81978%0.776SS**  54.3125.4117.1-124.438.6000125.1
286V32.3Very low35.3Very low110 Ų110132 Ų13267%0.66778%0.782SS**  trans65.5121.4148.6-126.90000123.5
287K29.8Very low35.3Very low205 Ų205133.5 Ų133.589%0.89177%0.771SS**  -175.5166.1106-97.2169.8-174.4176.80113
288A30.2Very low35.1Very low81 Ų81131.2 Ų131.267%0.66977%0.774SS**  trans-149.7144.9-164.100000115.7
289T28.9Very low34.9Very low138 Ų138132.5 Ų132.585%0.84777%0.768SS**  trans60.8174.3155.558.40000117.7
290P48.6Very low35.2Very low108 Ų108132.5 Ų132.570%0.70177%0.77SS**  cis-133.5-167.6-2.136-14.1000115.8
291T27.9Very low35Very low133 Ų133132.9 Ų132.982%0.81676%0.759SS**  trans83.3157.5151.5-51.30000119.7
292A31.6Very low35Very low81 Ų81135.1 Ų135.167%0.66976%0.758SS**  178.2135.5-8100000113.9
293Q36.8Very low35.1Very low187 Ų187134 Ų13487%0.87476%0.756SS**  trans66.3170.8155.8-69.5-165.411.100118.3
294P49.5Very low34.1Very low110 Ų110135.9 Ų135.971%0.71477%0.766SS**  cis-137.5159.78.843.8-26.3000120.1
295R28.4Very low33.3Very low190 Ų190134.9 Ų134.972%0.71777%0.768SS**  trans44.8129.9131.7-174.4178.5-174.3174.56123.3E297R295-E297 IonicContact CZ-OE1 3.45Å; R295-E297 IonicContact CZ-OE2 3.53Å; R295-E297 IonicContact NE-OE1 3.56Å; R295-E297 IonicContact NE-OE2 3.6Å; R295-E297 PolarHBondContact NE-OE2 2.9Å; R295-E297 VanDerWaalsContact NH2-CD 3.3Å; R295-E297 IonicContact NH2-OE1 2.79Å; R295-E297 PolarHBondContact NH2-OE1 3.11Å; R295-E297 IonicContact NH2-OE2 2.7Å; R295-E297 PolarHBondContact NH2-OE2 2.93Å
296V33.5Very low33.2Very low142 Ų142135.5 Ų135.586%0.86177%0.771SS**  -146.6146.4119.4-177.90000109.3
297E33.5Very low33.2Very low133 Ų133141.1 Ų141.162%0.62178%0.78SS**  trans-88.5167.3179.3-61.2108.7114.500115.9R295R295-E297 IonicContact CZ-OE1 3.45Å; R295-E297 IonicContact CZ-OE2 3.53Å; R295-E297 IonicContact NE-OE1 3.56Å; R295-E297 IonicContact NE-OE2 3.6Å; R295-E297 PolarHBondContact NE-OE2 2.9Å; R295-E297 VanDerWaalsContact NH2-CD 3.3Å; R295-E297 IonicContact NH2-OE1 2.79Å; R295-E297 PolarHBondContact NH2-OE1 3.11Å; R295-E297 IonicContact NH2-OE2 2.7Å; R295-E297 PolarHBondContact NH2-OE2 2.93Å
298G31.8Very low33.3Very low85 Ų85137.7 Ų137.788%0.87678%0.779SS**  trans-167.491.6166.100000113.2
299K32.8Very low33.5Very low149 Ų149142.4 Ų142.465%0.64879%0.787SS**  trans-121148.3172.1-157.3-165-178.5-165.20108.5E301K299-E301 WeakPolarHBondContact CE-OE2 3.26Å; K299-E301 IonicContact NZ-OE1 2.67Å; K299-E301 PolarHBondContact NZ-OE1 3.07Å; K299-E301 IonicContact NZ-OE2 2.71Å; K299-E301 PolarHBondContact NZ-OE2 3.22Å
300P38.9Very low33.7Very low122 Ų122147.2 Ų147.279%0.79279%0.789SS**  -137.7164.5110.537.8-28.1000114.3
301E29.7Very low33Very low129 Ų129149.8 Ų149.860%0.60380%0.797SS**  trans-59.9164.7163.6-97.9103.3169.800112K299K299-E301 WeakPolarHBondContact CE-OE2 3.26Å; K299-E301 IonicContact NZ-OE1 2.67Å; K299-E301 PolarHBondContact NZ-OE1 3.07Å; K299-E301 IonicContact NZ-OE2 2.71Å; K299-E301 PolarHBondContact NZ-OE2 3.22Å
302T28.9Very low33.2Very low119 Ų119151.7 Ų151.773%0.7380%0.797SS**  -168.6170.452.4-31.40000113.2
303Q32.6Very low33.3Very low187 Ų187159.3 Ų159.387%0.87481%0.809SS**  trans86.9117.5157.3-64.9-178.546.700119.4
304T29.8Very low33.2Very low145 Ų145156.7 Ų156.789%0.8981%0.808SS**  trans-79.7135.8166480000111.8
305A30.6Very low32.4Very low102 Ų102162.9 Ų162.984%0.84382%0.817SS**  trans-143152.4161.900000111.2
306Q31.2Very low32.7Very low190 Ų190162.8 Ų162.889%0.88882%0.824SS**PPolyproline II helixtrans-92.8172-164.6-61.4174.93.900113.7
307R32.6Very low32.6Very low228 Ų228164.7 Ų164.786%0.8682%0.824SS**PPolyproline II helixtrans-56.9140.1173.9-59.5165.976.6-164.88.7110.7Q309R307-Q309 PolarHBondContact O-N 3.15Å
308P31.3Very low32.7Very low132 Ų132170.1 Ų170.186%0.85784%0.839SS**PPolyproline II helixtrans-60128.5171.8-21.933000111.3
309Q34.9Very low33.1Very low181 Ų181172 Ų17285%0.84684%0.836SS**PPolyproline II helixtrans-86.4158.6167.6-73.3-167.7-6.200111R307 D311R307-Q309 PolarHBondContact O-N 3.15Å; Q309-D311 PolarHBondContact O-N 3.24Å
310R32.7Very low33.3Very low238 Ų238169 Ų16990%0.89885%0.847SS**PPolyproline II helixtrans-71117.2178.7-176.5-175.2-167.2171.35110.2
311D34.1Very low33.2Very low162 Ų162166.7 Ų166.787%0.86685%0.845SS**PPolyproline II helixtrans-56.5137.4179.5-110.1-52.1000113.1Q309Q309-D311 PolarHBondContact O-N 3.24Å
312Q32.3Very low34Very low174 Ų174166.5 Ų166.581%0.81386%0.855SS**  trans-109.9115.1175.3-65-17953.800108.8
313R33.4Very low34.5Very low241 Ų241166.6 Ų166.691%0.90986%0.858SS**  trans-74.1138173.2-71.1-167.6177.7-156.60110.6
314P34.7Very low35.1Very low131 Ų131163.4 Ų163.485%0.85185%0.853SS**  trans-60.1150.1178.9-25.535.1000113.7
315R32.6Very low36Very low240 Ų240162.4 Ų162.491%0.90685%0.849SS**  trans-93.1111.5176.3-179.5179.2-178.6171.10.6110.1
316E35.1Very low36.7Very low188 Ų188165.3 Ų165.388%0.87985%0.851SS**  trans-69.7149.7175.1-159.8166.6-152.400111.4
317Q31.1Very low36.9Very low182 Ų182167 Ų16785%0.8585%0.849SS**  trans-100.7139.8-170.6-59.3-176.921.900112.1
318R36.3Very low37.2Very low247 Ų247159.1 Ų159.193%0.93284%0.838SS**  trans-124.6131.9159.6-97-170.1174.6-154.1-0.3109.5
319P40.1Very low37.7Very low126 Ų126159.3 Ų159.382%0.81884%0.84SS**  trans-92.4155.9-175.635.8-35.5000113.7
320G37Very low37.7Very low86 Ų86161.5 Ų161.589%0.88784%0.84SS**  trans89.5110.4152.600000117.7
321G37.1Very low38Very low73 Ų73155.8 Ų155.875%0.75383%0.834SS**  trans170110.4167.500000113
322P45.6Very low38.4Very low125 Ų125154 Ų15481%0.81283%0.829SS**PPolyproline II helixtrans-82.2155.5179.633-34.7000112.9
323P40.5Very low38.5Very low121 Ų121157.2 Ų157.279%0.78683%0.833SS**PPolyproline II helixtrans-82.5138.4-176.732.4-34.7000113.3
324P44Very low38.5Very low120 Ų120154.1 Ų154.178%0.77983%0.829SS**PPolyproline II helixtrans-78.8151.9170.132.7-34.1000112.1
325P48.8Very low38.5Very low123 Ų123151.2 Ų151.280%0.79982%0.823SS**PPolyproline II helixtrans-87.6168.5-171.235.1-37.5000115
326N44.8Very low38.4Very low164 Ų164149.3 Ų149.388%0.87783%0.825SS**PPolyproline II helixtrans-46.6138.1174-165.412000113.5
327R37Very low38.6Very low225 Ų225150.3 Ų150.385%0.84983%0.829SS**  trans-126.3125.8175.5-105.7-175.6176.4171.21.7111
328G37.5Very low38.8Very low62 Ų62144.8 Ų144.864%0.63982%0.821SS**  trans-74.8-174.5171.600000113.6
329P42.2Very low39.1Very low136 Ų136142.5 Ų142.588%0.88382%0.821SS**  trans-65.8153.5-171.727.6-35.5000113.6
330R34.7Very low39.2Very low228 Ų228143 Ų14386%0.8682%0.821SS**  trans-139.8161.9173.1-100.7-160167.7-160.9-4.4110.3
331P38.9Very low39.3Very low117 Ų117147.3 Ų147.376%0.7682%0.818SS**  -106.4175.9-120.439.4-39.5000115.1
332V42.2Very low39.4Very low126 Ų126147 Ų14776%0.76482%0.816SS**  trans-52.8145.5169.41790000111.8E334V332-E334 HydrophobicContact CG1-CG 4.03Å
333R34.6Very low39.4Very low241 Ų241151.4 Ų151.491%0.90982%0.816SS**  trans-132.4127.1159178.6179175.7116.61.2107.9
334E34.6Very low39.6Very low175 Ų175156.5 Ų156.582%0.81882%0.82SS**  trans-94.5165.4178.3-65.6169.3104.100111.7V332V332-E334 HydrophobicContact CG1-CG 4.03Å
335G33.7Very low40Very low71 Ų71157.7 Ų157.773%0.73282%0.816SS**  trans89.1118.3-178.300000112.3
336E31Very low40.3Very low200 Ų200156.4 Ų156.494%0.93581%0.806SS**  cis-128.5166.714.3-81.3162.462.200113.2
337Q39.3Very low41.1Very low209 Ų209159.4 Ų159.498%0.97781%0.805SS**  trans-92.8120.9-176.7-67.8171.6-8.500111
338G34.3Very low42.8Very low65 Ų65151.8 Ų151.867%0.6778%0.777SS**  trans-139.8123.2165.700000108.7V340G338-V340 PolarHBondContact O-N 2.84Å
339E44.4Very low44.6Very low200 Ų200152.1 Ų152.194%0.93577%0.767SS**  trans-72.291.4-172.5-69172.9109.200111.8
340V41.8Very low46.2Very low135 Ų135147.8 Ų147.882%0.81874%0.737SS**  trans-112.885155.1-172.70000106.7G338 G342G338-V340 PolarHBondContact O-N 2.84Å; V340-G342 PolarHBondContact O-N 3.32Å
341E38.2Very low48.2Very low177 Ų177138.8 Ų138.883%0.82771%0.711SS**  trans-48130165-77.7-157.1111.700108.5R343E341-R343 VanDerWaalsContact C-N 3.31Å; E341-R343 PolarHBondContact O-N 2.98Å
342G40.1Very low50.4Low68 Ų68135 Ų13570%0.70168%0.683SS**  trans-61.897.3174.700000108.4V340 R344V340-G342 PolarHBondContact O-N 3.32Å; G342-R344 PolarHBondContact O-N 3.06Å
343R44.1Very low52.5Low216 Ų216130.3 Ų130.382%0.81565%0.653SS**  trans-60.685.5-173.1-154.1-178.4-163.1-142.33.9109E341 M345E341-R343 VanDerWaalsContact C-N 3.31Å; E341-R343 PolarHBondContact O-N 2.98Å; R343-M345 VanDerWaalsContact C-N 3.34Å; R343-M345 PolarHBondContact O-N 3.33Å
344R45.2Very low55Low229 Ų229118.8 Ų118.886%0.86461%0.61SS**  trans-54.5102.9170.9-66.5173.3-177.3152.41.3104.4G342 V346G342-R344 PolarHBondContact O-N 3.06Å; R344-V346 PolarHBondContact O-N 2.96Å
345M52.3Low57.6Low145 Ų145112.7 Ų112.771%0.71458%0.581SS**  trans-54.3115.1179.7-72.8-174.768.600106.6R343 R347R343-M345 VanDerWaalsContact C-N 3.34Å; R343-M345 PolarHBondContact O-N 3.33Å; M345-R347 PolarHBondContact O-N 2.71Å
346V56.3Low60.1Low95 Ų95109.3 Ų109.358%0.57655%0.546SS*.  trans-58.9111.4177.9177.90000105.3R344 Y348R344-V346 PolarHBondContact O-N 2.96Å; V346-Y348 HydrophobicContact CB-CD2 4.11Å; V346-Y348 HydrophobicContact CB-CE2 3.6Å; V346-Y348 HydrophobicContact CG1-CD1 4.13Å; V346-Y348 HydrophobicContact CG1-CD2 3.99Å; V346-Y348 HydrophobicContact CG1-CE1 3.74Å; V346-Y348 HydrophobicContact CG1-CE2 3.63Å; V346-Y348 HydrophobicContact CG1-CG 4.24Å; V346-Y348 VanDerWaalsContact CG1-CZ 3.49Å; V346-Y348 WeakPolarHBondContact O-CD2 3.42Å; V346-Y348 PolarHBondContact O-N 3.11Å
347R61.4Low62.6Low227 Ų227100 Ų10086%0.85750%0.504SS*.  trans-79.174.4179.1-88.3-174.9166.6-110.58.4107.7M345M345-R347 PolarHBondContact O-N 2.71Å
348Y71.3Confident64.6Low65 Ų6594 Ų9426%0.25548%0.478SS..  trans-50.2142.1159.1-59.4-75.9000108.6V346 Q353 L379 V396V346-Y348 HydrophobicContact CB-CD2 4.11Å; V346-Y348 HydrophobicContact CB-CE2 3.6Å; V346-Y348 HydrophobicContact CG1-CD1 4.13Å; V346-Y348 HydrophobicContact CG1-CD2 3.99Å; V346-Y348 HydrophobicContact CG1-CE1 3.74Å; V346-Y348 HydrophobicContact CG1-CE2 3.63Å; V346-Y348 HydrophobicContact CG1-CG 4.24Å; V346-Y348 VanDerWaalsContact CG1-CZ 3.49Å; V346-Y348 WeakPolarHBondContact O-CD2 3.42Å; V346-Y348 PolarHBondContact O-N 3.11Å; Y348-Q353 PolarHBondContact O-NE2 2.76Å; Y348-L379 HydrophobicContact CD1-CD1 4.07Å; Y348-L379 HydrophobicContact CE1-CD1 3.41Å; Y348-L379 VanDerWaalsContact CE1-CD1 3.41Å; Y348-V396 HydrophobicContact CD1-CG1 4.08Å; Y348-V396 HydrophobicContact CD2-CG1 3.58Å; Y348-V396 HydrophobicContact CE2-CG1 4.17Å; Y348-V396 HydrophobicContact CG-CG1 3.52Å
349P77.2Confident66.9Low69 Ų6991.1 Ų91.145%0.44845%0.447SS..  trans-54.2145.9174.3-23.433.8000110.5A351 H352 Q353P349-A351 PolarHBondContact O-N 2.84Å; P349-H352 PolarHBondContact O-N 2.89Å; P349-H352 VanDerWaalsContact O-N 3.11Å; P349-Q353 PolarHBondContact O-NE2 3.23Å
350D74.3Confident68.4Low45 Ų4583 Ų8324%0.24141%0.412CS..G310 helixtrans-65.9-26.3-179.3-68.4-93.4000112H352 Q353 K425 T427D350-H352 VanDerWaalsContact C-N 3.25Å; D350-H352 PolarHBondContact O-N 2.56Å; D350-Q353 WeakPolarHBondContact O-CB 3.5Å; D350-Q353 PolarHBondContact O-N 3.06Å; D350-K425 IonicContact OD1-NZ 2.74Å; D350-K425 PolarHBondContact OD1-NZ 3.33Å; D350-T427 HydrophobicContact CB-CG2 3.82Å
351A78.2Confident69.9Low39 Ų3982 Ų8232%0.32240%0.398SS..G310 helixtrans-67.2-17.5172.400000114.6P349 Q353P349-A351 PolarHBondContact O-N 2.84Å; A351-Q353 VanDerWaalsContact C-N 3.27Å
352H84.3Confident71.6Confident38 Ų3879.8 Ų79.818%0.17639%0.392CS..G310 helixtrans-927.1174.3-61.3-145.7000110.7P349 D350 F397 D398P349-H352 PolarHBondContact O-N 2.89Å; P349-H352 VanDerWaalsContact O-N 3.11Å; D350-H352 VanDerWaalsContact C-N 3.25Å; D350-H352 PolarHBondContact O-N 2.56Å; H352-F397 PolarHBondContact O-N 2.92Å; H352-D398 PolarHBondContact CE1-O 2.68Å; H352-D398 PolarHBondContact ND1-O 2.87Å
353Q86.6Confident73.3Confident27 Ų2777.1 Ų77.113%0.12636%0.362CS..EExtended strand (participates in β ladder)trans-121.9116-172.7-62.9176.862.900111.4Y348 P349 D350 A351 V395 V396 K425Y348-Q353 PolarHBondContact O-NE2 2.76Å; P349-Q353 PolarHBondContact O-NE2 3.23Å; D350-Q353 WeakPolarHBondContact O-CB 3.5Å; D350-Q353 PolarHBondContact O-N 3.06Å; A351-Q353 VanDerWaalsContact C-N 3.27Å; Q353-V395 CarbonylContact C-O 3.59Å; Q353-V395 WeakPolarHBondContact CA-O 3.41Å; Q353-V396 HydrophobicContact CG-CB 4.39Å; Q353-V396 HydrophobicContact CG-CG1 4.01Å; Q353-V396 HydrophobicContact CG-CG2 4.01Å; Q353-K425 HydrophobicContact CB-CB 3.91Å; Q353-K425 HydrophobicContact CB-CD 3.98Å; Q353-K425 WeakPolarHBondContact O-CB 3.21Å; Q353-K425 PolarHBondContact O-N 2.68Å; Q353-K425 VanDerWaalsContact OE1-CE 3.27Å
354L87.7Confident75Confident0 Ų071.9 Ų71.90%035%0.35CS..EExtended strand (participates in β ladder)trans-93131.1-179.7-162.776.9000110V356 F372 F394 V395 F397 V403 I406 V422L354-V356 HydrophobicContact CD2-CG2 3.69Å; L354-V356 HydrophobicContact CG-CG2 4.08Å; L354-F372 HydrophobicContact CD2-CD1 4.14Å; L354-F372 HydrophobicContact CD2-CE1 3.68Å; L354-F372 HydrophobicContact CD2-CZ 3.98Å; L354-F394 CarbonylContact O-C 3.58Å; L354-F394 VanDerWaalsContact O-CA 3.28Å; L354-F394 WeakPolarHBondContact O-CA 3.26Å; L354-V395 HydrophobicContact CB-CB 4.14Å; L354-V395 HydrophobicContact CD2-CB 4.46Å; L354-V395 HydrophobicContact CD2-CG2 4.47Å; L354-V395 PolarHBondContact N-O 3.19Å; L354-V395 PolarHBondContact O-N 3.14Å; L354-F397 HydrophobicContact CB-CE2 4.01Å; L354-F397 HydrophobicContact CD2-CE2 4.02Å; L354-F397 HydrophobicContact CD2-CZ 4.48Å; L354-V403 HydrophobicContact CB-CG2 4.48Å; L354-V403 HydrophobicContact CD1-CB 4.42Å; L354-V403 HydrophobicContact CD1-CG1 3.91Å; L354-V403 HydrophobicContact CD1-CG2 4.42Å; L354-I406 HydrophobicContact CD1-CG2 3.86Å; L354-I406 HydrophobicContact CD2-CD1 4.01Å; L354-I406 HydrophobicContact CD2-CG2 3.81Å; L354-I406 HydrophobicContact CG-CG2 4.45Å; L354-V422 HydrophobicContact CD1-CG1 3.43Å; L354-V422 VanDerWaalsContact CD1-CG1 3.43Å; L354-V422 HydrophobicContact CD2-CG1 3.7Å; L354-V422 HydrophobicContact CG-CG1 3.56Å
355F88.2Confident76.8Confident47 Ų4766.3 Ų66.321%0.20633%0.332CS..EExtended strand (participates in β ladder)trans-89.6131.3163.5173.3-103.5000109.6F392 F394 V422 E423F355-F392 HydrophobicContact CE2-CB 3.74Å; F355-F392 AromaticContact CE2-CD2 3.83Å; F355-F392 HydrophobicContact CE2-CD2 3.83Å; F355-F392 HydrophobicContact CE2-CG 4.06Å; F355-F392 HydrophobicContact CZ-CB 3.9Å; F355-F392 HydrophobicContact CZ-CG 4.45Å; F355-F394 HydrophobicContact CB-CD1 4.39Å; F355-F394 HydrophobicContact CB-CE1 4.3Å; F355-F394 HydrophobicContact CD2-CD1 4.12Å; F355-F394 AromaticContact CD2-CE1 3.58Å; F355-F394 HydrophobicContact CD2-CE1 3.58Å; F355-F394 AromaticContact CD2-CZ 3.96Å; F355-F394 HydrophobicContact CD2-CZ 3.96Å; F355-F394 HydrophobicContact CE2-CE1 4.44Å; F355-F394 HydrophobicContact CE2-CZ 4.39Å; F355-F394 HydrophobicContact CG-CE1 4.41Å; F355-V422 WeakPolarHBondContact O-CA 3.41Å; F355-E423 HydrophobicContact CB-CB 4.41Å; F355-E423 HydrophobicContact CD1-CB 4.14Å; F355-E423 HydrophobicContact CD1-CG 4.49Å; F355-E423 PolarHBondContact N-O 3.06Å; F355-E423 PolarHBondContact O-N 3.34Å
356V86.8Confident78.4Confident0 Ų063.4 Ų63.40%032%0.323CS..EExtended strand (participates in β ladder)trans-125.698.1179.9-173.40000108.4L354 V359 F372 F392 G393 V395 L420 N421L354-V356 HydrophobicContact CD2-CG2 3.69Å; L354-V356 HydrophobicContact CG-CG2 4.08Å; V356-V359 HydrophobicContact CB-CG2 4.47Å; V356-V359 HydrophobicContact CG1-CG2 3.78Å; V356-F372 HydrophobicContact CB-CZ 4.49Å; V356-F372 HydrophobicContact CG1-CE2 4.15Å; V356-F372 HydrophobicContact CG1-CZ 4.02Å; V356-F372 HydrophobicContact CG2-CE2 3.75Å; V356-F372 HydrophobicContact CG2-CZ 3.61Å; V356-F392 CarbonylContact O-C 3.49Å; V356-F392 VanDerWaalsContact O-CA 3.26Å; V356-F392 WeakPolarHBondContact O-CA 3.43Å; V356-G393 PolarHBondContact N-O 3.45Å; V356-G393 PolarHBondContact O-N 3.23Å; V356-V395 HydrophobicContact CG2-CG2 3.76Å; V356-L420 HydrophobicContact CG1-CB 4.28Å; V356-L420 HydrophobicContact CG1-CD1 3.99Å; V356-L420 HydrophobicContact CG1-CD2 4.32Å; V356-L420 HydrophobicContact CG1-CG 4.44Å; V356-N421 CarbonylContact C-O 3.58Å
357G83.1Confident79.7Confident5 Ų561.9 Ų61.95%0.05231%0.31CS..EExtended strand (participates in β ladder)trans-92.2168.6172.500000112.6V359 N421G357-V359 VanDerWaalsContact C-N 3.25Å; G357-V359 PolarHBondContact O-N 3.45Å; G357-N421 PolarHBondContact N-O 3.05Å; G357-N421 PolarHBondContact O-N 3.16Å
358N82.1Confident80.8Confident83 Ų8351.1 Ų51.144%0.44427%0.269SS..EExtended strand (participates in β ladder)trans58.734.5-178-158.358.2000113.8N391 R419 N421N358-N391 PolarHBondContact N-O 2.97Å; N358-R419 PolarHBondContact ND2-O 2.79Å; N358-N421 HydrophobicContact CB-CB 4.49Å
359V82Confident81.5Confident3 Ų351.2 Ų51.22%0.01827%0.271CS..EExtended strand (participates in β ladder)trans-70.3136.9167.7-175.90000107.7V356 G357 V363 L368 N391 L420V356-V359 HydrophobicContact CB-CG2 4.47Å; V356-V359 HydrophobicContact CG1-CG2 3.78Å; G357-V359 VanDerWaalsContact C-N 3.25Å; G357-V359 PolarHBondContact O-N 3.45Å; V359-V363 HydrophobicContact CG1-CB 4.11Å; V359-V363 HydrophobicContact CG1-CG1 4.13Å; V359-L368 HydrophobicContact CG1-CD2 4.19Å; V359-L368 HydrophobicContact CG2-CD2 4.17Å; V359-N391 HydrophobicContact CB-CB 3.93Å; V359-N391 HydrophobicContact CG1-CB 4.43Å; V359-N391 PolarHBondContact N-O 3.08Å; V359-N391 WeakPolarHBondContact O-CB 3.34Å; V359-N391 PolarHBondContact O-N 3.21Å; V359-L420 HydrophobicContact CG2-CD2 4.27Å
360P76.4Confident82Confident29 Ų2953.7 Ų53.719%0.18828%0.276CS..  trans-63.5167.8174.4-21.432.8000112.8D362 V363 N391 V418P360-D362 VanDerWaalsContact C-N 3.31Å; P360-V363 HydrophobicContact CB-CG2 3.87Å; P360-V363 HydrophobicContact CG-CG2 3.67Å; P360-N391 PolarHBondContact O-ND2 3.28Å; P360-V418 HydrophobicContact CG-CB 4.32Å; P360-V418 HydrophobicContact CG-CG1 3.69Å; P360-V418 HydrophobicContact CG-CG2 3.88Å
361H71.9Confident82.6Confident115 Ų11553 Ų5353%0.53227%0.271SS..THydrogen-bonded Turntrans-76.9-21.1173.3-64.4-68.2000113L389 N391H361-L389 PolarHBondContact CE1-O 2.93Å; H361-N391 WeakPolarHBondContact CA-ND2 3.4Å; H361-N391 PolarHBondContact CE1-OD1 3.14Å; H361-N391 PolarHBondContact ND1-OD1 3.09Å; H361-N391 VanDerWaalsContact ND1-OD1 3.11Å
362D74.6Confident83Confident130 Ų13051.1 Ų51.170%0.69526%0.256SS*.THydrogen-bonded Turntrans-10322.9-174-34.8-74.2000113.5P360P360-D362 VanDerWaalsContact C-N 3.31Å
363V75.4Confident83.1Confident13 Ų1353 Ų538%0.07927%0.265CS..  trans-110.9121.2-178.91690000111.1V359 P360 L368 F414V359-V363 HydrophobicContact CG1-CB 4.11Å; V359-V363 HydrophobicContact CG1-CG1 4.13Å; P360-V363 HydrophobicContact CB-CG2 3.87Å; P360-V363 HydrophobicContact CG-CG2 3.67Å; V363-L368 HydrophobicContact CG1-CB 4.13Å; V363-L368 HydrophobicContact CG1-CD1 4.48Å; V363-F414 HydrophobicContact CB-CE1 4.32Å; V363-F414 HydrophobicContact CG1-CE1 3.82Å; V363-F414 HydrophobicContact CG1-CZ 3.76Å; V363-F414 HydrophobicContact CG2-CD1 4.09Å; V363-F414 HydrophobicContact CG2-CE1 3.45Å; V363-F414 VanDerWaalsContact CG2-CE1 3.45Å; V363-F414 HydrophobicContact CG2-CZ 4.22Å
364D79.7Confident83Confident106 Ų10658.6 Ų58.657%0.56729%0.291SS*.  trans-77.7154178.6-87.1-51.4000113.4T366 E367 L368D364-T366 PolarHBondContact O-N 2.97Å; D364-E367 PolarHBondContact O-N 3.19Å; D364-L368 PolarHBondContact O-N 2.79Å; D364-L368 VanDerWaalsContact O-N 3.16Å
365K83.6Confident82.8Confident111 Ų11161.8 Ų61.848%0.48330%0.303SS..Hα-helixtrans-60.8-29175.7164.1166.9172.6164.70112.7K369 L381 I383K365-K369 VanDerWaalsContact O-CB 3.3Å; K365-K369 WeakPolarHBondContact O-CB 3.13Å; K365-K369 PolarHBondContact O-N 2.95Å; K365-L381 HydrophobicContact CB-CD2 4.5Å; K365-L381 VanDerWaalsContact CE-O 3.27Å; K365-L381 WeakPolarHBondContact CE-O 3.39Å; K365-L381 HydrophobicContact CG-CD2 4.04Å; K365-L381 PolarHBondContact NZ-O 2.82Å; K365-I383 HydrophobicContact CB-CD1 4.22Å
366T85.5Confident82.7Confident85 Ų8560.4 Ų60.452%0.52130%0.303SS..Hα-helixtrans-70.1-55.8177.540.90000111.3D364 L368 K369 E370D364-T366 PolarHBondContact O-N 2.97Å; T366-L368 VanDerWaalsContact C-N 3.29Å; T366-L368 PolarHBondContact O-N 2.97Å; T366-K369 WeakPolarHBondContact O-CA 3.4Å; T366-K369 WeakPolarHBondContact O-CB 3.41Å; T366-K369 PolarHBondContact O-N 2.87Å; T366-E370 WeakPolarHBondContact O-CG 3.31Å; T366-E370 PolarHBondContact O-N 2.7Å
367E84.6Confident82.7Confident63 Ų6364.1 Ų64.129%0.29432%0.322SS..Hα-helixtrans-57.4-42.3178.7-61.3-172.1-176.200112.3D364 K369 E370 F371 F414 R415D364-E367 PolarHBondContact O-N 3.19Å; E367-K369 VanDerWaalsContact C-N 3.27Å; E367-K369 PolarHBondContact O-N 3.42Å; E367-E370 PolarHBondContact O-N 2.56Å; E367-F371 WeakPolarHBondContact O-CB 3.36Å; E367-F371 PolarHBondContact O-N 2.87Å; E367-F414 HydrophobicContact CB-CZ 3.96Å; E367-R415 IonicContact OE1-CZ 3.77Å; E367-R415 IonicContact OE1-NH2 2.74Å; E367-R415 PolarHBondContact OE1-NH2 2.99Å; E367-R415 IonicContact OE2-CZ 3.21Å; E367-R415 IonicContact OE2-NE 2.94Å; E367-R415 PolarHBondContact OE2-NE 2.93Å; E367-R415 IonicContact OE2-NH2 2.7Å; E367-R415 PolarHBondContact OE2-NH2 2.87Å
368L84.3Confident82.9Confident1 Ų164.2 Ų64.21%0.00532%0.322CS..Hα-helixtrans-67.5-30.5178.9-16464.2000111.6V359 V363 D364 T366 F372 L381 I383 F414 L420V359-L368 HydrophobicContact CG1-CD2 4.19Å; V359-L368 HydrophobicContact CG2-CD2 4.17Å; V363-L368 HydrophobicContact CG1-CB 4.13Å; V363-L368 HydrophobicContact CG1-CD1 4.48Å; D364-L368 PolarHBondContact O-N 2.79Å; D364-L368 VanDerWaalsContact O-N 3.16Å; T366-L368 VanDerWaalsContact C-N 3.29Å; T366-L368 PolarHBondContact O-N 2.97Å; L368-F372 HydrophobicContact CD1-CD2 4.25Å; L368-F372 HydrophobicContact CD1-CE2 3.7Å; L368-F372 HydrophobicContact CG-CD2 4.1Å; L368-F372 HydrophobicContact CG-CE2 3.87Å; L368-F372 WeakPolarHBondContact O-CD2 3.11Å; L368-F372 PolarHBondContact O-N 3.32Å; L368-L381 HydrophobicContact CB-CD1 4.2Å; L368-L381 HydrophobicContact CD2-CD1 4.41Å; L368-L381 HydrophobicContact CD2-CD2 4.28Å; L368-L381 HydrophobicContact CG-CD1 4.14Å; L368-I383 HydrophobicContact CD2-CD1 3.98Å; L368-I383 HydrophobicContact CD2-CG1 4.18Å; L368-F414 HydrophobicContact CD1-CD2 4.1Å; L368-F414 HydrophobicContact CD1-CE2 3.99Å; L368-L420 HydrophobicContact CD1-CD1 4.06Å
369K86.1Confident83Confident67 Ų6763.9 Ų63.929%0.29132%0.32SS..Hα-helixtrans-71-50.7173.1-179.5178.1171-75.50110.7K365 T366 E367 F371 F372 E373 V378 L381K365-K369 VanDerWaalsContact O-CB 3.3Å; K365-K369 WeakPolarHBondContact O-CB 3.13Å; K365-K369 PolarHBondContact O-N 2.95Å; T366-K369 WeakPolarHBondContact O-CA 3.4Å; T366-K369 WeakPolarHBondContact O-CB 3.41Å; T366-K369 PolarHBondContact O-N 2.87Å; E367-K369 VanDerWaalsContact C-N 3.27Å; E367-K369 PolarHBondContact O-N 3.42Å; K369-F371 VanDerWaalsContact C-N 3.25Å; K369-F371 PolarHBondContact O-N 2.94Å; K369-F372 CarbonylContact O-C 3.59Å; K369-F372 PolarHBondContact O-N 3.31Å; K369-E373 WeakPolarHBondContact CE-OE1 3.14Å; K369-E373 HydrophobicContact CG-CG 4.29Å; K369-E373 IonicContact NZ-OE1 2.77Å; K369-E373 PolarHBondContact NZ-OE1 2.92Å; K369-E373 IonicContact NZ-OE2 3.72Å; K369-E373 PolarHBondContact NZ-OE2 3.21Å; K369-E373 WeakPolarHBondContact O-CG 3.42Å; K369-E373 PolarHBondContact O-N 2.97Å; K369-V378 HydrophobicContact CG-CB 4.11Å; K369-V378 HydrophobicContact CG-CG1 4.09Å; K369-L381 HydrophobicContact CB-CD1 4.02Å
370E87.8Confident83Confident120 Ų12067.3 Ų67.356%0.56134%0.336SS*.Hα-helixtrans-58.1-37.2179.1-71.3163.4-152.700112.2T366 E367T366-E370 WeakPolarHBondContact O-CG 3.31Å; T366-E370 PolarHBondContact O-N 2.7Å; E367-E370 PolarHBondContact O-N 2.56Å
371F85.4Confident83.4Confident30 Ų3066.2 Ų66.213%0.13233%0.328CS..Hα-helixtrans-65.4-43.2173.4-178.1-93.4000112.7E367 K369 Q374 Y375 I412 F414E367-F371 WeakPolarHBondContact O-CB 3.36Å; E367-F371 PolarHBondContact O-N 2.87Å; K369-F371 VanDerWaalsContact C-N 3.25Å; K369-F371 PolarHBondContact O-N 2.94Å; F371-Q374 WeakPolarHBondContact O-CB 3.35Å; F371-Q374 PolarHBondContact O-N 3.09Å; F371-Y375 HydrophobicContact CE1-CE2 4.03Å; F371-Y375 HydrophobicContact CZ-CE2 4.27Å; F371-I412 HydrophobicContact CE1-CG2 3.63Å; F371-I412 HydrophobicContact CZ-CG2 3.67Å; F371-F414 HydrophobicContact CB-CD2 4.02Å; F371-F414 HydrophobicContact CB-CE2 3.76Å; F371-F414 HydrophobicContact CD1-CD2 4.01Å; F371-F414 AromaticContact CD2-CD2 3.88Å; F371-F414 HydrophobicContact CD2-CD2 3.88Å; F371-F414 HydrophobicContact CD2-CE2 4.3Å; F371-F414 HydrophobicContact CE2-CD2 4.38Å; F371-F414 AromaticContact CG-CD2 3.68Å; F371-F414 HydrophobicContact CG-CD2 3.68Å; F371-F414 AromaticContact CG-CE2 3.96Å; F371-F414 HydrophobicContact CG-CE2 3.96Å
372F86.4Confident83.9Confident0 Ų066.9 Ų66.90%033%0.326CS..Hα-helixtrans-76.2-24.5178.2-77.1-56.4000113.5L354 V356 L368 K369 Q374 Y375 G376 V378 L381 V395 F397 I406 L420L354-F372 HydrophobicContact CD2-CD1 4.14Å; L354-F372 HydrophobicContact CD2-CE1 3.68Å; L354-F372 HydrophobicContact CD2-CZ 3.98Å; V356-F372 HydrophobicContact CB-CZ 4.49Å; V356-F372 HydrophobicContact CG1-CE2 4.15Å; V356-F372 HydrophobicContact CG1-CZ 4.02Å; V356-F372 HydrophobicContact CG2-CE2 3.75Å; V356-F372 HydrophobicContact CG2-CZ 3.61Å; L368-F372 HydrophobicContact CD1-CD2 4.25Å; L368-F372 HydrophobicContact CD1-CE2 3.7Å; L368-F372 HydrophobicContact CG-CD2 4.1Å; L368-F372 HydrophobicContact CG-CE2 3.87Å; L368-F372 WeakPolarHBondContact O-CD2 3.11Å; L368-F372 PolarHBondContact O-N 3.32Å; K369-F372 CarbonylContact O-C 3.59Å; K369-F372 PolarHBondContact O-N 3.31Å; F372-Q374 PolarHBondContact O-N 3Å; F372-Y375 HydrophobicContact CD1-CD2 4.46Å; F372-Y375 PolarHBondContact O-N 3.06Å; F372-G376 PolarHBondContact O-N 3.28Å; F372-V378 HydrophobicContact CB-CG2 3.86Å; F372-L381 HydrophobicContact CD2-CD1 4.48Å; F372-V395 HydrophobicContact CB-CG1 4.32Å; F372-V395 HydrophobicContact CD2-CG1 4.36Å; F372-V395 HydrophobicContact CD2-CG2 3.65Å; F372-V395 HydrophobicContact CE2-CG2 3.79Å; F372-V395 HydrophobicContact CG-CG1 4.43Å; F372-V395 HydrophobicContact CG-CG2 4.37Å; F372-F397 HydrophobicContact CB-CE1 4.26Å; F372-F397 HydrophobicContact CB-CZ 3.94Å; F372-F397 HydrophobicContact CD1-CZ 4.22Å; F372-F397 HydrophobicContact CG-CZ 4.28Å; F372-I406 HydrophobicContact CD1-CD1 3.7Å; F372-I406 HydrophobicContact CE1-CD1 4.1Å; F372-I406 HydrophobicContact CE1-CG2 4.33Å; F372-L420 HydrophobicContact CZ-CD1 4.1Å
373E87.3Confident84.3Confident77 Ų7762.7 Ų62.736%0.3630%0.303SS..THydrogen-bonded Turntrans-64.6-15.7172.5-77.6-179.7130.600114K369 Y375 G376 V378K369-E373 WeakPolarHBondContact CE-OE1 3.14Å; K369-E373 HydrophobicContact CG-CG 4.29Å; K369-E373 IonicContact NZ-OE1 2.77Å; K369-E373 PolarHBondContact NZ-OE1 2.92Å; K369-E373 IonicContact NZ-OE2 3.72Å; K369-E373 PolarHBondContact NZ-OE2 3.21Å; K369-E373 WeakPolarHBondContact O-CG 3.42Å; K369-E373 PolarHBondContact O-N 2.97Å; E373-Y375 PolarHBondContact O-N 3.12Å; E373-G376 WeakPolarHBondContact CA-O 3.45Å; E373-V378 HydrophobicContact CG-CB 4.11Å; E373-V378 HydrophobicContact CG-CG2 3.86Å
374Q85.3Confident84.4Confident146 Ų14665.1 Ų65.168%0.68232%0.316SS*.THydrogen-bonded Turntrans-68-19.6169.8-58-1796.300113.1F371 F372F371-Q374 WeakPolarHBondContact O-CB 3.35Å; F371-Q374 PolarHBondContact O-N 3.09Å; F372-Q374 PolarHBondContact O-N 3Å
375Y82.5Confident84Confident66 Ų6663.9 Ų63.926%0.25932%0.316SS..THydrogen-bonded Turntrans-107.7-21.2-177.7-62-89.1000113.3F371 F372 E373 P402 I406F371-Y375 HydrophobicContact CE1-CE2 4.03Å; F371-Y375 HydrophobicContact CZ-CE2 4.27Å; F372-Y375 HydrophobicContact CD1-CD2 4.46Å; F372-Y375 PolarHBondContact O-N 3.06Å; E373-Y375 PolarHBondContact O-N 3.12Å; Y375-P402 WeakPolarHBondContact O-CB 3.37Å; Y375-I406 HydrophobicContact CD1-CG1 3.63Å; Y375-I406 HydrophobicContact CD2-CD1 4.24Å; Y375-I406 HydrophobicContact CD2-CG1 3.98Å; Y375-I406 HydrophobicContact CE1-CG1 4.23Å; Y375-I406 HydrophobicContact CG-CD1 3.94Å; Y375-I406 HydrophobicContact CG-CG1 3.48Å; Y375-I406 VanDerWaalsContact CG-CG1 3.48Å
376G85.8Confident82.6Confident19 Ų1960.2 Ų60.220%0.19631%0.309CS..SBendtrans165.2166.9179.400000113F372 E373 V378 F397F372-G376 PolarHBondContact O-N 3.28Å; E373-G376 WeakPolarHBondContact CA-O 3.45Å; G376-V378 PolarHBondContact O-N 3.41Å; G376-F397 WeakPolarHBondContact O-CE1 3.36Å
377N86.3Confident81.5Confident77 Ų7759.2 Ų59.241%0.41232%0.316SS..  trans-73.1125.1-171164.540.1000112.5F397 D398N377-F397 WeakPolarHBondContact O-CA 3.27Å; N377-D398 WeakPolarHBondContact CB-OD2 3.24Å; N377-D398 PolarHBondContact ND2-OD2 2.89Å; N377-D398 PolarHBondContact O-N 3.37Å
378V88.3Confident80.2Confident8 Ų866.6 Ų66.65%0.04835%0.347CS..EExtended strand (participates in β ladder)trans-97.1104.1-172.5177.70000111.4K369 F372 E373 G376 L381 V395 V396 F397K369-V378 HydrophobicContact CG-CB 4.11Å; K369-V378 HydrophobicContact CG-CG1 4.09Å; F372-V378 HydrophobicContact CB-CG2 3.86Å; E373-V378 HydrophobicContact CG-CB 4.11Å; E373-V378 HydrophobicContact CG-CG2 3.86Å; G376-V378 PolarHBondContact O-N 3.41Å; V378-L381 HydrophobicContact CG1-CB 4.18Å; V378-V395 HydrophobicContact CB-CG1 4.4Å; V378-V395 HydrophobicContact CG1-CG1 3.59Å; V378-V395 HydrophobicContact CG2-CG1 3.93Å; V378-V396 CarbonylContact C-O 3.56Å; V378-F397 HydrophobicContact CG2-CD1 4.04Å; V378-F397 HydrophobicContact CG2-CE1 3.63Å; V378-F397 HydrophobicContact CG2-CZ 4.26Å
379L84.3Confident79Confident76 Ų7672.1 Ų72.140%0.39838%0.376SS..EExtended strand (participates in β ladder)trans-73.6-44.2179.5-61.9-173.6000113.8Y348 V396 D398Y348-L379 HydrophobicContact CD1-CD1 4.07Å; Y348-L379 HydrophobicContact CE1-CD1 3.41Å; Y348-L379 VanDerWaalsContact CE1-CD1 3.41Å; L379-V396 PolarHBondContact N-O 3.43Å; L379-D398 HydrophobicContact CD1-CB 3.96Å; L379-D398 HydrophobicContact CD2-CB 4.29Å; L379-D398 HydrophobicContact CG-CB 4.09Å
380E81.9Confident78Confident74 Ų7472.4 Ų72.435%0.34638%0.384SS..EExtended strand (participates in β ladder)trans-143.4127.6176.2-174.7170.7-160.600111.4V395 V396E380-V395 CarbonylContact O-C 3.6Å; E380-V396 HydrophobicContact CB-CB 4.12Å; E380-V396 HydrophobicContact CB-CG2 4.01Å; E380-V396 PolarHBondContact N-O 3.5Å; E380-V396 WeakPolarHBondContact O-CB 3.5Å; E380-V396 WeakPolarHBondContact O-CG2 3.44Å; E380-V396 PolarHBondContact O-N 3.49Å
381L84.3Confident77.6Confident6 Ų666.9 Ų66.93%0.03136%0.359CS..EExtended strand (participates in β ladder)trans-115.6126.9170.5-162.7151.9000110.5K365 L368 K369 F372 V378 I383 V395K365-L381 HydrophobicContact CB-CD2 4.5Å; K365-L381 VanDerWaalsContact CE-O 3.27Å; K365-L381 WeakPolarHBondContact CE-O 3.39Å; K365-L381 HydrophobicContact CG-CD2 4.04Å; K365-L381 PolarHBondContact NZ-O 2.82Å; L368-L381 HydrophobicContact CB-CD1 4.2Å; L368-L381 HydrophobicContact CD2-CD1 4.41Å; L368-L381 HydrophobicContact CD2-CD2 4.28Å; L368-L381 HydrophobicContact CG-CD1 4.14Å; K369-L381 HydrophobicContact CB-CD1 4.02Å; F372-L381 HydrophobicContact CD2-CD1 4.48Å; V378-L381 HydrophobicContact CG1-CB 4.18Å; L381-I383 HydrophobicContact CD2-CD1 4.16Å; L381-I383 HydrophobicContact CD2-CG1 3.59Å; L381-V395 HydrophobicContact CD1-CG1 4.31Å; L381-V395 HydrophobicContact CD1-CG2 3.97Å; L381-V395 HydrophobicContact CG-CG2 4.13Å
382R82.9Confident77.6Confident130 Ų13068.6 Ų68.649%0.49137%0.366SS..EExtended strand (participates in β ladder)trans-131.298.6-177.4-179.7-176.7174.3148.73.7111G393 F394R382-G393 CarbonylContact O-C 3.59Å; R382-G393 WeakPolarHBondContact O-CA 3.31Å; R382-F394 PolarHBondContact N-O 3.14Å; R382-F394 PolarHBondContact O-N 3.25Å
383I82.9Confident77.6Confident41 Ų4168.7 Ų68.721%0.2137%0.367CS..EExtended strand (participates in β ladder)trans-78.5142.2167.5-50.8178.8000108.9K365 L368 L381 S385 N391K365-I383 HydrophobicContact CB-CD1 4.22Å; L368-I383 HydrophobicContact CD2-CD1 3.98Å; L368-I383 HydrophobicContact CD2-CG1 4.18Å; L381-I383 HydrophobicContact CD2-CD1 4.16Å; L381-I383 HydrophobicContact CD2-CG1 3.59Å; I383-S385 WeakPolarHBondContact CG2-OG 3.36Å; I383-N391 HydrophobicContact CG2-CB 4.48Å
384N78.3Confident77.7Confident65 Ų6567.7 Ų67.735%0.34836%0.362SS..  trans-126.868.2179.1-168.399000110.1G386 F392N384-G386 PolarHBondContact O-N 2.92Å; N384-F392 HydrophobicContact CB-CD2 4.23Å; N384-F392 HydrophobicContact CB-CE2 3.82Å; N384-F392 HydrophobicContact CB-CZ 4.11Å; N384-F392 PolarHBondContact N-O 3.22Å; N384-F392 WeakPolarHBondContact ND2-CZ 3.31Å
385S71.3Confident77.8Confident80 Ų8060.8 Ų60.856%0.55933%0.329SS*.  trans-64.2111.5-177.5-47.30000111.6I383 N391I383-S385 WeakPolarHBondContact CG2-OG 3.36Å; S385-N391 WeakPolarHBondContact CA-OD1 3.48Å; S385-N391 VanDerWaalsContact CB-OD1 3.23Å; S385-N391 WeakPolarHBondContact CB-OD1 3.32Å; S385-N391 PolarHBondContact OG-ND2 3.29Å
386G54.1Low78.1Confident34 Ų3458 Ų5835%0.35132%0.319SS..  trans-119.746.3-154.700000116.1N384N384-G386 PolarHBondContact O-N 2.92Å
387G62.4Low78.3Confident64 Ų6457.1 Ų57.166%0.6631%0.31SS*.SBendtrans73.9-133.9177.600000113.1L389G387-L389 PolarHBondContact O-N 3.39Å
388K56.3Low78.4Confident218 Ų21856.2 Ų56.295%0.94831%0.305SS*.SBendtrans-73.812.5-176.2-66.5-171.2175.8-172.50115.1
389L59.3Low78.3Confident117 Ų11760.3 Ų60.361%0.61333%0.327SS*.SBendtrans-109.7146.9178.7-70.4168.2000108.7H361 G387 N391H361-L389 PolarHBondContact CE1-O 2.93Å; G387-L389 PolarHBondContact O-N 3.39Å; L389-N391 PolarHBondContact O-N 3.01Å
390P65.6Low78.3Confident72 Ų7258.7 Ų58.747%0.46832%0.322SS..  trans-55.7141.3177.624.5-34.4000110.2
391N78.9Confident78.5Confident5 Ų560.4 Ų60.43%0.02733%0.33CS..EExtended strand (participates in β ladder)trans-62.8143.7-179-68.3-17.4000109.8N358 V359 P360 H361 I383 S385 L389N358-N391 PolarHBondContact N-O 2.97Å; V359-N391 HydrophobicContact CB-CB 3.93Å; V359-N391 HydrophobicContact CG1-CB 4.43Å; V359-N391 PolarHBondContact N-O 3.08Å; V359-N391 WeakPolarHBondContact O-CB 3.34Å; V359-N391 PolarHBondContact O-N 3.21Å; P360-N391 PolarHBondContact O-ND2 3.28Å; H361-N391 WeakPolarHBondContact CA-ND2 3.4Å; H361-N391 PolarHBondContact CE1-OD1 3.14Å; H361-N391 PolarHBondContact ND1-OD1 3.09Å; H361-N391 VanDerWaalsContact ND1-OD1 3.11Å; I383-N391 HydrophobicContact CG2-CB 4.48Å; S385-N391 WeakPolarHBondContact CA-OD1 3.48Å; S385-N391 VanDerWaalsContact CB-OD1 3.23Å; S385-N391 WeakPolarHBondContact CB-OD1 3.32Å; S385-N391 PolarHBondContact OG-ND2 3.29Å; L389-N391 PolarHBondContact O-N 3.01Å
392F84.6Confident78.6Confident66 Ų6660.5 Ų60.529%0.28933%0.331SS..EExtended strand (participates in β ladder)trans-132.6152.2170.563.5-89.5000109.6F355 V356 N384 F394F355-F392 HydrophobicContact CE2-CB 3.74Å; F355-F392 AromaticContact CE2-CD2 3.83Å; F355-F392 HydrophobicContact CE2-CD2 3.83Å; F355-F392 HydrophobicContact CE2-CG 4.06Å; F355-F392 HydrophobicContact CZ-CB 3.9Å; F355-F392 HydrophobicContact CZ-CG 4.45Å; V356-F392 CarbonylContact O-C 3.49Å; V356-F392 VanDerWaalsContact O-CA 3.26Å; V356-F392 WeakPolarHBondContact O-CA 3.43Å; N384-F392 HydrophobicContact CB-CD2 4.23Å; N384-F392 HydrophobicContact CB-CE2 3.82Å; N384-F392 HydrophobicContact CB-CZ 4.11Å; N384-F392 PolarHBondContact N-O 3.22Å; N384-F392 WeakPolarHBondContact ND2-CZ 3.31Å; F392-F394 HydrophobicContact CD2-CE2 4.25Å; F392-F394 HydrophobicContact CE2-CE2 4.19Å
393G86.7Confident78.7Confident1 Ų154.4 Ų54.41%0.0131%0.308CS..EExtended strand (participates in β ladder)trans-139.8172.2178.200000112.6V356 R382V356-G393 PolarHBondContact N-O 3.45Å; V356-G393 PolarHBondContact O-N 3.23Å; R382-G393 CarbonylContact O-C 3.59Å; R382-G393 WeakPolarHBondContact O-CA 3.31Å
394F88.8Confident78.7Confident57 Ų5758 Ų5825%0.2532%0.324CS..EExtended strand (participates in β ladder)trans-122.9135.3169.4-59-83000108.5L354 F355 R382 F392 K425L354-F394 CarbonylContact O-C 3.58Å; L354-F394 VanDerWaalsContact O-CA 3.28Å; L354-F394 WeakPolarHBondContact O-CA 3.26Å; F355-F394 HydrophobicContact CB-CD1 4.39Å; F355-F394 HydrophobicContact CB-CE1 4.3Å; F355-F394 HydrophobicContact CD2-CD1 4.12Å; F355-F394 AromaticContact CD2-CE1 3.58Å; F355-F394 HydrophobicContact CD2-CE1 3.58Å; F355-F394 AromaticContact CD2-CZ 3.96Å; F355-F394 HydrophobicContact CD2-CZ 3.96Å; F355-F394 HydrophobicContact CE2-CE1 4.44Å; F355-F394 HydrophobicContact CE2-CZ 4.39Å; F355-F394 HydrophobicContact CG-CE1 4.41Å; R382-F394 PolarHBondContact N-O 3.14Å; R382-F394 PolarHBondContact O-N 3.25Å; F392-F394 HydrophobicContact CD2-CE2 4.25Å; F392-F394 HydrophobicContact CE2-CE2 4.19Å; F394-K425 HydrophobicContact CD1-CD 3.53Å; F394-K425 HydrophobicContact CD1-CG 4.08Å; F394-K425 HydrophobicContact CE1-CD 3.76Å; F394-K425 HydrophobicContact CE1-CG 3.98Å; F394-K425 HydrophobicContact CG-CD 4.42Å
395V88.8Confident79Confident1 Ų159.7 Ų59.71%0.00633%0.328CS..EExtended strand (participates in β ladder)trans-115.7133.4173.7-167.80000107Q353 L354 V356 F372 V378 E380 L381 F397Q353-V395 CarbonylContact C-O 3.59Å; Q353-V395 WeakPolarHBondContact CA-O 3.41Å; L354-V395 HydrophobicContact CB-CB 4.14Å; L354-V395 HydrophobicContact CD2-CB 4.46Å; L354-V395 HydrophobicContact CD2-CG2 4.47Å; L354-V395 PolarHBondContact N-O 3.19Å; L354-V395 PolarHBondContact O-N 3.14Å; V356-V395 HydrophobicContact CG2-CG2 3.76Å; F372-V395 HydrophobicContact CB-CG1 4.32Å; F372-V395 HydrophobicContact CD2-CG1 4.36Å; F372-V395 HydrophobicContact CD2-CG2 3.65Å; F372-V395 HydrophobicContact CE2-CG2 3.79Å; F372-V395 HydrophobicContact CG-CG1 4.43Å; F372-V395 HydrophobicContact CG-CG2 4.37Å; V378-V395 HydrophobicContact CB-CG1 4.4Å; V378-V395 HydrophobicContact CG1-CG1 3.59Å; V378-V395 HydrophobicContact CG2-CG1 3.93Å; E380-V395 CarbonylContact O-C 3.6Å; L381-V395 HydrophobicContact CD1-CG1 4.31Å; L381-V395 HydrophobicContact CD1-CG2 3.97Å; L381-V395 HydrophobicContact CG-CG2 4.13Å; V395-F397 HydrophobicContact CB-CE2 4.12Å; V395-F397 HydrophobicContact CG1-CD2 4.36Å; V395-F397 HydrophobicContact CG1-CE1 4.48Å; V395-F397 HydrophobicContact CG1-CE2 3.77Å; V395-F397 HydrophobicContact CG1-CZ 3.85Å
396V88.6Confident79.7Confident7 Ų755.9 Ų55.94%0.04230%0.301CS..EExtended strand (participates in β ladder)trans-114.5120.8177.8-171.70000107.5Y348 Q353 V378 L379 E380Y348-V396 HydrophobicContact CD1-CG1 4.08Å; Y348-V396 HydrophobicContact CD2-CG1 3.58Å; Y348-V396 HydrophobicContact CE2-CG1 4.17Å; Y348-V396 HydrophobicContact CG-CG1 3.52Å; Q353-V396 HydrophobicContact CG-CB 4.39Å; Q353-V396 HydrophobicContact CG-CG1 4.01Å; Q353-V396 HydrophobicContact CG-CG2 4.01Å; V378-V396 CarbonylContact C-O 3.56Å; L379-V396 PolarHBondContact N-O 3.43Å; E380-V396 HydrophobicContact CB-CB 4.12Å; E380-V396 HydrophobicContact CB-CG2 4.01Å; E380-V396 PolarHBondContact N-O 3.5Å; E380-V396 WeakPolarHBondContact O-CB 3.5Å; E380-V396 WeakPolarHBondContact O-CG2 3.44Å; E380-V396 PolarHBondContact O-N 3.49Å
397F90.1Very high81Confident0 Ų056.2 Ų56.20%030%0.295CS..EExtended strand (participates in β ladder)trans-94.7167.9174-65.1-88000110.4H352 L354 F372 G376 N377 V378 V395 D399 P402 V403 I406H352-F397 PolarHBondContact O-N 2.92Å; L354-F397 HydrophobicContact CB-CE2 4.01Å; L354-F397 HydrophobicContact CD2-CE2 4.02Å; L354-F397 HydrophobicContact CD2-CZ 4.48Å; F372-F397 HydrophobicContact CB-CE1 4.26Å; F372-F397 HydrophobicContact CB-CZ 3.94Å; F372-F397 HydrophobicContact CD1-CZ 4.22Å; F372-F397 HydrophobicContact CG-CZ 4.28Å; G376-F397 WeakPolarHBondContact O-CE1 3.36Å; N377-F397 WeakPolarHBondContact O-CA 3.27Å; V378-F397 HydrophobicContact CG2-CD1 4.04Å; V378-F397 HydrophobicContact CG2-CE1 3.63Å; V378-F397 HydrophobicContact CG2-CZ 4.26Å; V395-F397 HydrophobicContact CB-CE2 4.12Å; V395-F397 HydrophobicContact CG1-CD2 4.36Å; V395-F397 HydrophobicContact CG1-CE1 4.48Å; V395-F397 HydrophobicContact CG1-CE2 3.77Å; V395-F397 HydrophobicContact CG1-CZ 3.85Å; F397-D399 WeakPolarHBondContact CB-O 3.11Å; F397-P402 HydrophobicContact CB-CB 4.35Å; F397-P402 HydrophobicContact CB-CG 4.28Å; F397-P402 HydrophobicContact CD1-CB 3.53Å; F397-P402 HydrophobicContact CD1-CG 3.98Å; F397-P402 HydrophobicContact CD2-CB 4.31Å; F397-P402 HydrophobicContact CE1-CB 3.79Å; F397-P402 HydrophobicContact CG-CB 3.8Å; F397-P402 HydrophobicContact CG-CG 4.22Å; F397-P402 HydrophobicContact CZ-CB 4.29Å; F397-V403 HydrophobicContact CD2-CG2 3.64Å; F397-V403 HydrophobicContact CE2-CG2 4.18Å; F397-V403 HydrophobicContact CG-CG2 4.49Å; F397-I406 HydrophobicContact CE1-CD1 4.25Å; F397-I406 HydrophobicContact CE2-CD1 3.92Å; F397-I406 HydrophobicContact CZ-CD1 3.44Å; F397-I406 VanDerWaalsContact CZ-CD1 3.44Å
398D88.2Confident81.9Confident58 Ų5858 Ų5831%0.3130%0.297SS..SBendtrans-71.5-42.6166.748.7-2.2000112.2H352 N377 L379H352-D398 PolarHBondContact CE1-O 2.68Å; H352-D398 PolarHBondContact ND1-O 2.87Å; N377-D398 WeakPolarHBondContact CB-OD2 3.24Å; N377-D398 PolarHBondContact ND2-OD2 2.89Å; N377-D398 PolarHBondContact O-N 3.37Å; L379-D398 HydrophobicContact CD1-CB 3.96Å; L379-D398 HydrophobicContact CD2-CB 4.29Å; L379-D398 HydrophobicContact CG-CB 4.09Å
399D85.4Confident82.9Confident95 Ų9552.3 Ų52.351%0.50828%0.278SS..SBendtrans-112.8171.5179.5-72.3-45.7000114.3F397 P402F397-D399 WeakPolarHBondContact CB-O 3.11Å; D399-P402 WeakPolarHBondContact O-CD 3.45Å
400S84.8Confident83.6Confident42 Ų4252 Ų5229%0.29427%0.271SS..SBendtrans-87.4-22.9173.657.10000114.2P402 V403 Q404S400-P402 VanDerWaalsContact C-CD 3.45Å; S400-V403 WeakPolarHBondContact O-CB 3.49Å; S400-V403 PolarHBondContact O-N 3.29Å; S400-V403 VanDerWaalsContact O-N 3.15Å; S400-Q404 PolarHBondContact O-N 2.86Å
401E86.7Confident83.7Confident110 Ų11052.5 Ų52.551%0.51427%0.274SS..Hα-helixtrans-56.2-42178.2-69.4-170.9-15900113.8V403 Q404 K405E401-V403 VanDerWaalsContact C-N 3.29Å; E401-V403 PolarHBondContact O-N 3.18Å; E401-Q404 PolarHBondContact O-N 3.21Å; E401-K405 WeakPolarHBondContact O-CB 3.42Å; E401-K405 VanDerWaalsContact O-CG 3.26Å; E401-K405 WeakPolarHBondContact O-CG 3.5Å; E401-K405 PolarHBondContact O-N 2.95Å; E401-K405 WeakPolarHBondContact OE2-CE 3.35Å; E401-K405 IonicContact OE2-NZ 3.14Å; E401-K405 PolarHBondContact OE2-NZ 3.07Å
402P85.9Confident83.7Confident7 Ų752.6 Ų52.65%0.04528%0.275CS..Hα-helixtrans-60.3-42.2177.1-24.236.6000111.2Y375 F397 D399 S400 Q404 K405 I406Y375-P402 WeakPolarHBondContact O-CB 3.37Å; F397-P402 HydrophobicContact CB-CB 4.35Å; F397-P402 HydrophobicContact CB-CG 4.28Å; F397-P402 HydrophobicContact CD1-CB 3.53Å; F397-P402 HydrophobicContact CD1-CG 3.98Å; F397-P402 HydrophobicContact CD2-CB 4.31Å; F397-P402 HydrophobicContact CE1-CB 3.79Å; F397-P402 HydrophobicContact CG-CB 3.8Å; F397-P402 HydrophobicContact CG-CG 4.22Å; F397-P402 HydrophobicContact CZ-CB 4.29Å; D399-P402 WeakPolarHBondContact O-CD 3.45Å; S400-P402 VanDerWaalsContact C-CD 3.45Å; P402-Q404 PolarHBondContact O-N 2.88Å; P402-K405 PolarHBondContact O-N 3.08Å; P402-I406 WeakPolarHBondContact O-CB 3.39Å; P402-I406 VanDerWaalsContact O-CD1 3.29Å; P402-I406 WeakPolarHBondContact O-CD1 3.36Å; P402-I406 WeakPolarHBondContact O-CG1 3.39Å; P402-I406 PolarHBondContact O-N 3.1Å
403V85.4Confident83.3Confident3 Ų355.1 Ų55.12%0.01829%0.285CS..Hα-helixtrans-59.9-46.3177.3175.80000110.5L354 F397 S400 E401 L407L354-V403 HydrophobicContact CB-CG2 4.48Å; L354-V403 HydrophobicContact CD1-CB 4.42Å; L354-V403 HydrophobicContact CD1-CG1 3.91Å; L354-V403 HydrophobicContact CD1-CG2 4.42Å; F397-V403 HydrophobicContact CD2-CG2 3.64Å; F397-V403 HydrophobicContact CE2-CG2 4.18Å; F397-V403 HydrophobicContact CG-CG2 4.49Å; S400-V403 WeakPolarHBondContact O-CB 3.49Å; S400-V403 PolarHBondContact O-N 3.29Å; S400-V403 VanDerWaalsContact O-N 3.15Å; E401-V403 VanDerWaalsContact C-N 3.29Å; E401-V403 PolarHBondContact O-N 3.18Å; V403-L407 HydrophobicContact CG1-CD1 3.76Å; V403-L407 HydrophobicContact CG1-CG 4.45Å; V403-L407 WeakPolarHBondContact O-CB 3.26Å; V403-L407 WeakPolarHBondContact O-CD1 3.34Å; V403-L407 WeakPolarHBondContact O-CG 3.22Å; V403-L407 PolarHBondContact O-N 3.24Å
404Q83.3Confident82.7Confident117 Ų11755.3 Ų55.355%0.54729%0.286SS..Hα-helixtrans-64.7-49.8177-70.5174.3-40.600112.4S400 E401 P402 I406 L407 S408S400-Q404 PolarHBondContact O-N 2.86Å; E401-Q404 PolarHBondContact O-N 3.21Å; P402-Q404 PolarHBondContact O-N 2.88Å; Q404-I406 VanDerWaalsContact C-N 3.26Å; Q404-I406 PolarHBondContact O-N 2.82Å; Q404-L407 WeakPolarHBondContact O-CA 3.12Å; Q404-L407 PolarHBondContact O-N 3.41Å; Q404-S408 PolarHBondContact O-N 2.98Å; Q404-S408 PolarHBondContact O-OG 3.47Å
405K84.3Confident81.8Confident99 Ų9959.5 Ų59.543%0.4330%0.3SS..Hα-helixtrans-57.2-39.8178.4-69.9165.1-171.21700111.9E401 P402 N409E401-K405 WeakPolarHBondContact O-CB 3.42Å; E401-K405 VanDerWaalsContact O-CG 3.26Å; E401-K405 WeakPolarHBondContact O-CG 3.5Å; E401-K405 PolarHBondContact O-N 2.95Å; E401-K405 WeakPolarHBondContact OE2-CE 3.35Å; E401-K405 IonicContact OE2-NZ 3.14Å; E401-K405 PolarHBondContact OE2-NZ 3.07Å; P402-K405 PolarHBondContact O-N 3.08Å; K405-N409 WeakPolarHBondContact O-CB 3.32Å; K405-N409 PolarHBondContact O-N 3.07Å; K405-N409 PolarHBondContact O-ND2 2.91Å
406I84.9Confident80.5Confident0 Ų061.7 Ų61.70%032%0.323CS..Hα-helixtrans-67.7-38.7174-72.2168.4000111.6L354 F372 Y375 F397 P402 Q404 I412 V422L354-I406 HydrophobicContact CD1-CG2 3.86Å; L354-I406 HydrophobicContact CD2-CD1 4.01Å; L354-I406 HydrophobicContact CD2-CG2 3.81Å; L354-I406 HydrophobicContact CG-CG2 4.45Å; F372-I406 HydrophobicContact CD1-CD1 3.7Å; F372-I406 HydrophobicContact CE1-CD1 4.1Å; F372-I406 HydrophobicContact CE1-CG2 4.33Å; Y375-I406 HydrophobicContact CD1-CG1 3.63Å; Y375-I406 HydrophobicContact CD2-CD1 4.24Å; Y375-I406 HydrophobicContact CD2-CG1 3.98Å; Y375-I406 HydrophobicContact CE1-CG1 4.23Å; Y375-I406 HydrophobicContact CG-CD1 3.94Å; Y375-I406 HydrophobicContact CG-CG1 3.48Å; Y375-I406 VanDerWaalsContact CG-CG1 3.48Å; F397-I406 HydrophobicContact CE1-CD1 4.25Å; F397-I406 HydrophobicContact CE2-CD1 3.92Å; F397-I406 HydrophobicContact CZ-CD1 3.44Å; F397-I406 VanDerWaalsContact CZ-CD1 3.44Å; P402-I406 WeakPolarHBondContact O-CB 3.39Å; P402-I406 VanDerWaalsContact O-CD1 3.29Å; P402-I406 WeakPolarHBondContact O-CD1 3.36Å; P402-I406 WeakPolarHBondContact O-CG1 3.39Å; P402-I406 PolarHBondContact O-N 3.1Å; Q404-I406 VanDerWaalsContact C-N 3.26Å; Q404-I406 PolarHBondContact O-N 2.82Å; I406-I412 HydrophobicContact CB-CD1 4.16Å; I406-I412 HydrophobicContact CG2-CD1 3.45Å; I406-I412 VanDerWaalsContact CG2-CD1 3.45Å; I406-I412 WeakPolarHBondContact O-CD1 3.28Å; I406-V422 HydrophobicContact CG2-CB 4.46Å; I406-V422 HydrophobicContact CG2-CG1 3.56Å
407L82.4Confident79.4Confident41 Ų4168.6 Ų68.622%0.21536%0.36CS..Hα-helixtrans-72.1-31.8-179.8-72.8168.6000113.1V403 Q404 K410 V422 E424V403-L407 HydrophobicContact CG1-CD1 3.76Å; V403-L407 HydrophobicContact CG1-CG 4.45Å; V403-L407 WeakPolarHBondContact O-CB 3.26Å; V403-L407 WeakPolarHBondContact O-CD1 3.34Å; V403-L407 WeakPolarHBondContact O-CG 3.22Å; V403-L407 PolarHBondContact O-N 3.24Å; Q404-L407 WeakPolarHBondContact O-CA 3.12Å; Q404-L407 PolarHBondContact O-N 3.41Å; L407-K410 VanDerWaalsContact CD2-NZ 3.35Å; L407-K410 VanDerWaalsContact O-CD 3.23Å; L407-K410 WeakPolarHBondContact O-CD 3.44Å; L407-K410 WeakPolarHBondContact O-CE 3.42Å; L407-K410 VanDerWaalsContact O-CG 3.3Å; L407-K410 WeakPolarHBondContact O-CG 3.16Å; L407-V422 HydrophobicContact CD2-CG1 4.41Å; L407-E424 HydrophobicContact CD1-CB 4.11Å
408S81Confident78.6Confident101 Ų10170.6 Ų70.671%0.70637%0.372SS*.Hα-helixtrans-75.4-37.9174.2-53.10000112.5Q404 K410Q404-S408 PolarHBondContact O-N 2.98Å; Q404-S408 PolarHBondContact O-OG 3.47Å; S408-K410 PolarHBondContact O-N 3.43Å
409N76.6Confident78.1Confident100 Ų10075.6 Ų75.654%0.53539%0.387SS..SBendtrans-75.435.7-179.4-79.5-71.1000114.6K405 I412K405-N409 WeakPolarHBondContact O-CB 3.32Å; K405-N409 PolarHBondContact O-N 3.07Å; K405-N409 PolarHBondContact O-ND2 2.91Å; N409-I412 VanDerWaalsContact O-CG1 3.25Å; N409-I412 WeakPolarHBondContact O-CG1 3.39Å
410K75.1Confident77.9Confident111 Ų11171.5 Ų71.548%0.48337%0.365SS..PPolyproline II helixtrans-80.9137176.3-71.7173.4-172.1-179.40110.8L407 S408 V422L407-K410 VanDerWaalsContact CD2-NZ 3.35Å; L407-K410 VanDerWaalsContact O-CD 3.23Å; L407-K410 WeakPolarHBondContact O-CD 3.44Å; L407-K410 WeakPolarHBondContact O-CE 3.42Å; L407-K410 VanDerWaalsContact O-CG 3.3Å; L407-K410 WeakPolarHBondContact O-CG 3.16Å; S408-K410 PolarHBondContact O-N 3.43Å; K410-V422 WeakPolarHBondContact CE-O 3.49Å; K410-V422 PolarHBondContact NZ-O 2.83Å
411P68.1Low77.8Confident82 Ų8273.1 Ų73.153%0.53237%0.37SS..SBendcis-92.4121.9733.7-32.2000113.7K413P411-K413 PolarHBondContact O-N 2.9Å
412I77.8Confident77.7Confident6 Ų668 Ų683%0.03135%0.347CS..PPolyproline II helixtrans-69.8127.8174.5-67.7-176.6000110.6F371 I406 N409 L420 V422F371-I412 HydrophobicContact CE1-CG2 3.63Å; F371-I412 HydrophobicContact CZ-CG2 3.67Å; I406-I412 HydrophobicContact CB-CD1 4.16Å; I406-I412 HydrophobicContact CG2-CD1 3.45Å; I406-I412 VanDerWaalsContact CG2-CD1 3.45Å; I406-I412 WeakPolarHBondContact O-CD1 3.28Å; N409-I412 VanDerWaalsContact O-CG1 3.25Å; N409-I412 WeakPolarHBondContact O-CG1 3.39Å; I412-L420 PolarHBondContact O-N 2.84Å; I412-L420 VanDerWaalsContact O-N 3.09Å; I412-V422 HydrophobicContact CD1-CG2 4.5Å
413K77.4Confident77.4Confident119 Ų11972 Ų7252%0.51737%0.365SS..EExtended strand (participates in β ladder)trans-111.7118.6175.8-52.4-174-160.7168.50110.7P411 G416 V418P411-K413 PolarHBondContact O-N 2.9Å; K413-G416 WeakPolarHBondContact CD-O 3.27Å; K413-V418 CarbonylContact C-O 3.5Å; K413-V418 VanDerWaalsContact CA-O 3.32Å; K413-V418 WeakPolarHBondContact CA-O 3.48Å
414F72.8Confident77.3Confident6 Ų676 Ų763%0.02638%0.383CS..EExtended strand (participates in β ladder)trans-90.8136.8171.8-175.3-91.7000109.8V363 E367 L368 F371 G416 V418 L420V363-F414 HydrophobicContact CB-CE1 4.32Å; V363-F414 HydrophobicContact CG1-CE1 3.82Å; V363-F414 HydrophobicContact CG1-CZ 3.76Å; V363-F414 HydrophobicContact CG2-CD1 4.09Å; V363-F414 HydrophobicContact CG2-CE1 3.45Å; V363-F414 VanDerWaalsContact CG2-CE1 3.45Å; V363-F414 HydrophobicContact CG2-CZ 4.22Å; E367-F414 HydrophobicContact CB-CZ 3.96Å; L368-F414 HydrophobicContact CD1-CD2 4.1Å; L368-F414 HydrophobicContact CD1-CE2 3.99Å; F371-F414 HydrophobicContact CB-CD2 4.02Å; F371-F414 HydrophobicContact CB-CE2 3.76Å; F371-F414 HydrophobicContact CD1-CD2 4.01Å; F371-F414 AromaticContact CD2-CD2 3.88Å; F371-F414 HydrophobicContact CD2-CD2 3.88Å; F371-F414 HydrophobicContact CD2-CE2 4.3Å; F371-F414 HydrophobicContact CE2-CD2 4.38Å; F371-F414 AromaticContact CG-CD2 3.68Å; F371-F414 HydrophobicContact CG-CD2 3.68Å; F371-F414 AromaticContact CG-CE2 3.96Å; F371-F414 HydrophobicContact CG-CE2 3.96Å; F414-G416 PolarHBondContact O-N 2.95Å; F414-G416 VanDerWaalsContact O-N 3.1Å; F414-V418 PolarHBondContact N-O 3.21Å; F414-V418 WeakPolarHBondContact O-CB 3.17Å; F414-V418 PolarHBondContact O-N 3.42Å; F414-V418 VanDerWaalsContact O-N 3.08Å; F414-L420 HydrophobicContact CB-CD1 3.79Å; F414-L420 HydrophobicContact CB-CD2 4.22Å; F414-L420 HydrophobicContact CB-CG 3.79Å; F414-L420 HydrophobicContact CD2-CD1 4.34Å; F414-L420 HydrophobicContact CG-CD1 4.33Å
415R69.8Low76.7Confident144 Ų14472.6 Ų72.654%0.54337%0.366SS..THydrogen-bonded Turntrans47.633.4-172.8-68.4174175.4-168.9-0.9113.7E367 D417E367-R415 IonicContact OE1-CZ 3.77Å; E367-R415 IonicContact OE1-NH2 2.74Å; E367-R415 PolarHBondContact OE1-NH2 2.99Å; E367-R415 IonicContact OE2-CZ 3.21Å; E367-R415 IonicContact OE2-NE 2.94Å; E367-R415 PolarHBondContact OE2-NE 2.93Å; E367-R415 IonicContact OE2-NH2 2.7Å; E367-R415 PolarHBondContact OE2-NH2 2.87Å; R415-D417 PolarHBondContact O-N 3.27Å
416G62.3Low75.6Confident48 Ų4876.5 Ų76.550%0.49538%0.383SS..THydrogen-bonded Turntrans76.6-45.6178.700000115.7K413 F414K413-G416 WeakPolarHBondContact CD-O 3.27Å; F414-G416 PolarHBondContact O-N 2.95Å; F414-G416 VanDerWaalsContact O-N 3.1Å
417D66.1Low73.9Confident151 Ų15179.2 Ų79.281%0.80740%0.4SS*.THydrogen-bonded Turntrans-97.2-30.7-171.1-66.3-40.6000114.5R415 R419R415-D417 PolarHBondContact O-N 3.27Å; D417-R419 PolarHBondContact O-N 2.9Å
418V73Confident72.5Confident42 Ų4287.4 Ų87.426%0.25543%0.428SS..EExtended strand (participates in β ladder)trans-88.2114.4-172.3-178.70000110.7P360 K413 F414 L420P360-V418 HydrophobicContact CG-CB 4.32Å; P360-V418 HydrophobicContact CG-CG1 3.69Å; P360-V418 HydrophobicContact CG-CG2 3.88Å; K413-V418 CarbonylContact C-O 3.5Å; K413-V418 VanDerWaalsContact CA-O 3.32Å; K413-V418 WeakPolarHBondContact CA-O 3.48Å; F414-V418 PolarHBondContact N-O 3.21Å; F414-V418 WeakPolarHBondContact O-CB 3.17Å; F414-V418 PolarHBondContact O-N 3.42Å; F414-V418 VanDerWaalsContact O-N 3.08Å; V418-L420 HydrophobicContact CG1-CD2 4.37Å; V418-L420 PolarHBondContact O-N 3.07Å
419R77.9Confident70.8Confident163 Ų16386.7 Ų86.762%0.61542%0.423SS*.EExtended strand (participates in β ladder)trans-76.6115.5169.7-59.2-175.3-170.3-157.61.9110.1N358 D417N358-R419 PolarHBondContact ND2-O 2.79Å; D417-R419 PolarHBondContact O-N 2.9Å
420L81.5Confident69.5Low10 Ų1086.1 Ų86.15%0.05243%0.432CS..  trans-80.3135.9169.3-63.2-178.6000109V356 V359 L368 F372 I412 F414 V418 V422V356-L420 HydrophobicContact CG1-CB 4.28Å; V356-L420 HydrophobicContact CG1-CD1 3.99Å; V356-L420 HydrophobicContact CG1-CD2 4.32Å; V356-L420 HydrophobicContact CG1-CG 4.44Å; V359-L420 HydrophobicContact CG2-CD2 4.27Å; L368-L420 HydrophobicContact CD1-CD1 4.06Å; F372-L420 HydrophobicContact CZ-CD1 4.1Å; I412-L420 PolarHBondContact O-N 2.84Å; I412-L420 VanDerWaalsContact O-N 3.09Å; F414-L420 HydrophobicContact CB-CD1 3.79Å; F414-L420 HydrophobicContact CB-CD2 4.22Å; F414-L420 HydrophobicContact CB-CG 3.79Å; F414-L420 HydrophobicContact CD2-CD1 4.34Å; F414-L420 HydrophobicContact CG-CD1 4.33Å; V418-L420 HydrophobicContact CG1-CD2 4.37Å; V418-L420 PolarHBondContact O-N 3.07Å; L420-V422 HydrophobicContact CB-CG2 3.98Å
421N81.1Confident68.2Low76 Ų7690 Ų9041%0.40644%0.444SS..EExtended strand (participates in β ladder)trans-89117.7170-178.752000108.9V356 G357 N358 E423V356-N421 CarbonylContact C-O 3.58Å; G357-N421 PolarHBondContact N-O 3.05Å; G357-N421 PolarHBondContact O-N 3.16Å; N358-N421 HydrophobicContact CB-CB 4.49Å; N421-E423 PolarHBondContact ND2-OE1 2.73Å
422V84.6Confident67.2Low3 Ų390.6 Ų90.62%0.01844%0.439CS..EExtended strand (participates in β ladder)trans-122.5126-170.9-172.60000111.4L354 F355 I406 L407 K410 I412 L420L354-V422 HydrophobicContact CD1-CG1 3.43Å; L354-V422 VanDerWaalsContact CD1-CG1 3.43Å; L354-V422 HydrophobicContact CD2-CG1 3.7Å; L354-V422 HydrophobicContact CG-CG1 3.56Å; F355-V422 WeakPolarHBondContact O-CA 3.41Å; I406-V422 HydrophobicContact CG2-CB 4.46Å; I406-V422 HydrophobicContact CG2-CG1 3.56Å; L407-V422 HydrophobicContact CD2-CG1 4.41Å; K410-V422 WeakPolarHBondContact CE-O 3.49Å; K410-V422 PolarHBondContact NZ-O 2.83Å; I412-V422 HydrophobicContact CD1-CG2 4.5Å; L420-V422 HydrophobicContact CB-CG2 3.98Å
423E80.9Confident65.6Low91 Ų9192.7 Ų92.743%0.42546%0.462SS..EExtended strand (participates in β ladder)trans-139.1155.6-175.2-62.3174.6-144.300110.8F355 N421F355-E423 HydrophobicContact CB-CB 4.41Å; F355-E423 HydrophobicContact CD1-CB 4.14Å; F355-E423 HydrophobicContact CD1-CG 4.49Å; F355-E423 PolarHBondContact N-O 3.06Å; F355-E423 PolarHBondContact O-N 3.34Å; N421-E423 PolarHBondContact ND2-OE1 2.73Å
424E82.4Confident64.3Low87 Ų8793.6 Ų93.641%0.40747%0.473SS..EExtended strand (participates in β ladder)trans-70.4141.3169-162.9-156.7163.400110.2L407 K426L407-E424 HydrophobicContact CD1-CB 4.11Å; E424-K426 VanDerWaalsContact C-N 3.34Å; E424-K426 PolarHBondContact O-N 2.8Å
425K70.5Confident63.3Low45 Ų45102.3 Ų102.320%0.19651%0.506CS..  trans-73.881.8-178.2-172.7176.5125.1-79.50112.4D350 Q353 F394 T427D350-K425 IonicContact OD1-NZ 2.74Å; D350-K425 PolarHBondContact OD1-NZ 3.33Å; Q353-K425 HydrophobicContact CB-CB 3.91Å; Q353-K425 HydrophobicContact CB-CD 3.98Å; Q353-K425 WeakPolarHBondContact O-CB 3.21Å; Q353-K425 PolarHBondContact O-N 2.68Å; Q353-K425 VanDerWaalsContact OE1-CE 3.27Å; F394-K425 HydrophobicContact CD1-CD 3.53Å; F394-K425 HydrophobicContact CD1-CG 4.08Å; F394-K425 HydrophobicContact CE1-CD 3.76Å; F394-K425 HydrophobicContact CE1-CG 3.98Å; F394-K425 HydrophobicContact CG-CD 4.42Å; K425-T427 PolarHBondContact O-N 2.94Å
426K61.7Low62.2Low181 Ų181104 Ų10479%0.78751%0.512SS*.  trans-53.5129173.9-70.1-174175.8-1770111.9E424E424-K426 VanDerWaalsContact C-N 3.34Å; E424-K426 PolarHBondContact O-N 2.8Å
427T49.5Very low61.6Low57 Ų57108.6 Ų108.635%0.3553%0.525SS..  trans-63.2146.8-165720000113.8D350 K425 S429 A430D350-T427 HydrophobicContact CB-CG2 3.82Å; K425-T427 PolarHBondContact O-N 2.94Å; T427-S429 WeakPolarHBondContact CB-OG 3.31Å; T427-S429 PolarHBondContact O-N 2.71Å; T427-S429 VanDerWaalsContact O-N 3.12Å; T427-S429 PolarHBondContact OG1-OG 3.21Å; T427-A430 PolarHBondContact O-N 2.96Å
428R52.9Low60.5Low213 Ų213109.4 Ų109.480%0.80453%0.526SS*.G310 helixtrans-62.5-21.4178.4-136.4-175.3-159.9-169.47113.4A430 R431 E432R428-A430 VanDerWaalsContact C-N 3.33Å; R428-A430 PolarHBondContact O-N 2.72Å; R428-R431 CarbonylContact O-C 3.59Å; R428-R431 WeakPolarHBondContact O-CA 3.25Å; R428-R431 PolarHBondContact O-N 2.67Å; R428-E432 PolarHBondContact O-N 2.7Å
429S45.5Very low59.1Low85 Ų85118.5 Ų118.559%0.59456%0.556SS**G310 helixtrans-55.1-43.2178.3-7.40000112.6T427 R431 E432 G433T427-S429 WeakPolarHBondContact CB-OG 3.31Å; T427-S429 PolarHBondContact O-N 2.71Å; T427-S429 VanDerWaalsContact O-N 3.12Å; T427-S429 PolarHBondContact OG1-OG 3.21Å; S429-R431 PolarHBondContact O-N 2.85Å; S429-E432 PolarHBondContact O-N 2.95Å; S429-E432 VanDerWaalsContact O-N 3.07Å; S429-G433 PolarHBondContact O-N 3.01Å
430A47.6Very low57.4Low88 Ų88116.5 Ų116.573%0.72756%0.564SS**G310 helixtrans-61.2-17.2176.900000113.3T427 R428T427-A430 PolarHBondContact O-N 2.96Å; R428-A430 VanDerWaalsContact C-N 3.33Å; R428-A430 PolarHBondContact O-N 2.72Å
431R49.3Very low55.6Low193 Ų193127.6 Ų127.673%0.72861%0.606SS**G310 helixtrans-109.70.9179.8-150.5175.6-170.8175.74.3113.7R428 S429R428-R431 CarbonylContact O-C 3.59Å; R428-R431 WeakPolarHBondContact O-CA 3.25Å; R428-R431 PolarHBondContact O-N 2.67Å; S429-R431 PolarHBondContact O-N 2.85Å
432E47.1Very low53.3Low94 Ų94127 Ų12744%0.43962%0.617SS.*THydrogen-bonded Turntrans-112.3-26.8179.1-158.3-177.512300113.4R428 S429 D434 R435 R436R428-E432 PolarHBondContact O-N 2.7Å; S429-E432 PolarHBondContact O-N 2.95Å; S429-E432 VanDerWaalsContact O-N 3.07Å; E432-D434 VanDerWaalsContact C-N 3.33Å; E432-D434 PolarHBondContact O-N 2.77Å; E432-R435 PolarHBondContact O-N 3.44Å; E432-R435 VanDerWaalsContact O-N 3.16Å; E432-R436 IonicContact OE1-CZ 3.39Å; E432-R436 IonicContact OE1-NE 2.72Å; E432-R436 IonicContact OE1-NH2 3.21Å; E432-R436 PolarHBondContact OE1-NH2 2.85Å
433G43.9Very low51.5Low50 Ų50133.6 Ų133.652%0.51566%0.66SS.*G310 helixtrans-54.5-48.2172.300000112.4S429 R435S429-G433 PolarHBondContact O-N 3.01Å; G433-R435 PolarHBondContact O-N 2.81Å
434D49.2Very low49.3Very low139 Ų139133.1 Ų133.174%0.74368%0.68SS**G310 helixtrans-64.1-9.6179.8-173.258.1000114.9E432E432-D434 VanDerWaalsContact C-N 3.33Å; E432-D434 PolarHBondContact O-N 2.77Å
435R52.8Low47.1Very low189 Ų189132.6 Ų132.671%0.71370%0.697SS**G310 helixtrans-103.20.6-171.6-72.1-174.5168.7-166.7-5.2115.7E432 G433E432-R435 PolarHBondContact O-N 3.44Å; E432-R435 VanDerWaalsContact O-N 3.16Å; G433-R435 PolarHBondContact O-N 2.81Å
436R47.2Very low46.1Very low179 Ų179136.8 Ų136.868%0.67573%0.729SS**SBendtrans-99.5-26178.5-67.2-176.2-156.7169.75.9114.3E432E432-R436 IonicContact OE1-CZ 3.39Å; E432-R436 IonicContact OE1-NE 2.72Å; E432-R436 IonicContact OE1-NH2 3.21Å; E432-R436 PolarHBondContact OE1-NH2 2.85Å
437D49.1Very low44.8Very low145 Ų145132 Ų13278%0.77573%0.732SS**SBendtrans-94.79-170.2-66.2-64.5000115.7
438M42.3Very low44.1Very low168 Ų168133 Ų13383%0.82875%0.753SS**  trans-118.447.9172.8-85.7-68.5173.900114.2P440M438-P440 WeakPolarHBondContact O-CD 3.43Å
439R42.9Very low44.2Very low232 Ų232129.2 Ų129.288%0.87576%0.756SS**  trans-97.5102.3146.3-80.6-167176.1-1550.7108.8R441R439-R441 PolarHBondContact O-N 3.12Å
440P44.1Very low43.7Very low122 Ų122135.2 Ų135.279%0.79277%0.765SS**  trans-6993.1179.527.4-34000111M438M438-P440 WeakPolarHBondContact O-CD 3.43Å
441R43.2Very low43Very low243 Ų243137.6 Ų137.692%0.91776%0.761SS**PPolyproline II helixtrans-76.4126.7162.5-168.7171.8-174.3135.31.8107.6R439R439-R441 PolarHBondContact O-N 3.12Å
442G33.3Very low42.7Very low63 Ų63140 Ų14065%0.64977%0.77SS**PPolyproline II helixtrans-59.7162.2-170.700000115.2
443P46.3Very low42.2Very low142 Ų142143.8 Ų143.892%0.92279%0.792SS**PPolyproline II helixtrans-76148.2-161.730.7-37.2000114.5
444G34.8Very low41.7Very low81 Ų81145 Ų14584%0.83580%0.804SS**  trans165.897.7170.400000112.9
445G35.6Very low41Very low75 Ų75142.2 Ų142.277%0.77381%0.809SS**  trans-101.2-161.1158.600000110.6
446P50Low40Very low134 Ų134137.3 Ų137.387%0.8782%0.817SS**  cis-130.3159.3-10.539.2-24.6000114.7
447G33.4Very low39.2Very low81 Ų81133 Ų13384%0.83583%0.828SS**  trans90161.6152.200000119.1
448G34.7Very low38.4Very low77 Ų77129.7 Ų129.779%0.79483%0.828SS**  trans84.1113.7159.600000117.7
449P55.7Low38.9Very low133 Ų133127.6 Ų127.686%0.86483%0.827SS**  trans-82.8146.2160.734.2-31.9000111
450R34.2Very low38.5Very low211 Ų211128.8 Ų128.880%0.79683%0.832SS**  trans162.3145.6137.2-175160.9-174.4132.618113.6
451E34.7Very low38Very low139 Ų139126.4 Ų126.465%0.6583%0.829SS**  trans35.7102.1160-71.1153.7-177.800122.1I453E451-I453 PolarHBondContact O-N 3.35Å
452R42.3Very low38.6Very low242 Ų242120.7 Ų120.791%0.91382%0.824SS**  2104.9116.3-177.8-157.7-124.9-132.14.5116.4
453I37.4Very low39.3Very low174 Ų174122.8 Ų122.889%0.89283%0.826SS**  trans-161153.6141.3-105.2154.3000108E451E451-I453 PolarHBondContact O-N 3.35Å
454G33.1Very low38.7Very low75 Ų75121.8 Ų121.877%0.77382%0.818SS**  trans-117.9174.8-163.300000116.5
455G33.5Very low38.6Very low82 Ų82129.9 Ų129.985%0.84582%0.823SS**  trans106151.7148.300000117.9
456G31.8Very low38.4Very low85 Ų85130.1 Ų130.188%0.87683%0.825SS**  trans74.4100.4152.400000118
457G31Very low37.5Very low89 Ų89127.6 Ų127.692%0.91882%0.824SS**  trans-88.5152.7162.900000112.6
458G31.3Very low37.7Very low75 Ų75132.5 Ų132.577%0.77383%0.827SS**  trans-177117.117400000113.2
459P53.6Low37.8Very low125 Ų125133.4 Ų133.481%0.81282%0.821SS**  trans-101.2145-177.836.2-32.2000113.5
460R35.5Very low36.8Very low256 Ų256136.2 Ų136.297%0.96682%0.823SS**  trans-170.9129.6161.1-112.6158-177159.11114.8
461G31.6Very low37Very low72 Ų72135.5 Ų135.574%0.74283%0.825SS**  trans82126.1142.100000120.1
462P57Low37.6Very low124 Ų124134.4 Ų134.481%0.80583%0.831SS**  trans-83166153.838.4-34.7000110.4
463P46.8Very low37.2Very low106 Ų106127.8 Ų127.869%0.68882%0.821SS**  -157.3161.295.842.9-24.2000118.6
464T34.2Very low37.2Very low122 Ų122129.8 Ų129.875%0.74882%0.824SS**  trans52118.4139.657.90000124.8
465R34.1Very low37.2Very low250 Ų250129.1 Ų129.194%0.94382%0.817SS**  70.4122109.7-162.7-175.2-166.51684.4121.1
466G30Very low37.4Very low80 Ų80131.4 Ų131.483%0.82582%0.82SS**  trans121.2145.1163.700000112.4
467G31.8Very low37.5Very low81 Ų81130.9 Ų130.984%0.83581%0.814SS**  cis-154.7-171.70.300000111.9
468M36.6Very low37.8Very low184 Ų184139.1 Ų139.191%0.90682%0.818SS**  trans-98.6173.9-164.7-136.774.7159.300114.7
469S38.3Very low37.9Very low96 Ų96139.4 Ų139.467%0.67182%0.82SS**  trans81.1113.3142.249.50000123.6
470Q33.5Very low37.2Very low192 Ų192138.4 Ų138.490%0.89782%0.823SS**  90.9153.3122.1-68.8179.210.600122.7
471K38Very low37Very low196 Ų196129.7 Ų129.785%0.85281%0.812SS**  trans-99.9-169.1175-50.4179178.4179.30108
472P49.2Very low37.2Very low117 Ų117133.9 Ų133.976%0.7682%0.818SS**  cis-143.9172144-25.2000118.4
473S33.8Very low36.2Very low102 Ų102132 Ų13271%0.71381%0.813SS**  trans43.2113.1136.1-177.30000122.7
474F35.6Very low35.7Very low216 Ų216135.9 Ų135.995%0.94782%0.822SS**  trans-153.5156.4131.9-88.9-81.4000107.9
475G33.7Very low35.8Very low61 Ų61133.6 Ų133.663%0.62982%0.822SS**  cis148.960.6-7.600000115.8
476S38.2Very low36Very low131 Ų131133 Ų13392%0.91682%0.82SS**  trans-172.4149.9166.5-81.50000111.4
477G34.2Very low36.6Very low73 Ų73140.2 Ų140.275%0.75382%0.824SS**  cis137.776.2-10.500000116
478R36.6Very low37Very low263 Ų263142.1 Ų142.199%0.99283%0.825SS**  trans-164.6150.5162.6-108.8175.1-163.5-160.43.3111
479G34.7Very low37.5Very low80 Ų80138 Ų13883%0.82582%0.82SS**  trans-179.9166.4175.300000115.2
480A37.5Very low38.4Very low104 Ų104139.4 Ų139.486%0.8683%0.827SS**  trans-162.415216600000105.4
481G32.7Very low38.7Very low73 Ų73141.4 Ų141.475%0.75383%0.826SS**  cis104.9122.52500000108.8
482N34.7Very low39Very low160 Ų160144.6 Ų144.686%0.85684%0.844SS**  cis-156143.65.9-163.436.7000112.6
483A35.6Very low38.5Very low85 Ų85146 Ų14670%0.70285%0.848SS**  trans38152.6140.100000125
484E37.3Very low38.8Very low187 Ų187148.3 Ų148.387%0.87486%0.855SS**  trans-80.3156.6178.5-54.7170.3110.500114
485G35.2Very low38.9Very low74 Ų74144.6 Ų144.676%0.76385%0.85SS**  trans-99.7126.6172.100000113.5
486R38Very low39.3Very low238 Ų238149.5 Ų149.590%0.89886%0.863SS**  trans-124.1126.6160.8-71.7-174-179.1-172.60.9109.3
487Y42.7Very low39.3Very low232 Ų232150.6 Ų150.691%0.9186%0.86SS**  trans-112.5141167.7-90.8-86.2000110.2
488S42.2Very low39.7Very low120 Ų120155.8 Ų155.884%0.83987%0.867SS**  trans-107.5155.4170.8-65.80000110.1
489A46.1Very low39.9Very low98 Ų98148.1 Ų148.181%0.8186%0.858SS**  trans-69.6155.1-175.300000113.6
490P57Low40.3Very low125 Ų125153.4 Ų153.481%0.81286%0.861SS**  trans-90.5161.8-172.336.4-36.9000114
491R39.6Very low40.5Very low234 Ų234157.5 Ų157.588%0.88386%0.861SS**  trans-154.6123.5153-122.7-176.3-173.2-159.71.3112
492Q45.2Very low41.2Very low264 Ų264165.2 Ų165.2100%1.23487%0.871SS**  trans54.50168-66.6-177.9-43.700116.3

Retrieved 492 of 492 residues in 219.3 ms (Link to these results)

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