A0A087XTR7_POEFO Loading...

1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase

AlphaFold DB , UniProt , Accession A0A087XTR7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,186 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
1M31.4Very low64.1Low217 Ų217126.9 Ų126.9100%1.06960%0.604SS**  0119.50-64174.6-175.600108.9K3M1-K3 VanDerWaalsContact C-N 3.34Å; M1-K3 PolarHBondContact O-N 3.13Å
2N28.8Very low66.3Low171 Ų171129.2 Ų129.291%0.91461%0.613SS**  trans-81.479.1176.2-78.10.5000111.2K4N2-K4 PolarHBondContact O-N 3.22Å; N2-K4 VanDerWaalsContact O-N 3.08Å
3K46.4Very low68.5Low189 Ų189121 Ų12182%0.82258%0.577SS**  trans-63106.6156.2-79.5-174.4176.3178.50106.8M1 R5M1-K3 VanDerWaalsContact C-N 3.34Å; M1-K3 PolarHBondContact O-N 3.13Å; K3-R5 PolarHBondContact O-N 3.33Å; K3-R5 VanDerWaalsContact O-N 3.1Å
4K51.3Low70.4Confident169 Ų169117.9 Ų117.974%0.73556%0.56SS**  trans-56.9115.5166.1-69.2-177.9177.3-178.60106.6N2 Y6N2-K4 PolarHBondContact O-N 3.22Å; N2-K4 VanDerWaalsContact O-N 3.08Å; K4-Y6 VanDerWaalsContact O-CD2 3.23Å; K4-Y6 WeakPolarHBondContact O-CD2 3.28Å; K4-Y6 WeakPolarHBondContact O-CE2 3.3Å
5R61.8Low72.1Confident134 Ų134117.1 Ų117.151%0.50656%0.56SS.*  trans-67.6133.8171.5-69.6-173.4-177.91790.6107.9K3 F7 L256 D304K3-R5 PolarHBondContact O-N 3.33Å; K3-R5 VanDerWaalsContact O-N 3.1Å; R5-F7 HydrophobicContact CB-CE1 4.45Å; R5-F7 HydrophobicContact CB-CE2 3.89Å; R5-F7 HydrophobicContact CB-CZ 3.76Å; R5-L256 PolarHBondContact NH2-O 3.46Å; R5-L256 VanDerWaalsContact NH2-O 3.13Å; R5-D304 VanDerWaalsContact CA-OD2 3.24Å; R5-D304 WeakPolarHBondContact CA-OD2 3.36Å; R5-D304 WeakPolarHBondContact CB-OD2 3.47Å
6Y71.8Confident73.5Confident97 Ų97114.2 Ų114.238%0.3854%0.542SS..  trans-104.795.5-173.5-68.2-82.3000109K4 D304 K308 C309K4-Y6 VanDerWaalsContact O-CD2 3.23Å; K4-Y6 WeakPolarHBondContact O-CD2 3.28Å; K4-Y6 WeakPolarHBondContact O-CE2 3.3Å; Y6-D304 PolarHBondContact N-OD2 2.9Å; Y6-D304 WeakPolarHBondContact O-CA 3.5Å; Y6-K308 WeakPolarHBondContact CE1-O 3.32Å; Y6-C309 HydrophobicContact CD2-CB 3.38Å; Y6-C309 VanDerWaalsContact CE2-CA 3.49Å; Y6-C309 HydrophobicContact CE2-CB 3.63Å; Y6-C309 WeakPolarHBondContact CE2-O 3.46Å; Y6-C309 HydrophobicContact CG-CB 3.92Å
7F72.1Confident74.8Confident156 Ų156107.5 Ų107.568%0.68451%0.51SS*.  trans-74.5151.8179.4-57.6-78000111.3R5R5-F7 HydrophobicContact CB-CE1 4.45Å; R5-F7 HydrophobicContact CB-CE2 3.89Å; R5-F7 HydrophobicContact CB-CZ 3.76Å
8L83.1Confident76Confident33 Ų33103.8 Ų103.817%0.17350%0.496CS..  trans-116.9106.8173.2-75.4-178.2000109.3A137 A138 Q303 L306 A307L8-A137 HydrophobicContact CD1-CB 3.86Å; L8-A137 HydrophobicContact CD2-CB 4.08Å; L8-A138 HydrophobicContact CB-CB 4.03Å; L8-Q303 HydrophobicContact CD1-CB 4.28Å; L8-L306 HydrophobicContact CD1-CB 3.67Å; L8-A307 HydrophobicContact CD2-CB 3.71Å; L8-A307 HydrophobicContact CG-CB 4Å
9D83.3Confident77Confident120 Ų120105.7 Ų105.764%0.64250%0.502SS*.PPolyproline II helixtrans-72.2142.5-178-57.7-65.6000112.2N136D9-N136 PolarHBondContact O-ND2 2.95Å
10P85.9Confident77.9Confident91 Ų91101.4 Ų101.459%0.59149%0.487SS*.PPolyproline II helixtrans-55.9151.2167.4-22.933.9000111.6E12P10-E12 PolarHBondContact O-N 2.66Å
11P89.3Confident78.7Confident19 Ų1997.6 Ų97.612%0.12347%0.469CS..PPolyproline II helixtrans-65125.5175.127.1-33.2000111I133 N136 R139P11-I133 HydrophobicContact CB-CB 4.31Å; P11-I133 HydrophobicContact CB-CG1 4.05Å; P11-I133 HydrophobicContact CB-CG2 3.89Å; P11-I133 HydrophobicContact CG-CG2 4.38Å; P11-N136 HydrophobicContact CB-CB 4.28Å; P11-R139 HydrophobicContact CG-CB 4.1Å; P11-R139 HydrophobicContact CG-CG 4.12Å
12E90.3Very high81.8Confident154 Ų15495.1 Ų95.172%0.7245%0.447SS*.PPolyproline II helixtrans-79.4118.1171.4-170.7-169.615600109.7P10P10-E12 PolarHBondContact O-N 2.66Å
13V94.6Very high85Confident23 Ų2387 Ų8714%0.13940%0.404CS..  trans-92.9106.2174.8-173.10000109.2L17 V18 M40 I133V13-L17 HydrophobicContact CG1-CB 4.24Å; V13-L17 HydrophobicContact CG1-CD1 4.31Å; V13-V18 HydrophobicContact CG1-CG2 3.74Å; V13-M40 HydrophobicContact CG1-CB 4.36Å; V13-M40 HydrophobicContact CG1-CG 4.24Å; V13-M40 HydrophobicContact CG1-SD 3.82Å; V13-M40 HydrophobicContact CG2-SD 4.23Å; V13-I133 HydrophobicContact CG2-CD1 4.29Å
14K95.4Very high87.3Confident78 Ų7879.5 Ų79.534%0.33937%0.374SS..  trans-65.6140.6-178.8-65177.6-167.3162.20112Y16 L17 D129K14-Y16 HydrophobicContact CB-CD1 3.88Å; K14-Y16 HydrophobicContact CB-CE1 3.71Å; K14-Y16 HydrophobicContact CD-CE1 3.89Å; K14-Y16 HydrophobicContact CG-CE1 4.47Å; K14-Y16 PolarHBondContact O-N 3.35Å; K14-L17 WeakPolarHBondContact O-CB 3.18Å; K14-L17 PolarHBondContact O-N 3.23Å; K14-D129 VanDerWaalsContact CD-OD2 3.32Å; K14-D129 WeakPolarHBondContact CD-OD2 3.37Å; K14-D129 WeakPolarHBondContact CE-OD1 3.11Å; K14-D129 IonicContact NZ-OD1 2.85Å; K14-D129 PolarHBondContact NZ-OD1 3.19Å; K14-D129 IonicContact NZ-OD2 2.95Å; K14-D129 PolarHBondContact NZ-OD2 3.14Å
15D95.4Very high89.4Confident105 Ų10573.6 Ų73.656%0.56135%0.348SS*.Hα-helixtrans-47.7-35.7-173.5-135.239.2000115V18 K19D15-V18 PolarHBondContact O-N 2.77Å; D15-K19 WeakPolarHBondContact O-CB 3.19Å; D15-K19 WeakPolarHBondContact O-CG 3.49Å; D15-K19 PolarHBondContact O-N 3.04Å; D15-K19 VanDerWaalsContact OD2-CE 3.3Å; D15-K19 WeakPolarHBondContact OD2-CE 3.22Å; D15-K19 IonicContact OD2-NZ 2.85Å; D15-K19 PolarHBondContact OD2-NZ 3.17Å
16Y95.1Very high90.9Very high71 Ų7167.6 Ų67.628%0.27833%0.326SS..Hα-helixtrans-71.3-27.6-179.776.6-99.2000113.3K14 G20 N125 W126 D129K14-Y16 HydrophobicContact CB-CD1 3.88Å; K14-Y16 HydrophobicContact CB-CE1 3.71Å; K14-Y16 HydrophobicContact CD-CE1 3.89Å; K14-Y16 HydrophobicContact CG-CE1 4.47Å; K14-Y16 PolarHBondContact O-N 3.35Å; Y16-G20 WeakPolarHBondContact O-CA 3.17Å; Y16-G20 PolarHBondContact O-N 3.47Å; Y16-N125 WeakPolarHBondContact OH-CB 3.13Å; Y16-N125 PolarHBondContact OH-O 3.18Å; Y16-N125 VanDerWaalsContact OH-O 3.04Å; Y16-W126 HydrophobicContact CD2-CZ2 4.38Å; Y16-W126 AromaticContact CD2-NE1 3.49Å; Y16-W126 AromaticContact CE2-CD1 3.47Å; Y16-W126 VanDerWaalsContact CE2-CD1 3.47Å; Y16-W126 HydrophobicContact CE2-CD2 4.35Å; Y16-W126 AromaticContact CE2-CE2 3.95Å; Y16-W126 HydrophobicContact CE2-CG 4.1Å; Y16-W126 AromaticContact CE2-NE1 3.41Å; Y16-D129 PolarHBondContact OH-OD2 3.07Å
17L95.8Very high91.8Very high0 Ų064.6 Ų64.60%032%0.319CS..Hα-helixtrans-69.9-38174.6-62.2170.7000110.6V13 K14 K39 M40 W126 D129 I133V13-L17 HydrophobicContact CG1-CB 4.24Å; V13-L17 HydrophobicContact CG1-CD1 4.31Å; K14-L17 WeakPolarHBondContact O-CB 3.18Å; K14-L17 PolarHBondContact O-N 3.23Å; L17-K39 CarbonylContact O-C 3.54Å; L17-K39 VanDerWaalsContact O-CA 3.3Å; L17-K39 WeakPolarHBondContact O-CA 3.47Å; L17-M40 HydrophobicContact CB-CB 3.95Å; L17-M40 HydrophobicContact CD1-CE 4.47Å; L17-M40 HydrophobicContact CD1-SD 4.26Å; L17-M40 PolarHBondContact O-N 3.15Å; L17-W126 HydrophobicContact CD2-CD2 3.64Å; L17-W126 HydrophobicContact CD2-CE3 3.63Å; L17-W126 HydrophobicContact CD2-CG 4.17Å; L17-W126 HydrophobicContact CD2-CH2 4.06Å; L17-W126 HydrophobicContact CD2-CZ2 4.09Å; L17-W126 HydrophobicContact CD2-CZ3 3.83Å; L17-D129 HydrophobicContact CD1-CB 4.19Å; L17-I133 HydrophobicContact CD1-CD1 4.19Å
18V96.2Very high92.4Very high41 Ų4161.1 Ų61.125%0.24831%0.305CS..Hα-helixtrans-73.4-45.2178.4-175.50000111.2V13 D15 G20 K39 P42V13-V18 HydrophobicContact CG1-CG2 3.74Å; D15-V18 PolarHBondContact O-N 2.77Å; V18-G20 VanDerWaalsContact C-N 3.29Å; V18-G20 PolarHBondContact O-N 3.15Å; V18-K39 PolarHBondContact O-NZ 3.06Å; V18-P42 HydrophobicContact CG1-CG 3.95Å; V18-P42 HydrophobicContact CG2-CG 4.42Å
19K95.1Very high92.3Very high140 Ų14066.4 Ų66.461%0.60933%0.333SS*.Hα-helixtrans-60.8-40.7173.5-74.2165.6175.8169.40111D15 K39D15-K19 WeakPolarHBondContact O-CB 3.19Å; D15-K19 WeakPolarHBondContact O-CG 3.49Å; D15-K19 PolarHBondContact O-N 3.04Å; D15-K19 VanDerWaalsContact OD2-CE 3.3Å; D15-K19 WeakPolarHBondContact OD2-CE 3.22Å; D15-K19 IonicContact OD2-NZ 2.85Å; D15-K19 PolarHBondContact OD2-NZ 3.17Å; K19-K39 WeakPolarHBondContact O-CE 3Å; K19-K39 PolarHBondContact O-NZ 3.16Å
20G94.6Very high92.4Very high20 Ų2063.5 Ų63.521%0.20632%0.32CS..  trans88166172.800000114Y16 V18 M38Y16-G20 WeakPolarHBondContact O-CA 3.17Å; Y16-G20 PolarHBondContact O-N 3.47Å; V18-G20 VanDerWaalsContact C-N 3.29Å; V18-G20 PolarHBondContact O-N 3.15Å; G20-M38 CarbonylContact C-O 3.48Å; G20-M38 WeakPolarHBondContact CA-O 3.37Å
21E95.9Very high92.3Very high22 Ų2262.8 Ų62.810%0.10331%0.314CS..EExtended strand (participates in β ladder)trans-136.6155.4-179.4-175.260.3-96.500111.5F23 M38 K119 V122 W126E21-F23 HydrophobicContact CB-CD2 4.38Å; E21-F23 HydrophobicContact CB-CE2 3.79Å; E21-F23 HydrophobicContact CG-CE2 4.12Å; E21-F23 WeakPolarHBondContact O-CD2 3.24Å; E21-M38 PolarHBondContact N-O 2.95Å; E21-M38 PolarHBondContact O-N 3.16Å; E21-K119 VanDerWaalsContact OE1-CE 3.31Å; E21-K119 WeakPolarHBondContact OE1-CE 3.26Å; E21-K119 IonicContact OE1-NZ 2.68Å; E21-K119 PolarHBondContact OE1-NZ 2.72Å; E21-K119 VanDerWaalsContact OE2-CD 3.29Å; E21-K119 WeakPolarHBondContact OE2-CD 3.33Å; E21-K119 WeakPolarHBondContact OE2-CE 3.32Å; E21-K119 IonicContact OE2-NZ 3.27Å; E21-K119 PolarHBondContact OE2-NZ 2.6Å; E21-V122 HydrophobicContact CG-CG1 4.06Å; E21-W126 HydrophobicContact CB-CZ2 3.79Å
22R95.8Very high92.2Very high164 Ų16469.8 Ų69.862%0.61934%0.342SS*.EExtended strand (participates in β ladder)trans-85.5121.1178.8-69178.460.7163.1-2111.4S118R22-S118 WeakPolarHBondContact CB-OG 3.34Å; R22-S118 WeakPolarHBondContact O-CB 3.14Å; R22-S118 PolarHBondContact O-N 3.47Å; R22-S118 PolarHBondContact O-OG 3.23Å
23F95.6Very high92.2Very high2 Ų264.5 Ų64.51%0.00932%0.321CS..EExtended strand (participates in β ladder)trans-123.9160.9175.1-67.4-96.3000110.9E21 V36 M38 L99 F115 F116 A117 T123 W126E21-F23 HydrophobicContact CB-CD2 4.38Å; E21-F23 HydrophobicContact CB-CE2 3.79Å; E21-F23 HydrophobicContact CG-CE2 4.12Å; E21-F23 WeakPolarHBondContact O-CD2 3.24Å; F23-V36 HydrophobicContact CB-CG2 4.19Å; F23-V36 PolarHBondContact N-O 3.38Å; F23-V36 PolarHBondContact O-N 2.88Å; F23-M38 HydrophobicContact CD1-CE 4.46Å; F23-M38 HydrophobicContact CD2-CB 3.75Å; F23-M38 HydrophobicContact CD2-CE 3.77Å; F23-M38 HydrophobicContact CE1-CE 4.19Å; F23-M38 HydrophobicContact CE2-CB 4.05Å; F23-M38 HydrophobicContact CE2-CE 3.44Å; F23-M38 VanDerWaalsContact CE2-CE 3.44Å; F23-M38 HydrophobicContact CG-CE 4.27Å; F23-M38 HydrophobicContact CZ-CE 3.68Å; F23-L99 HydrophobicContact CE1-CD2 3.81Å; F23-L99 HydrophobicContact CZ-CD2 4.07Å; F23-F115 HydrophobicContact CB-CB 4.2Å; F23-F115 HydrophobicContact CB-CD1 4.19Å; F23-F115 HydrophobicContact CD1-CB 3.82Å; F23-F115 HydrophobicContact CG-CB 4.28Å; F23-F116 CarbonylContact C-O 3.48Å; F23-F116 VanDerWaalsContact CA-O 3.3Å; F23-F116 WeakPolarHBondContact CA-O 3.36Å; F23-A117 HydrophobicContact CD1-CB 3.89Å; F23-A117 HydrophobicContact CE1-CB 3.73Å; F23-T123 HydrophobicContact CE1-CG2 4.34Å; F23-W126 HydrophobicContact CE2-CD2 4.22Å; F23-W126 HydrophobicContact CE2-CE3 4.37Å; F23-W126 HydrophobicContact CE2-CZ2 4.37Å; F23-W126 HydrophobicContact CZ-CD2 4.04Å; F23-W126 HydrophobicContact CZ-CE3 4.41Å; F23-W126 HydrophobicContact CZ-CG 4.2Å
24T94.9Very high92.2Very high30 Ų3066.4 Ų66.418%0.18433%0.332CS..EExtended strand (participates in β ladder)trans-108.7112.9165.4-59.10000108.4T33 V34 F85 F115 F116T24-T33 HydrophobicContact CG2-CG2 4.3Å; T24-V34 CarbonylContact C-O 3.51Å; T24-F85 HydrophobicContact CG2-CE1 3.73Å; T24-F85 HydrophobicContact CG2-CZ 3.85Å; T24-F115 CarbonylContact O-C 3.58Å; T24-F115 WeakPolarHBondContact O-CA 3.41Å; T24-F116 PolarHBondContact N-O 2.79Å; T24-F116 PolarHBondContact O-N 3.42Å
25K95Very high92.1Very high45 Ų4564.9 Ų64.920%0.19633%0.331CS..EExtended strand (participates in β ladder)trans-79.6144.3174.8-166.8-176.3-173.2-59.10110.2V34 V36 W49 N114 F115K25-V34 PolarHBondContact N-O 3.02Å; K25-V34 PolarHBondContact O-N 2.68Å; K25-V36 HydrophobicContact CB-CG1 4.45Å; K25-V36 HydrophobicContact CB-CG2 4.29Å; K25-W49 HydrophobicContact CD-CZ2 4.37Å; K25-N114 WeakPolarHBondContact CA-O 3.33Å; K25-N114 WeakPolarHBondContact CG-O 3.3Å; K25-F115 HydrophobicContact CB-CD1 3.89Å; K25-F115 HydrophobicContact CB-CE1 3.94Å; K25-F115 HydrophobicContact CD-CE1 3.94Å; K25-F115 HydrophobicContact CD-CZ 4.37Å; K25-F115 HydrophobicContact CG-CD1 3.98Å; K25-F115 HydrophobicContact CG-CE1 3.75Å; K25-F115 HydrophobicContact CG-CZ 4.41Å
26W93.8Very high92.2Very high9 Ų960.3 Ų60.33%0.03431%0.306CS..EExtended strand (participates in β ladder)trans-139.8176170.662.4-84.1000111.2E28 T33 K74 P76 V81 F85 N114W26-E28 HydrophobicContact CH2-CG 4.16Å; W26-E28 HydrophobicContact CZ3-CB 4.5Å; W26-E28 HydrophobicContact CZ3-CG 3.65Å; W26-T33 HydrophobicContact CB-CG2 4.28Å; W26-K74 HydrophobicContact CH2-CB 4.25Å; W26-K74 HydrophobicContact CZ2-CB 4.45Å; W26-K74 WeakPolarHBondContact CZ2-O 3.29Å; W26-P76 HydrophobicContact CD2-CB 4.18Å; W26-P76 HydrophobicContact CE3-CB 3.85Å; W26-P76 VanDerWaalsContact CH2-CA 3.5Å; W26-P76 HydrophobicContact CH2-CB 3.84Å; W26-P76 HydrophobicContact CH2-CG 4.44Å; W26-P76 HydrophobicContact CZ2-CB 4.12Å; W26-P76 HydrophobicContact CZ2-CG 4.27Å; W26-P76 HydrophobicContact CZ3-CB 3.68Å; W26-V81 HydrophobicContact CB-CG1 4.33Å; W26-V81 HydrophobicContact CG-CG1 4.41Å; W26-F85 AromaticContact CD1-CE2 3.65Å; W26-F85 AromaticContact CD1-CZ 3.82Å; W26-F85 HydrophobicContact CG-CE2 4.07Å; W26-F85 HydrophobicContact CG-CZ 4.37Å; W26-N114 HydrophobicContact CD2-CB 3.89Å; W26-N114 HydrophobicContact CE3-CB 4.48Å; W26-N114 HydrophobicContact CG-CB 4.31Å; W26-N114 HydrophobicContact CH2-CB 4.16Å; W26-N114 VanDerWaalsContact CH2-ND2 3.31Å; W26-N114 WeakPolarHBondContact CH2-ND2 3.12Å; W26-N114 HydrophobicContact CZ2-CB 3.54Å; W26-N114 PolarHBondContact N-O 3.21Å; W26-N114 VanDerWaalsContact N-O 3.09Å
27S90.1Very high92.2Very high34 Ų3459.7 Ų59.724%0.23831%0.31CS..EExtended strand (participates in β ladder)trans-140.1154.4169.3-155.40000109.7D29 T30S27-D29 VanDerWaalsContact C-N 3.28Å; S27-D29 PolarHBondContact O-N 3.23Å; S27-D29 PolarHBondContact OG-OD2 3.16Å; S27-D29 VanDerWaalsContact OG-OD2 3.09Å; S27-T30 VanDerWaalsContact CB-OG1 3.3Å; S27-T30 WeakPolarHBondContact CB-OG1 3.47Å; S27-T30 PolarHBondContact N-OG1 3.39Å; S27-T30 PolarHBondContact O-N 3.11Å; S27-T30 PolarHBondContact O-OG1 3.11Å
28E85.1Confident92.3Very high82 Ų8259.7 Ų59.738%0.38331%0.31SS..THydrogen-bonded Turntrans-64.9-34.2-179.3-71.8171.9144.600112W26 T30 K74W26-E28 HydrophobicContact CH2-CG 4.16Å; W26-E28 HydrophobicContact CZ3-CB 4.5Å; W26-E28 HydrophobicContact CZ3-CG 3.65Å; E28-T30 VanDerWaalsContact C-N 3.32Å; E28-T30 PolarHBondContact O-N 3.11Å; E28-K74 VanDerWaalsContact CD-NZ 3.28Å; E28-K74 WeakPolarHBondContact OE1-CD 3.45Å; E28-K74 WeakPolarHBondContact OE1-CE 3.5Å; E28-K74 IonicContact OE1-NZ 3.91Å; E28-K74 PolarHBondContact OE1-NZ 3.38Å; E28-K74 VanDerWaalsContact OE1-NZ 3.16Å; E28-K74 IonicContact OE2-NZ 2.68Å; E28-K74 PolarHBondContact OE2-NZ 3.39Å
29D82.2Confident92.3Very high144 Ų14460.5 Ų60.577%0.7731%0.31SS*.THydrogen-bonded Turntrans-81.8-7.9-177.3-27.2-87.9000113.4S27S27-D29 VanDerWaalsContact C-N 3.28Å; S27-D29 PolarHBondContact O-N 3.23Å; S27-D29 PolarHBondContact OG-OD2 3.16Å; S27-D29 VanDerWaalsContact OG-OD2 3.09Å
30T84.2Confident92.3Very high60 Ų6053.9 Ų53.937%0.36828%0.281SS..EExtended strand (participates in β ladder)trans-123.7125.6-168.663.90000112.3S27 E28 K32S27-T30 VanDerWaalsContact CB-OG1 3.3Å; S27-T30 WeakPolarHBondContact CB-OG1 3.47Å; S27-T30 PolarHBondContact N-OG1 3.39Å; S27-T30 PolarHBondContact O-N 3.11Å; S27-T30 PolarHBondContact O-OG1 3.11Å; E28-T30 VanDerWaalsContact C-N 3.32Å; E28-T30 PolarHBondContact O-N 3.11Å; T30-K32 PolarHBondContact O-N 2.99Å
31T84.8Confident92.4Very high76 Ų7653 Ų5347%0.46627%0.272SS..EExtended strand (participates in β ladder)trans-74.7-0.6173.358.20000114.1H78T31-H78 VanDerWaalsContact CG2-CE1 3.47Å; T31-H78 WeakPolarHBondContact CG2-CE1 3.43Å; T31-H78 WeakPolarHBondContact CG2-NE2 3.35Å
32K85.8Confident92.3Very high165 Ų16556.1 Ų56.172%0.71729%0.294SS*.EExtended strand (participates in β ladder)trans-100.2130.6-178.6-64.1-177.3-179.9179.80111T30T30-K32 PolarHBondContact O-N 2.99Å
33T91.1Very high92.1Very high43 Ų4352.8 Ų52.826%0.26428%0.284SS..EExtended strand (participates in β ladder)trans-10114016951.80000110.1T24 W26 V81 V84 F85T24-T33 HydrophobicContact CG2-CG2 4.3Å; W26-T33 HydrophobicContact CB-CG2 4.28Å; T33-V81 HydrophobicContact CG2-CG1 3.9Å; T33-V84 HydrophobicContact CG2-CB 4.48Å; T33-V84 HydrophobicContact CG2-CG1 3.99Å; T33-F85 HydrophobicContact CG2-CE2 4.26Å; T33-F85 HydrophobicContact CG2-CZ 3.84Å
34V93.4Very high92.1Very high63 Ų6352.7 Ų52.738%0.38228%0.284SS..EExtended strand (participates in β ladder)trans-122.6116.8-178-176.90000110.2T24 K25 V36 N51T24-V34 CarbonylContact C-O 3.51Å; K25-V34 PolarHBondContact N-O 3.02Å; K25-V34 PolarHBondContact O-N 2.68Å; V34-V36 HydrophobicContact CG1-CG1 4.07Å; V34-N51 HydrophobicContact CG1-CB 3.95Å
35P95.1Very high92.1Very high47 Ų4751.6 Ų51.631%0.30528%0.277SS..EExtended strand (participates in β ladder)trans-69.5131.4171.529.3-33.6000110.3Q52P35-Q52 HydrophobicContact CG-CG 4.11Å
36V96.1Very high92.2Very high9 Ų949.6 Ų49.66%0.05527%0.268CS..EExtended strand (participates in β ladder)trans-136.5153.5-178-61.30000110.8F23 K25 V34 W49 T50 N51 F115F23-V36 HydrophobicContact CB-CG2 4.19Å; F23-V36 PolarHBondContact N-O 3.38Å; F23-V36 PolarHBondContact O-N 2.88Å; K25-V36 HydrophobicContact CB-CG1 4.45Å; K25-V36 HydrophobicContact CB-CG2 4.29Å; V34-V36 HydrophobicContact CG1-CG1 4.07Å; V36-W49 HydrophobicContact CB-CB 4.15Å; V36-W49 HydrophobicContact CG2-CB 4.15Å; V36-W49 HydrophobicContact CG2-CG 4.45Å; V36-T50 VanDerWaalsContact CA-O 3.32Å; V36-T50 WeakPolarHBondContact CA-O 3.39Å; V36-N51 HydrophobicContact CG1-CB 4.15Å; V36-F115 HydrophobicContact CG2-CD1 4.37Å; V36-F115 HydrophobicContact CG2-CE1 4.32Å
37T95.9Very high92.4Very high57 Ų5749.1 Ų49.135%0.3527%0.266SS..EExtended strand (participates in β ladder)trans-101.1119.8162.6-54.40000107.7W49 T50T37-W49 VanDerWaalsContact O-CA 3.26Å; T37-W49 WeakPolarHBondContact O-CA 3.41Å; T37-T50 PolarHBondContact N-O 3Å; T37-T50 PolarHBondContact O-N 3.16Å
38M96.9Very high92.6Very high0 Ų049 Ų490%026%0.261CS..EExtended strand (participates in β ladder)trans-98.8142.4178.7-170.7164.758.900110.3G20 E21 F23 V47 Y48 W49 L99 I101 F115 W126G20-M38 CarbonylContact C-O 3.48Å; G20-M38 WeakPolarHBondContact CA-O 3.37Å; E21-M38 PolarHBondContact N-O 2.95Å; E21-M38 PolarHBondContact O-N 3.16Å; F23-M38 HydrophobicContact CD1-CE 4.46Å; F23-M38 HydrophobicContact CD2-CB 3.75Å; F23-M38 HydrophobicContact CD2-CE 3.77Å; F23-M38 HydrophobicContact CE1-CE 4.19Å; F23-M38 HydrophobicContact CE2-CB 4.05Å; F23-M38 HydrophobicContact CE2-CE 3.44Å; F23-M38 VanDerWaalsContact CE2-CE 3.44Å; F23-M38 HydrophobicContact CG-CE 4.27Å; F23-M38 HydrophobicContact CZ-CE 3.68Å; M38-V47 HydrophobicContact CG-CG1 3.84Å; M38-V47 HydrophobicContact SD-CG1 3.65Å; M38-Y48 WeakPolarHBondContact CA-O 3.46Å; M38-W49 HydrophobicContact CB-CB 4.1Å; M38-W49 HydrophobicContact CG-CB 4.22Å; M38-W49 HydrophobicContact CG-CE3 4.46Å; M38-W49 HydrophobicContact SD-CE3 4.11Å; M38-L99 HydrophobicContact CE-CD2 3.84Å; M38-I101 HydrophobicContact SD-CD1 4.31Å; M38-F115 HydrophobicContact SD-CE1 4.13Å; M38-F115 HydrophobicContact SD-CE2 4.1Å; M38-F115 HydrophobicContact SD-CZ 3.9Å; M38-W126 HydrophobicContact CB-CH2 4.49Å; M38-W126 HydrophobicContact CB-CZ3 4.36Å; M38-W126 HydrophobicContact CE-CE3 3.72Å; M38-W126 HydrophobicContact CE-CZ3 3.85Å; M38-W126 HydrophobicContact CG-CH2 4.44Å; M38-W126 HydrophobicContact CG-CZ3 3.9Å; M38-W126 VanDerWaalsContact O-CH2 3.31Å; M38-W126 WeakPolarHBondContact O-CH2 3.27Å; M38-W126 HydrophobicContact SD-CZ3 4.49Å
39K96.6Very high93.1Very high59 Ų5945.6 Ų45.626%0.25724%0.244SC..EExtended strand (participates in β ladder)trans-144.6162.7-174.7-77.4172172.8-86.50110.6L17 V18 K19 V47 Y48L17-K39 CarbonylContact O-C 3.54Å; L17-K39 VanDerWaalsContact O-CA 3.3Å; L17-K39 WeakPolarHBondContact O-CA 3.47Å; V18-K39 PolarHBondContact O-NZ 3.06Å; K19-K39 WeakPolarHBondContact O-CE 3Å; K19-K39 PolarHBondContact O-NZ 3.16Å; K39-V47 WeakPolarHBondContact O-CA 3.25Å; K39-Y48 HydrophobicContact CB-CD1 4.3Å; K39-Y48 HydrophobicContact CB-CD2 4.25Å; K39-Y48 HydrophobicContact CB-CE1 3.79Å; K39-Y48 HydrophobicContact CB-CE2 3.75Å; K39-Y48 VanDerWaalsContact CB-CZ 3.49Å; K39-Y48 HydrophobicContact CD-CE2 3.86Å; K39-Y48 WeakPolarHBondContact CD-OH 3.06Å; K39-Y48 HydrophobicContact CG-CE2 4.42Å; K39-Y48 PolarHBondContact N-O 2.76Å; K39-Y48 PolarHBondContact O-N 3.25Å; K39-Y48 VanDerWaalsContact O-O 3.12Å
40M96.6Very high93.7Very high0 Ų040.8 Ų40.80%022%0.22CC..EExtended strand (participates in β ladder)trans-116.5153.8160.6-167.6177.9-80.600109.3V13 L17 Y46 V47 V61 I130 I133V13-M40 HydrophobicContact CG1-CB 4.36Å; V13-M40 HydrophobicContact CG1-CG 4.24Å; V13-M40 HydrophobicContact CG1-SD 3.82Å; V13-M40 HydrophobicContact CG2-SD 4.23Å; L17-M40 HydrophobicContact CB-CB 3.95Å; L17-M40 HydrophobicContact CD1-CE 4.47Å; L17-M40 HydrophobicContact CD1-SD 4.26Å; L17-M40 PolarHBondContact O-N 3.15Å; M40-Y46 WeakPolarHBondContact CA-O 3.41Å; M40-V47 HydrophobicContact CE-CG2 3.66Å; M40-V61 HydrophobicContact CE-CG2 4.26Å; M40-I130 HydrophobicContact CE-CG1 3.72Å; M40-I133 HydrophobicContact CE-CD1 3.96Å; M40-I133 HydrophobicContact SD-CD1 3.57Å; M40-I133 VanDerWaalsContact SD-CD1 3.57Å; M40-I133 HydrophobicContact SD-CG2 4.49Å
41D95.2Very high94Very high1 Ų139.4 Ų39.41%0.00521%0.21CC..  trans-76155168.775.8-82.9000111.7K43 G44 F45 Y46 I153 L157D41-K43 PolarHBondContact O-N 2.79Å; D41-K43 WeakPolarHBondContact OD2-CA 3.29Å; D41-K43 WeakPolarHBondContact OD2-CB 3.33Å; D41-K43 PolarHBondContact OD2-N 3.01Å; D41-G44 PolarHBondContact O-N 3.28Å; D41-G44 VanDerWaalsContact O-N 3.09Å; D41-G44 PolarHBondContact OD2-N 3.09Å; D41-G44 VanDerWaalsContact OD2-N 3.16Å; D41-F45 WeakPolarHBondContact OD1-CA 3.13Å; D41-F45 PolarHBondContact OD1-N 3.43Å; D41-Y46 PolarHBondContact N-O 2.68Å; D41-Y46 PolarHBondContact OD1-N 3.07Å; D41-I153 HydrophobicContact CB-CG2 4.02Å; D41-L157 HydrophobicContact CB-CD1 4.07Å
42P94.1Very high94.1Very high89 Ų8943.5 Ų43.558%0.57822%0.224SC*.THydrogen-bonded Turntrans-62.5-8.6-177.5-23.834.2000116.5V18V18-P42 HydrophobicContact CG1-CG 3.95Å; V18-P42 HydrophobicContact CG2-CG 4.42Å
43K92.7Very high94.1Very high93 Ų9339.3 Ų39.340%0.40422%0.216SC..THydrogen-bonded Turntrans-110.22.5178-60.3-58.7-176.378.60113.3D41 F45 R139 E149 I153D41-K43 PolarHBondContact O-N 2.79Å; D41-K43 WeakPolarHBondContact OD2-CA 3.29Å; D41-K43 WeakPolarHBondContact OD2-CB 3.33Å; D41-K43 PolarHBondContact OD2-N 3.01Å; K43-F45 HydrophobicContact CB-CD2 3.63Å; K43-F45 HydrophobicContact CB-CE2 3.39Å; K43-F45 HydrophobicContact CB-CZ 4.11Å; K43-F45 HydrophobicContact CG-CE2 4.19Å; K43-R139 PolarHBondContact O-NH1 3.4Å; K43-E149 IonicContact NZ-OE1 2.77Å; K43-E149 PolarHBondContact NZ-OE1 3.47Å; K43-E149 IonicContact NZ-OE2 2.74Å; K43-I153 HydrophobicContact CB-CD1 4.13Å; K43-I153 HydrophobicContact CG-CD1 3.87Å
44G94.4Very high93.8Very high1 Ų143.6 Ų43.61%0.0123%0.231CC..SBendtrans73.129.8168.900000114.2D41D41-G44 PolarHBondContact O-N 3.28Å; D41-G44 VanDerWaalsContact O-N 3.09Å; D41-G44 PolarHBondContact OD2-N 3.09Å; D41-G44 VanDerWaalsContact OD2-N 3.16Å
45F95.6Very high93.5Very high7 Ų746.4 Ų46.43%0.03124%0.24CC..SBendtrans-90.9-32.9-178.6-64-54.2000113.7D41 K43 V61 R139 V146 E149 K150 I153D41-F45 WeakPolarHBondContact OD1-CA 3.13Å; D41-F45 PolarHBondContact OD1-N 3.43Å; K43-F45 HydrophobicContact CB-CD2 3.63Å; K43-F45 HydrophobicContact CB-CE2 3.39Å; K43-F45 HydrophobicContact CB-CZ 4.11Å; K43-F45 HydrophobicContact CG-CE2 4.19Å; F45-V61 WeakPolarHBondContact O-CB 3.41Å; F45-V61 PolarHBondContact O-N 3.16Å; F45-R139 VanDerWaalsContact CE1-NH1 3.27Å; F45-V146 HydrophobicContact CE1-CG1 3.69Å; F45-V146 HydrophobicContact CZ-CG1 3.69Å; F45-V146 WeakPolarHBondContact CZ-O 3.29Å; F45-E149 HydrophobicContact CE2-CG 4.22Å; F45-K150 HydrophobicContact CB-CD 4.26Å; F45-K150 HydrophobicContact CB-CG 3.92Å; F45-K150 HydrophobicContact CD1-CB 3.87Å; F45-K150 HydrophobicContact CD1-CD 3.72Å; F45-K150 HydrophobicContact CD1-CG 3.8Å; F45-K150 HydrophobicContact CD2-CB 4.06Å; F45-K150 HydrophobicContact CD2-CG 4.28Å; F45-K150 HydrophobicContact CE1-CB 3.87Å; F45-K150 HydrophobicContact CE1-CD 4.26Å; F45-K150 HydrophobicContact CE1-CG 4.31Å; F45-K150 HydrophobicContact CE2-CB 4.06Å; F45-K150 HydrophobicContact CG-CB 3.95Å; F45-K150 HydrophobicContact CG-CD 4.14Å; F45-K150 HydrophobicContact CG-CG 3.76Å; F45-K150 HydrophobicContact CZ-CB 3.95Å; F45-I153 HydrophobicContact CD2-CD1 3.91Å; F45-I153 HydrophobicContact CE2-CD1 3.86Å
46Y96.8Very high93.3Very high2 Ų246 Ų461%0.00824%0.236CC..EExtended strand (participates in β ladder)trans-139.8125.4-170.6-66.3-69.4000111.8M40 D41 F58 L59 D60 K150 R154M40-Y46 WeakPolarHBondContact CA-O 3.41Å; D41-Y46 PolarHBondContact N-O 2.68Å; D41-Y46 PolarHBondContact OD1-N 3.07Å; Y46-F58 HydrophobicContact CD1-CB 4.48Å; Y46-F58 HydrophobicContact CG-CD1 4.43Å; Y46-L59 WeakPolarHBondContact CA-O 3.32Å; Y46-D60 HydrophobicContact CD1-CB 4.24Å; Y46-D60 HydrophobicContact CE1-CB 3.79Å; Y46-D60 VanDerWaalsContact CE1-OD2 3.26Å; Y46-D60 WeakPolarHBondContact CE1-OD2 3.44Å; Y46-D60 PolarHBondContact OH-OD2 3.46Å; Y46-K150 HydrophobicContact CE2-CG 3.73Å; Y46-K150 VanDerWaalsContact OH-CE 3.23Å; Y46-K150 WeakPolarHBondContact OH-CE 3.46Å; Y46-R154 HydrophobicContact CD2-CB 4.44Å; Y46-R154 HydrophobicContact CE2-CB 3.72Å; Y46-R154 HydrophobicContact CE2-CG 4.29Å; Y46-R154 WeakPolarHBondContact OH-CD 3.39Å
47V96.9Very high93.2Very high0 Ų048.4 Ų48.40%025%0.251CS..EExtended strand (participates in β ladder)trans-84.1126.9155.81760000106.5M38 K39 M40 W49 L59 V61 I64 I101 I130M38-V47 HydrophobicContact CG-CG1 3.84Å; M38-V47 HydrophobicContact SD-CG1 3.65Å; K39-V47 WeakPolarHBondContact O-CA 3.25Å; M40-V47 HydrophobicContact CE-CG2 3.66Å; V47-W49 HydrophobicContact CG1-CE3 4.35Å; V47-W49 HydrophobicContact CG1-CZ3 4.4Å; V47-L59 PolarHBondContact N-O 2.68Å; V47-L59 PolarHBondContact O-N 2.96Å; V47-V61 HydrophobicContact CG2-CG2 4.03Å; V47-I64 HydrophobicContact CG2-CD1 4.29Å; V47-I101 HydrophobicContact CG1-CD1 4.42Å; V47-I130 HydrophobicContact CG2-CD1 3.9Å; V47-I130 HydrophobicContact CG2-CG1 4.13Å; V47-I130 HydrophobicContact CG2-CG2 4.43Å
48Y96.3Very high93.2Very high32 Ų3247.7 Ų47.713%0.12524%0.243CC..EExtended strand (participates in β ladder)trans-135.3152.818067.1-87.2000111.1M38 K39 T56 T57 F58 L157M38-Y48 WeakPolarHBondContact CA-O 3.46Å; K39-Y48 HydrophobicContact CB-CD1 4.3Å; K39-Y48 HydrophobicContact CB-CD2 4.25Å; K39-Y48 HydrophobicContact CB-CE1 3.79Å; K39-Y48 HydrophobicContact CB-CE2 3.75Å; K39-Y48 VanDerWaalsContact CB-CZ 3.49Å; K39-Y48 HydrophobicContact CD-CE2 3.86Å; K39-Y48 WeakPolarHBondContact CD-OH 3.06Å; K39-Y48 HydrophobicContact CG-CE2 4.42Å; K39-Y48 PolarHBondContact N-O 2.76Å; K39-Y48 PolarHBondContact O-N 3.25Å; K39-Y48 VanDerWaalsContact O-O 3.12Å; Y48-T56 HydrophobicContact CD2-CG2 3.72Å; Y48-T56 HydrophobicContact CG-CG2 4.32Å; Y48-T57 CarbonylContact C-O 3.47Å; Y48-T57 WeakPolarHBondContact CA-O 3.38Å; Y48-T57 VanDerWaalsContact CB-O 3.31Å; Y48-T57 WeakPolarHBondContact CB-O 3.24Å; Y48-F58 HydrophobicContact CG-CD1 4.33Å; Y48-F58 HydrophobicContact CG-CE1 4.13Å; Y48-L157 HydrophobicContact CD1-CD1 4.33Å; Y48-L157 HydrophobicContact CE1-CD1 4.02Å
49W95.6Very high93.2Very high10 Ų1048.2 Ų48.24%0.03825%0.246CC..EExtended strand (participates in β ladder)trans-140.4137.1178.557.481.2000111.8K25 V36 T37 M38 V47 T56 T57 L59 H113 F115K25-W49 HydrophobicContact CD-CZ2 4.37Å; V36-W49 HydrophobicContact CB-CB 4.15Å; V36-W49 HydrophobicContact CG2-CB 4.15Å; V36-W49 HydrophobicContact CG2-CG 4.45Å; T37-W49 VanDerWaalsContact O-CA 3.26Å; T37-W49 WeakPolarHBondContact O-CA 3.41Å; M38-W49 HydrophobicContact CB-CB 4.1Å; M38-W49 HydrophobicContact CG-CB 4.22Å; M38-W49 HydrophobicContact CG-CE3 4.46Å; M38-W49 HydrophobicContact SD-CE3 4.11Å; V47-W49 HydrophobicContact CG1-CE3 4.35Å; V47-W49 HydrophobicContact CG1-CZ3 4.4Å; W49-T56 WeakPolarHBondContact O-CA 3.33Å; W49-T57 HydrophobicContact CH2-CG2 4.34Å; W49-T57 HydrophobicContact CZ2-CG2 3.59Å; W49-T57 PolarHBondContact N-O 3.26Å; W49-T57 VanDerWaalsContact NE1-CB 3.34Å; W49-T57 PolarHBondContact NE1-OG1 3.23Å; W49-T57 PolarHBondContact O-N 2.95Å; W49-L59 HydrophobicContact CH2-CB 4.1Å; W49-L59 HydrophobicContact CZ3-CB 3.9Å; W49-L59 HydrophobicContact CZ3-CD2 4.38Å; W49-H113 HydrophobicContact CH2-CB 4.46Å; W49-H113 AromaticContact CH2-ND1 3.71Å; W49-F115 HydrophobicContact CD2-CE1 4.05Å; W49-F115 AromaticContact CD2-CZ 3.9Å; W49-F115 HydrophobicContact CD2-CZ 3.9Å; W49-F115 HydrophobicContact CE3-CE1 4.24Å; W49-F115 AromaticContact CE3-CZ 3.7Å; W49-F115 HydrophobicContact CE3-CZ 3.7Å; W49-F115 HydrophobicContact CG-CE1 4.35Å; W49-F115 HydrophobicContact CH2-CZ 4.05Å; W49-F115 HydrophobicContact CZ2-CZ 4.23Å; W49-F115 AromaticContact CZ3-CZ 3.78Å; W49-F115 HydrophobicContact CZ3-CZ 3.78Å
50T93.3Very high93.1Very high43 Ų4346.7 Ų46.726%0.26424%0.241SC..EExtended strand (participates in β ladder)trans-109.6130.3-178.9-51.10000109.9V36 T37 E55 T56V36-T50 VanDerWaalsContact CA-O 3.32Å; V36-T50 WeakPolarHBondContact CA-O 3.39Å; T37-T50 PolarHBondContact N-O 3Å; T37-T50 PolarHBondContact O-N 3.16Å; T50-E55 WeakPolarHBondContact CA-O 3.3Å; T50-T56 PolarHBondContact OG1-OG1 2.93Å
51N91.2Very high93.1Very high30 Ų3046.9 Ų46.916%0.1624%0.242CC..EExtended strand (participates in β ladder)trans-88.3173.3176.269.722.2000112.2V34 V36 S53 K54 E55V34-N51 HydrophobicContact CG1-CB 3.95Å; V36-N51 HydrophobicContact CG1-CB 4.15Å; N51-S53 PolarHBondContact O-N 2.71Å; N51-S53 VanDerWaalsContact O-N 3.14Å; N51-S53 WeakPolarHBondContact OD1-CA 3.42Å; N51-S53 VanDerWaalsContact OD1-CB 3.27Å; N51-S53 WeakPolarHBondContact OD1-CB 3.49Å; N51-S53 PolarHBondContact OD1-N 3.19Å; N51-K54 PolarHBondContact O-N 3.43Å; N51-K54 PolarHBondContact OD1-N 2.76Å; N51-E55 PolarHBondContact N-O 2.82Å; N51-E55 PolarHBondContact ND2-OE2 3.27Å; N51-E55 WeakPolarHBondContact OD1-CB 3.44Å; N51-E55 PolarHBondContact OD1-N 3.21Å; N51-E55 PolarHBondContact OD1-O 3.5Å
52Q87.4Confident93Very high162 Ų16248.2 Ų48.276%0.75725%0.253SS*.THydrogen-bonded Turntrans-58.5-24.4178.1-71.6177.1-30.900113.9P35 K54P35-Q52 HydrophobicContact CG-CG 4.11Å; Q52-K54 PolarHBondContact O-N 2.77Å
53S85.8Confident93.1Very high77 Ų7746.1 Ų46.154%0.53824%0.239SC..THydrogen-bonded Turntrans-78.84.9177.3-51.70000114.1N51 E55N51-S53 PolarHBondContact O-N 2.71Å; N51-S53 VanDerWaalsContact O-N 3.14Å; N51-S53 WeakPolarHBondContact OD1-CA 3.42Å; N51-S53 VanDerWaalsContact OD1-CB 3.27Å; N51-S53 WeakPolarHBondContact OD1-CB 3.49Å; N51-S53 PolarHBondContact OD1-N 3.19Å; S53-E55 PolarHBondContact O-N 3.32Å
54K84.4Confident93.3Very high133 Ų13342 Ų4258%0.57822%0.221SC*.SBendtrans59.525-168.7-57.2-171.3-176.2-175.70114.7N51 Q52 K161N51-K54 PolarHBondContact O-N 3.43Å; N51-K54 PolarHBondContact OD1-N 2.76Å; Q52-K54 PolarHBondContact O-N 2.77Å; K54-K161 HydrophobicContact CB-CG 4.45Å; K54-K161 HydrophobicContact CD-CB 4.46Å; K54-K161 VanDerWaalsContact CD-O 3.31Å; K54-K161 WeakPolarHBondContact CD-O 3.27Å; K54-K161 PolarHBondContact NZ-O 2.89Å
55E86.9Confident93.4Very high122 Ų12242.8 Ų42.857%0.5722%0.224SC*.  trans-90.7128.2172.2171.7-173.9-141.800109.6T50 N51 S53T50-E55 WeakPolarHBondContact CA-O 3.3Å; N51-E55 PolarHBondContact N-O 2.82Å; N51-E55 PolarHBondContact ND2-OE2 3.27Å; N51-E55 WeakPolarHBondContact OD1-CB 3.44Å; N51-E55 PolarHBondContact OD1-N 3.21Å; N51-E55 PolarHBondContact OD1-O 3.5Å; S53-E55 PolarHBondContact O-N 3.32Å
56T91.3Very high93.5Very high38 Ų3842.5 Ų42.523%0.23322%0.223CC..EExtended strand (participates in β ladder)trans-107.5122.7-179-58.70000110.7Y48 W49 T50 F58Y48-T56 HydrophobicContact CD2-CG2 3.72Å; Y48-T56 HydrophobicContact CG-CG2 4.32Å; W49-T56 WeakPolarHBondContact O-CA 3.33Å; T50-T56 PolarHBondContact OG1-OG1 2.93Å; T56-F58 HydrophobicContact CG2-CD2 4.25Å; T56-F58 HydrophobicContact CG2-CE1 4.25Å; T56-F58 HydrophobicContact CG2-CE2 3.63Å; T56-F58 HydrophobicContact CG2-CZ 3.63Å
57T94.1Very high93.5Very high61 Ų6142.8 Ų42.837%0.37423%0.225SC..EExtended strand (participates in β ladder)trans-95.5143.6169.9-47.80000109.6Y48 W49Y48-T57 CarbonylContact C-O 3.47Å; Y48-T57 WeakPolarHBondContact CA-O 3.38Å; Y48-T57 VanDerWaalsContact CB-O 3.31Å; Y48-T57 WeakPolarHBondContact CB-O 3.24Å; W49-T57 HydrophobicContact CH2-CG2 4.34Å; W49-T57 HydrophobicContact CZ2-CG2 3.59Å; W49-T57 PolarHBondContact N-O 3.26Å; W49-T57 VanDerWaalsContact NE1-CB 3.34Å; W49-T57 PolarHBondContact NE1-OG1 3.23Å; W49-T57 PolarHBondContact O-N 2.95Å
58F94.8Very high93.5Very high41 Ų4143.4 Ų43.418%0.1823%0.227CC..EExtended strand (participates in β ladder)trans-118.1136.1178.4-64.7-94.8000110.8Y46 Y48 T56 L157 Q158Y46-F58 HydrophobicContact CD1-CB 4.48Å; Y46-F58 HydrophobicContact CG-CD1 4.43Å; Y48-F58 HydrophobicContact CG-CD1 4.33Å; Y48-F58 HydrophobicContact CG-CE1 4.13Å; T56-F58 HydrophobicContact CG2-CD2 4.25Å; T56-F58 HydrophobicContact CG2-CE1 4.25Å; T56-F58 HydrophobicContact CG2-CE2 3.63Å; T56-F58 HydrophobicContact CG2-CZ 3.63Å; F58-L157 HydrophobicContact CE1-CB 3.63Å; F58-L157 HydrophobicContact CE1-CD1 4.12Å; F58-L157 HydrophobicContact CZ-CB 3.73Å; F58-Q158 HydrophobicContact CE2-CB 4.15Å; F58-Q158 HydrophobicContact CE2-CG 4.05Å; F58-Q158 HydrophobicContact CZ-CB 4.34Å
59L96.9Very high93.4Very high12 Ų1242.8 Ų42.86%0.06323%0.227CC..EExtended strand (participates in β ladder)trans-116.8122168.8176.958.2000108.4Y46 V47 W49 V61 I64 I101Y46-L59 WeakPolarHBondContact CA-O 3.32Å; V47-L59 PolarHBondContact N-O 2.68Å; V47-L59 PolarHBondContact O-N 2.96Å; W49-L59 HydrophobicContact CH2-CB 4.1Å; W49-L59 HydrophobicContact CZ3-CB 3.9Å; W49-L59 HydrophobicContact CZ3-CD2 4.38Å; L59-V61 PolarHBondContact O-N 3.44Å; L59-I64 HydrophobicContact CD2-CD1 4.07Å; L59-I64 HydrophobicContact CD2-CG1 4.01Å; L59-I64 HydrophobicContact CG-CD1 4.32Å; L59-I64 HydrophobicContact CG-CG1 4.13Å; L59-I101 HydrophobicContact CD2-CB 4.48Å; L59-I101 HydrophobicContact CD2-CG2 3.75Å
60D95.9Very high93.1Very high26 Ų2643.2 Ų43.214%0.13923%0.234CC..EExtended strand (participates in β ladder)trans-72.3123.2177.7-162.1-56.8000109.7Y46 A62 T63 K150Y46-D60 HydrophobicContact CD1-CB 4.24Å; Y46-D60 HydrophobicContact CE1-CB 3.79Å; Y46-D60 VanDerWaalsContact CE1-OD2 3.26Å; Y46-D60 WeakPolarHBondContact CE1-OD2 3.44Å; Y46-D60 PolarHBondContact OH-OD2 3.46Å; D60-A62 PolarHBondContact O-N 3.32Å; D60-A62 WeakPolarHBondContact OD1-CB 3.46Å; D60-A62 PolarHBondContact OD1-N 3.3Å; D60-T63 HydrophobicContact CB-CG2 4.37Å; D60-T63 PolarHBondContact O-N 3.42Å; D60-T63 PolarHBondContact O-OG1 3.45Å; D60-T63 VanDerWaalsContact O-OG1 3.12Å; D60-K150 WeakPolarHBondContact OD1-CE 3.39Å; D60-K150 IonicContact OD1-NZ 3.44Å; D60-K150 PolarHBondContact OD1-NZ 3.43Å; D60-K150 WeakPolarHBondContact OD2-CE 3.43Å; D60-K150 IonicContact OD2-NZ 3.4Å; D60-K150 PolarHBondContact OD2-NZ 2.98Å
61V95.8Very high92.8Very high5 Ų548 Ų483%0.0325%0.251CS..G310 helixtrans-63-26.1-176.4173.30000111.4M40 F45 V47 L59 T63 I64 I133 A134M40-V61 HydrophobicContact CE-CG2 4.26Å; F45-V61 WeakPolarHBondContact O-CB 3.41Å; F45-V61 PolarHBondContact O-N 3.16Å; V47-V61 HydrophobicContact CG2-CG2 4.03Å; L59-V61 PolarHBondContact O-N 3.44Å; V61-T63 PolarHBondContact O-N 2.88Å; V61-I64 HydrophobicContact CG2-CD1 4.34Å; V61-I64 PolarHBondContact O-N 3.22Å; V61-I133 HydrophobicContact CG1-CG2 3.94Å; V61-A134 HydrophobicContact CG1-CB 3.95Å
62A93.3Very high92.9Very high29 Ų2950.1 Ų50.124%0.2426%0.257CS..G310 helixtrans-75.5-4.617700000114.6D60 M800 P801D60-A62 PolarHBondContact O-N 3.32Å; D60-A62 WeakPolarHBondContact OD1-CB 3.46Å; D60-A62 PolarHBondContact OD1-N 3.3Å; A62-M800 VanDerWaalsContact O-SD 3.35Å; A62-P801 HydrophobicContact CB-CG 3.96Å
63T95.3Very high93.1Very high45 Ų4542.7 Ų42.728%0.27622%0.224SC..G310 helixtrans-109.10.3172.369.30000113.5D60 V61 S103 G104 M800D60-T63 HydrophobicContact CB-CG2 4.37Å; D60-T63 PolarHBondContact O-N 3.42Å; D60-T63 PolarHBondContact O-OG1 3.45Å; D60-T63 VanDerWaalsContact O-OG1 3.12Å; V61-T63 PolarHBondContact O-N 2.88Å; T63-S103 CarbonylContact O-C 3.6Å; T63-S103 WeakPolarHBondContact O-CA 3.26Å; T63-S103 WeakPolarHBondContact O-CB 3.3Å; T63-G104 PolarHBondContact O-N 2.87Å; T63-M800 HydrophobicContact CG2-CE 3.99Å
64I97.1Very high93.4Very high7 Ų741.7 Ų41.74%0.03621%0.209CC..EExtended strand (participates in β ladder)trans-70.1131.7172.6-61.9178.5000109.1V47 L59 V61 T67 I101 I130 A134V47-I64 HydrophobicContact CG2-CD1 4.29Å; L59-I64 HydrophobicContact CD2-CD1 4.07Å; L59-I64 HydrophobicContact CD2-CG1 4.01Å; L59-I64 HydrophobicContact CG-CD1 4.32Å; L59-I64 HydrophobicContact CG-CG1 4.13Å; V61-I64 HydrophobicContact CG2-CD1 4.34Å; V61-I64 PolarHBondContact O-N 3.22Å; I64-T67 HydrophobicContact CG2-CG2 4.38Å; I64-I101 HydrophobicContact CD1-CG2 4.01Å; I64-I101 HydrophobicContact CG1-CG2 4.09Å; I64-I101 HydrophobicContact CG2-CG2 3.96Å; I64-I130 HydrophobicContact CD1-CG2 3.64Å; I64-I130 HydrophobicContact CG2-CG2 4.41Å; I64-A134 HydrophobicContact CB-CB 4.07Å; I64-A134 HydrophobicContact CG2-CB 4.26Å
65R96.5Very high93.6Very high17 Ų1738.2 Ų38.26%0.06420%0.197CC..EExtended strand (participates in β ladder)trans-106.8-37.9178.5-61.8-64.7-172.5-177.6-1.8112.3V102 G104 P105 D106 L110 Y135 Q345 S798 M800R65-V102 PolarHBondContact N-O 3.44Å; R65-G104 PolarHBondContact NE-O 3.36Å; R65-G104 PolarHBondContact NH2-O 2.91Å; R65-P105 VanDerWaalsContact NH2-C 3.25Å; R65-P105 PolarHBondContact NH2-O 2.9Å; R65-D106 PolarHBondContact NE-O 2.87Å; R65-D106 VanDerWaalsContact NH2-CA 3.29Å; R65-D106 PolarHBondContact NH2-O 3.16Å; R65-L110 HydrophobicContact CG-CD2 4.23Å; R65-Y135 PolarHBondContact O-OH 3.13Å; R65-Q345 VanDerWaalsContact CB-OE1 3.3Å; R65-S798 PolarHBondContact NH2-OG 3.16Å; R65-M800 PolarHBondContact NH2-SD 3.15Å
66D97.9Very high93.7Very high0 Ų032.6 Ų32.60%017%0.171CC..EExtended strand (participates in β ladder)trans-154.1160.6-176.3-156.7-2.6000111.8R68 V102 L348 K395D66-R68 IonicContact OD2-CZ 2.6Å; D66-R68 IonicContact OD2-NE 2.67Å; D66-R68 PolarHBondContact OD2-NE 3.09Å; D66-R68 IonicContact OD2-NH2 3.3Å; D66-R68 PolarHBondContact OD2-NH2 2.98Å; D66-V102 HydrophobicContact CB-CB 3.99Å; D66-V102 HydrophobicContact CB-CG2 4.06Å; D66-V102 PolarHBondContact N-O 2.91Å; D66-V102 PolarHBondContact O-N 2.97Å; D66-L348 HydrophobicContact CB-CD1 3.66Å; D66-K395 IonicContact OD1-NZ 2.7Å; D66-K395 PolarHBondContact OD1-NZ 3.43Å; D66-K395 IonicContact OD2-NZ 3.27Å; D66-K395 PolarHBondContact OD2-NZ 3.44Å
67T97.6Very high93.6Very high8 Ų839.3 Ų39.35%0.04920%0.197CC..EExtended strand (participates in β ladder)trans-137.6128.5171.354.40000108.8I64 T100 I101 A127 I130I64-T67 HydrophobicContact CG2-CG2 4.38Å; T67-T100 CarbonylContact C-O 3.57Å; T67-T100 WeakPolarHBondContact CA-O 3.38Å; T67-I101 HydrophobicContact CG2-CG1 4.43Å; T67-I101 HydrophobicContact CG2-CG2 4.36Å; T67-A127 PolarHBondContact OG1-O 3.12Å; T67-A127 VanDerWaalsContact OG1-O 3.04Å; T67-I130 HydrophobicContact CG2-CB 4.13Å; T67-I130 HydrophobicContact CG2-CG2 3.72Å
68R96.1Very high93.3Very high14 Ų1440 Ų405%0.05320%0.196CC..EExtended strand (participates in β ladder)trans-129.1144.7-172.9-54.3-176.2-172.6149.912.6111.6D66 Y72 L99 T100 E341 E391D66-R68 IonicContact OD2-CZ 2.6Å; D66-R68 IonicContact OD2-NE 2.67Å; D66-R68 PolarHBondContact OD2-NE 3.09Å; D66-R68 IonicContact OD2-NH2 3.3Å; D66-R68 PolarHBondContact OD2-NH2 2.98Å; R68-Y72 WeakPolarHBondContact CB-O 3.47Å; R68-Y72 WeakPolarHBondContact CD-O 3.31Å; R68-L99 CarbonylContact O-C 3.56Å; R68-L99 WeakPolarHBondContact O-CA 3.38Å; R68-T100 PolarHBondContact N-O 3.4Å; R68-T100 PolarHBondContact O-N 2.9Å; R68-E341 IonicContact CZ-OE1 2.72Å; R68-E341 IonicContact CZ-OE2 3.16Å; R68-E341 IonicContact NH1-OE1 3.32Å; R68-E341 IonicContact NH1-OE2 2.65Å; R68-E341 PolarHBondContact NH1-OE2 3.32Å; R68-E341 IonicContact NH2-OE1 2.72Å; R68-E341 PolarHBondContact NH2-OE1 3.5Å; R68-E341 IonicContact NH2-OE2 2.98Å; R68-E341 PolarHBondContact NH2-OE2 3.19Å; R68-E391 WeakPolarHBondContact CD-OE1 3.43Å; R68-E391 IonicContact NE-OE1 2.73Å; R68-E391 PolarHBondContact NE-OE1 3.08Å
69T93.8Very high92.9Very high19 Ų1942 Ų4212%0.11721%0.213CC..EExtended strand (participates in β ladder)trans-135.3168.2-177.155.10000110.2K71 Y72 A73 L99 T123 Q124 A127T69-K71 PolarHBondContact O-N 3.04Å; T69-Y72 PolarHBondContact O-N 3.47Å; T69-A73 PolarHBondContact O-N 3.01Å; T69-L99 HydrophobicContact CG2-CD1 4.12Å; T69-T123 WeakPolarHBondContact CG2-O 3.44Å; T69-Q124 PolarHBondContact OG1-OE1 3.15Å; T69-A127 HydrophobicContact CG2-CB 3.62Å
70G89.1Confident92.4Very high18 Ų1848.3 Ų48.319%0.18624%0.24CC..G310 helixtrans59.8-132.1172.500000112.5Y72 A73 L95 T98G70-Y72 PolarHBondContact O-N 2.99Å; G70-A73 PolarHBondContact O-N 3.37Å; G70-L95 VanDerWaalsContact CA-O 3.25Å; G70-L95 WeakPolarHBondContact CA-O 3.49Å; G70-L95 PolarHBondContact N-O 2.84Å; G70-T98 PolarHBondContact N-OG1 3.18Å; G70-T98 PolarHBondContact O-OG1 3.39Å
71K88.5Confident92Very high143 Ų14347.1 Ų47.162%0.62223%0.234SC*.G310 helixtrans-67.5-14.7177.669.3175.7-171.8170.90114.7T69T69-K71 PolarHBondContact O-N 3.04Å
72Y91.7Very high91.6Very high76 Ų7649.8 Ų49.830%0.29824%0.243SC..G310 helixtrans-96.9-17.9-178.3-59.9-65.6000113.1R68 T69 G70 E391R68-Y72 WeakPolarHBondContact CB-O 3.47Å; R68-Y72 WeakPolarHBondContact CD-O 3.31Å; T69-Y72 PolarHBondContact O-N 3.47Å; G70-Y72 PolarHBondContact O-N 2.99Å; Y72-E391 HydrophobicContact CD1-CB 3.94Å; Y72-E391 HydrophobicContact CD1-CG 3.49Å; Y72-E391 VanDerWaalsContact CD1-CG 3.49Å; Y72-E391 WeakPolarHBondContact CD1-OE2 3.16Å; Y72-E391 HydrophobicContact CD2-CG 3.98Å; Y72-E391 HydrophobicContact CE1-CB 3.56Å; Y72-E391 HydrophobicContact CE1-CG 3.58Å; Y72-E391 HydrophobicContact CE2-CG 4.07Å; Y72-E391 HydrophobicContact CG-CG 3.68Å
73A92.1Very high91.3Very high6 Ų653.2 Ų53.25%0.0526%0.257CS..SBendtrans-68.8149.917000000110.6T69 G70T69-A73 PolarHBondContact O-N 3.01Å; G70-A73 PolarHBondContact O-N 3.37Å
74K91.7Very high90.9Very high55 Ų5554.9 Ų54.924%0.23927%0.268CS..  trans-64.2139.5172.8-77-173.7155.8-160.60109.9W26 E28 T100 Y112W26-K74 HydrophobicContact CH2-CB 4.25Å; W26-K74 HydrophobicContact CZ2-CB 4.45Å; W26-K74 WeakPolarHBondContact CZ2-O 3.29Å; E28-K74 VanDerWaalsContact CD-NZ 3.28Å; E28-K74 WeakPolarHBondContact OE1-CD 3.45Å; E28-K74 WeakPolarHBondContact OE1-CE 3.5Å; E28-K74 IonicContact OE1-NZ 3.91Å; E28-K74 PolarHBondContact OE1-NZ 3.38Å; E28-K74 VanDerWaalsContact OE1-NZ 3.16Å; E28-K74 IonicContact OE2-NZ 2.68Å; E28-K74 PolarHBondContact OE2-NZ 3.39Å; K74-T100 PolarHBondContact N-OG1 3.12Å; K74-Y112 HydrophobicContact CD-CD1 3.82Å; K74-Y112 HydrophobicContact CD-CE1 4.47Å; K74-Y112 HydrophobicContact CD-CG 3.98Å
75L89.3Confident90.3Very high61 Ų6155.3 Ų55.332%0.31927%0.269SS..  trans-107.9140173.4-60.3-179000110K77 L87 L95 T98L75-K77 PolarHBondContact O-N 3.18Å; L75-L87 HydrophobicContact CD2-CD2 4.31Å; L75-L95 HydrophobicContact CD1-CD2 4.37Å; L75-L95 HydrophobicContact CD2-CD2 4.2Å; L75-T98 HydrophobicContact CD2-CG2 3.76Å
76P89.3Confident89.7Confident4 Ų458.7 Ų58.73%0.02629%0.288CS..  trans-70131.4179.426.7-31.1000110.9W26 V81 R82 F85 L87W26-P76 HydrophobicContact CD2-CB 4.18Å; W26-P76 HydrophobicContact CE3-CB 3.85Å; W26-P76 VanDerWaalsContact CH2-CA 3.5Å; W26-P76 HydrophobicContact CH2-CB 3.84Å; W26-P76 HydrophobicContact CH2-CG 4.44Å; W26-P76 HydrophobicContact CZ2-CB 4.12Å; W26-P76 HydrophobicContact CZ2-CG 4.27Å; W26-P76 HydrophobicContact CZ3-CB 3.68Å; P76-V81 HydrophobicContact CB-CB 4.01Å; P76-V81 HydrophobicContact CB-CG1 3.56Å; P76-V81 HydrophobicContact CG-CG1 3.92Å; P76-R82 WeakPolarHBondContact O-CG 3.3Å; P76-R82 PolarHBondContact O-NH1 2.99Å; P76-R82 VanDerWaalsContact O-NH1 3.15Å; P76-F85 HydrophobicContact CG-CD2 4.01Å; P76-F85 HydrophobicContact CG-CE2 4.33Å; P76-L87 HydrophobicContact CG-CD1 3.36Å
77K88.6Confident88.9Confident179 Ų17959.1 Ų59.178%0.77829%0.291SS*.  trans-85.8-30.6178.1-60.7-179.2-178.8179.70112.4L75L75-K77 PolarHBondContact O-N 3.18Å
78H88Confident87.9Confident75 Ų7563.1 Ų63.135%0.34731%0.312SS..SBendtrans-75.5122.4-173.7-172.4-75.1000112.2T31 K80 V81 R82T31-H78 VanDerWaalsContact CG2-CE1 3.47Å; T31-H78 WeakPolarHBondContact CG2-CE1 3.43Å; T31-H78 WeakPolarHBondContact CG2-NE2 3.35Å; H78-K80 PolarHBondContact ND1-N 3.39Å; H78-K80 PolarHBondContact O-N 2.97Å; H78-K80 VanDerWaalsContact O-N 3.16Å; H78-V81 HydrophobicContact CB-CG2 4.49Å; H78-V81 PolarHBondContact O-N 3.05Å; H78-R82 PolarHBondContact O-N 3Å; H78-R82 VanDerWaalsContact O-N 3.13Å
79P86.4Confident87.1Confident84 Ų8468.5 Ų68.555%0.54534%0.336SS..Hα-helixtrans-52.4-43.1-171.8-3136.1000115.5V81 R82 N83P79-V81 PolarHBondContact O-N 2.96Å; P79-V81 VanDerWaalsContact O-N 3.15Å; P79-R82 WeakPolarHBondContact O-CB 3.45Å; P79-R82 PolarHBondContact O-N 3.44Å; P79-N83 PolarHBondContact O-N 3.11Å; P79-N83 PolarHBondContact O-OD1 3.39Å
80K86.8Confident85.8Confident143 Ų14373.5 Ų73.562%0.62237%0.369SS*.Hα-helixtrans-55.9-33.9176.5-66.7-178.3-178.6179.60113.5H78 V84H78-K80 PolarHBondContact ND1-N 3.39Å; H78-K80 PolarHBondContact O-N 2.97Å; H78-K80 VanDerWaalsContact O-N 3.16Å; K80-V84 WeakPolarHBondContact O-CG2 3.31Å
81V87.1Confident84.7Confident2 Ų280.4 Ų80.41%0.01240%0.401CS..Hα-helixtrans-84.2-31.6178.8-176.20000110.8W26 T33 P76 H78 P79 V84 F85W26-V81 HydrophobicContact CB-CG1 4.33Å; W26-V81 HydrophobicContact CG-CG1 4.41Å; T33-V81 HydrophobicContact CG2-CG1 3.9Å; P76-V81 HydrophobicContact CB-CB 4.01Å; P76-V81 HydrophobicContact CB-CG1 3.56Å; P76-V81 HydrophobicContact CG-CG1 3.92Å; H78-V81 HydrophobicContact CB-CG2 4.49Å; H78-V81 PolarHBondContact O-N 3.05Å; P79-V81 PolarHBondContact O-N 2.96Å; P79-V81 VanDerWaalsContact O-N 3.15Å; V81-V84 PolarHBondContact O-N 3.07Å; V81-F85 HydrophobicContact CG1-CD2 4.12Å; V81-F85 HydrophobicContact CG1-CE2 3.63Å; V81-F85 VanDerWaalsContact O-CD2 3.3Å; V81-F85 WeakPolarHBondContact O-CD2 3.33Å; V81-F85 PolarHBondContact O-N 3.34Å
82R88.6Confident83.8Confident60 Ų6075 Ų7523%0.22638%0.381CS..Hα-helixtrans-61-47.1172.2-63.2-176.265.180.1-3.6111.9P76 H78 P79 V84 F85 N86 L87 D88P76-R82 WeakPolarHBondContact O-CG 3.3Å; P76-R82 PolarHBondContact O-NH1 2.99Å; P76-R82 VanDerWaalsContact O-NH1 3.15Å; H78-R82 PolarHBondContact O-N 3Å; H78-R82 VanDerWaalsContact O-N 3.13Å; P79-R82 WeakPolarHBondContact O-CB 3.45Å; P79-R82 PolarHBondContact O-N 3.44Å; R82-V84 VanDerWaalsContact C-N 3.32Å; R82-V84 PolarHBondContact O-N 3.44Å; R82-F85 CarbonylContact O-C 3.53Å; R82-F85 PolarHBondContact O-N 2.71Å; R82-F85 VanDerWaalsContact O-N 3.11Å; R82-N86 PolarHBondContact O-N 2.86Å; R82-N86 VanDerWaalsContact O-N 3.11Å; R82-L87 HydrophobicContact CB-CB 4.13Å; R82-L87 HydrophobicContact CB-CD1 4.45Å; R82-L87 HydrophobicContact CG-CD1 4.46Å; R82-L87 PolarHBondContact O-N 2.79Å; R82-L87 VanDerWaalsContact O-N 3.11Å; R82-D88 VanDerWaalsContact CB-OD2 3.3Å; R82-D88 WeakPolarHBondContact CB-OD2 3.14Å; R82-D88 IonicContact CZ-OD1 3.3Å; R82-D88 VanDerWaalsContact CZ-OD1 3.27Å; R82-D88 IonicContact CZ-OD2 3.48Å; R82-D88 IonicContact NE-OD1 2.68Å; R82-D88 PolarHBondContact NE-OD1 2.89Å; R82-D88 IonicContact NE-OD2 3.09Å; R82-D88 PolarHBondContact NE-OD2 3.34Å; R82-D88 IonicContact NH2-OD1 3.66Å; R82-D88 PolarHBondContact NH2-OD1 3.2Å; R82-D88 IonicContact NH2-OD2 3.26Å
83N86.1Confident83.2Confident101 Ų10174.9 Ų74.954%0.5439%0.386SS..Hα-helixtrans-60.3-38.9177.7-65.912.4000112.1P79 F85 N86P79-N83 PolarHBondContact O-N 3.11Å; P79-N83 PolarHBondContact O-OD1 3.39Å; N83-F85 PolarHBondContact O-N 3.01Å; N83-N86 PolarHBondContact O-N 3.42Å; N83-N86 VanDerWaalsContact O-N 3.16Å; N83-N86 PolarHBondContact O-OD1 2.78Å
84V85.9Confident82.6Confident81 Ų8176.3 Ų76.349%0.49139%0.392SS..Hα-helixtrans-62.7-25.2177.8168.10000112.9T33 K80 V81 R82T33-V84 HydrophobicContact CG2-CB 4.48Å; T33-V84 HydrophobicContact CG2-CG1 3.99Å; K80-V84 WeakPolarHBondContact O-CG2 3.31Å; V81-V84 PolarHBondContact O-N 3.07Å; R82-V84 VanDerWaalsContact C-N 3.32Å; R82-V84 PolarHBondContact O-N 3.44Å
85F85.6Confident82.3Confident15 Ų1576.8 Ų76.87%0.06640%0.397CS..THydrogen-bonded Turntrans-107.38.9177.5-56.2-49000113.7T24 W26 T33 P76 V81 R82 N83 L87 F116T24-F85 HydrophobicContact CG2-CE1 3.73Å; T24-F85 HydrophobicContact CG2-CZ 3.85Å; W26-F85 AromaticContact CD1-CE2 3.65Å; W26-F85 AromaticContact CD1-CZ 3.82Å; W26-F85 HydrophobicContact CG-CE2 4.07Å; W26-F85 HydrophobicContact CG-CZ 4.37Å; T33-F85 HydrophobicContact CG2-CE2 4.26Å; T33-F85 HydrophobicContact CG2-CZ 3.84Å; P76-F85 HydrophobicContact CG-CD2 4.01Å; P76-F85 HydrophobicContact CG-CE2 4.33Å; V81-F85 HydrophobicContact CG1-CD2 4.12Å; V81-F85 HydrophobicContact CG1-CE2 3.63Å; V81-F85 VanDerWaalsContact O-CD2 3.3Å; V81-F85 WeakPolarHBondContact O-CD2 3.33Å; V81-F85 PolarHBondContact O-N 3.34Å; R82-F85 CarbonylContact O-C 3.53Å; R82-F85 PolarHBondContact O-N 2.71Å; R82-F85 VanDerWaalsContact O-N 3.11Å; N83-F85 PolarHBondContact O-N 3.01Å; F85-L87 HydrophobicContact CB-CD1 3.96Å; F85-L87 HydrophobicContact CB-CG 4.2Å; F85-L87 HydrophobicContact CD2-CD1 4.21Å; F85-L87 PolarHBondContact O-N 3.44Å; F85-F116 HydrophobicContact CB-CD2 4.25Å; F85-F116 HydrophobicContact CB-CE1 4.21Å; F85-F116 HydrophobicContact CB-CE2 3.91Å; F85-F116 HydrophobicContact CB-CZ 3.87Å; F85-F116 HydrophobicContact CD1-CB 3.92Å; F85-F116 AromaticContact CD1-CD1 3.54Å; F85-F116 HydrophobicContact CD1-CD1 3.54Å; F85-F116 HydrophobicContact CD1-CD2 4.06Å; F85-F116 AromaticContact CD1-CE1 3.96Å; F85-F116 HydrophobicContact CD1-CE1 3.96Å; F85-F116 HydrophobicContact CD1-CE2 4.45Å; F85-F116 AromaticContact CD1-CG 3.58Å; F85-F116 HydrophobicContact CD1-CG 3.58Å; F85-F116 HydrophobicContact CD1-CZ 4.39Å; F85-F116 HydrophobicContact CD2-CD2 4.34Å; F85-F116 HydrophobicContact CE1-CB 3.58Å; F85-F116 AromaticContact CE1-CD1 3.99Å; F85-F116 HydrophobicContact CE1-CD1 3.99Å; F85-F116 AromaticContact CE1-CG 3.8Å; F85-F116 HydrophobicContact CE1-CG 3.8Å; F85-F116 HydrophobicContact CE2-CB 4.43Å; F85-F116 HydrophobicContact CG-CB 4.49Å; F85-F116 HydrophobicContact CG-CD1 4.2Å; F85-F116 AromaticContact CG-CD2 3.97Å; F85-F116 HydrophobicContact CG-CD2 3.97Å; F85-F116 HydrophobicContact CG-CE1 4.36Å; F85-F116 HydrophobicContact CG-CE2 4.16Å; F85-F116 AromaticContact CG-CG 3.98Å; F85-F116 HydrophobicContact CG-CG 3.98Å; F85-F116 HydrophobicContact CG-CZ 4.33Å; F85-F116 HydrophobicContact CZ-CB 3.86Å; F85-F116 HydrophobicContact CZ-CG 4.36Å
86N82.8Confident82.1Confident88 Ų8875.1 Ų75.147%0.47139%0.392SS..THydrogen-bonded Turntrans51.533.4-176.1-64.9-24.3000114.1R82 N83 D88 F89 S92R82-N86 PolarHBondContact O-N 2.86Å; R82-N86 VanDerWaalsContact O-N 3.11Å; N83-N86 PolarHBondContact O-N 3.42Å; N83-N86 VanDerWaalsContact O-N 3.16Å; N83-N86 PolarHBondContact O-OD1 2.78Å; N86-D88 PolarHBondContact O-N 3.23Å; N86-D88 VanDerWaalsContact O-N 3.15Å; N86-F89 HydrophobicContact CB-CD2 3.62Å; N86-F89 HydrophobicContact CB-CE2 4.14Å; N86-F89 HydrophobicContact CB-CG 4.38Å; N86-F89 PolarHBondContact O-N 3.31Å; N86-S92 WeakPolarHBondContact O-CB 3.5Å; N86-S92 PolarHBondContact O-OG 3.4Å
87L81.1Confident82.2Confident10 Ų1077.1 Ų77.15%0.05240%0.4CS..THydrogen-bonded Turntrans-63.7-19.3-173.3-93.7154.1000115.3L75 P76 R82 F85 H94L75-L87 HydrophobicContact CD2-CD2 4.31Å; P76-L87 HydrophobicContact CG-CD1 3.36Å; R82-L87 HydrophobicContact CB-CB 4.13Å; R82-L87 HydrophobicContact CB-CD1 4.45Å; R82-L87 HydrophobicContact CG-CD1 4.46Å; R82-L87 PolarHBondContact O-N 2.79Å; R82-L87 VanDerWaalsContact O-N 3.11Å; F85-L87 HydrophobicContact CB-CD1 3.96Å; F85-L87 HydrophobicContact CB-CG 4.2Å; F85-L87 HydrophobicContact CD2-CD1 4.21Å; F85-L87 PolarHBondContact O-N 3.44Å; L87-H94 HydrophobicContact CD2-CB 4.16Å; L87-H94 WeakPolarHBondContact CD2-CD2 3.48Å; L87-H94 HydrophobicContact CG-CB 4.49Å
88D77.6Confident82.4Confident92 Ų9268.8 Ų68.849%0.49236%0.364SS..THydrogen-bonded Turntrans-102.28.7-177.5-58.9-67.6000112.8R82 N86R82-D88 VanDerWaalsContact CB-OD2 3.3Å; R82-D88 WeakPolarHBondContact CB-OD2 3.14Å; R82-D88 IonicContact CZ-OD1 3.3Å; R82-D88 VanDerWaalsContact CZ-OD1 3.27Å; R82-D88 IonicContact CZ-OD2 3.48Å; R82-D88 IonicContact NE-OD1 2.68Å; R82-D88 PolarHBondContact NE-OD1 2.89Å; R82-D88 IonicContact NE-OD2 3.09Å; R82-D88 PolarHBondContact NE-OD2 3.34Å; R82-D88 IonicContact NH2-OD1 3.66Å; R82-D88 PolarHBondContact NH2-OD1 3.2Å; R82-D88 IonicContact NH2-OD2 3.26Å; N86-D88 PolarHBondContact O-N 3.23Å; N86-D88 VanDerWaalsContact O-N 3.15Å
89F78.2Confident82.7Confident126 Ų12665.2 Ų65.255%0.55335%0.348SS*.SBendtrans-95.7131.2175.2-70.7-96.3000111.3N86 D91 S92N86-F89 HydrophobicContact CB-CD2 3.62Å; N86-F89 HydrophobicContact CB-CE2 4.14Å; N86-F89 HydrophobicContact CB-CG 4.38Å; N86-F89 PolarHBondContact O-N 3.31Å; F89-D91 PolarHBondContact O-N 3.47Å; F89-S92 VanDerWaalsContact O-CB 3.28Å; F89-S92 WeakPolarHBondContact O-CB 3.21Å; F89-S92 PolarHBondContact O-N 2.94Å; F89-S92 VanDerWaalsContact O-N 3.16Å; F89-S92 PolarHBondContact O-OG 3.03Å
90P67.3Low83.3Confident125 Ų12561.3 Ų61.381%0.81232%0.322SS*.THydrogen-bonded Turntrans-56.5-43.7-174.6-28.736000115.3S92P90-S92 PolarHBondContact O-N 3.33Å
91D66.5Low83.8Confident162 Ų16254.5 Ų54.587%0.86629%0.293SS*.THydrogen-bonded Turntrans-81.27.8-176.5-51.2-67.3000113.7F89 N93F89-D91 PolarHBondContact O-N 3.47Å; D91-N93 PolarHBondContact O-N 3.03Å
92S69.1Low84.3Confident29 Ų2954.4 Ų54.420%0.20329%0.292CS..  trans-77.6108.3-175.5660000112N86 F89 P90 H94N86-S92 WeakPolarHBondContact O-CB 3.5Å; N86-S92 PolarHBondContact O-OG 3.4Å; F89-S92 VanDerWaalsContact O-CB 3.28Å; F89-S92 WeakPolarHBondContact O-CB 3.21Å; F89-S92 PolarHBondContact O-N 2.94Å; F89-S92 VanDerWaalsContact O-N 3.16Å; F89-S92 PolarHBondContact O-OG 3.03Å; P90-S92 PolarHBondContact O-N 3.33Å; S92-H94 PolarHBondContact O-N 3.45Å; S92-H94 PolarHBondContact O-ND1 3.3Å; S92-H94 PolarHBondContact OG-ND1 3.3Å
93N78.3Confident84.7Confident75 Ų7552 Ų5240%0.40128%0.284SS..  trans-72.551.9168.4-167.817.2000112.1D91 A96 E120D91-N93 PolarHBondContact O-N 3.03Å; N93-A96 WeakPolarHBondContact ND2-CB 3.36Å; N93-A96 WeakPolarHBondContact OD1-CB 3.46Å; N93-E120 PolarHBondContact ND2-OE2 3.09Å
94H81.1Confident85.1Confident35 Ų3547.4 Ų47.416%0.16226%0.261CS..  trans-74.2-32.7-173.262.1-102.2000112.2L87 S92 A96 K97 T98 F116L87-H94 HydrophobicContact CD2-CB 4.16Å; L87-H94 WeakPolarHBondContact CD2-CD2 3.48Å; L87-H94 HydrophobicContact CG-CB 4.49Å; S92-H94 PolarHBondContact O-N 3.45Å; S92-H94 PolarHBondContact O-ND1 3.3Å; S92-H94 PolarHBondContact OG-ND1 3.3Å; H94-A96 VanDerWaalsContact C-N 3.3Å; H94-A96 PolarHBondContact O-N 3.27Å; H94-K97 WeakPolarHBondContact O-CB 3.48Å; H94-K97 PolarHBondContact O-N 3.36Å; H94-T98 PolarHBondContact O-N 2.98Å; H94-F116 HydrophobicContact CB-CE2 4.1Å; H94-F116 HydrophobicContact CB-CZ 4.05Å
95L84.3Confident85.4Confident66 Ų6647.3 Ų47.335%0.34626%0.262SS..G310 helixtrans-63-34.6177.4-62.4-179.5000111.9G70 L75 K97 T98G70-L95 VanDerWaalsContact CA-O 3.25Å; G70-L95 WeakPolarHBondContact CA-O 3.49Å; G70-L95 PolarHBondContact N-O 2.84Å; L75-L95 HydrophobicContact CD1-CD2 4.37Å; L75-L95 HydrophobicContact CD2-CD2 4.2Å; L95-K97 PolarHBondContact O-N 2.83Å; L95-K97 VanDerWaalsContact O-N 3.11Å; L95-T98 PolarHBondContact O-N 2.91Å; L95-T98 PolarHBondContact O-OG1 3.39Å; L95-T98 VanDerWaalsContact O-OG1 3.07Å
96A85.2Confident85.6Confident26 Ų2647.9 Ų47.922%0.21527%0.266CS..G310 helixtrans-72.83.3174.300000114.3N93 H94 T123N93-A96 WeakPolarHBondContact ND2-CB 3.36Å; N93-A96 WeakPolarHBondContact OD1-CB 3.46Å; H94-A96 VanDerWaalsContact C-N 3.3Å; H94-A96 PolarHBondContact O-N 3.27Å; A96-T123 PolarHBondContact O-OG1 2.67Å
97K91.1Very high86Confident46 Ų4643.9 Ų43.920%0.224%0.244CC..G310 helixtrans-120.5-9.5179.5-62.7171.8-171.9169.90113.1H94 L95 F116 A117 E120 T123H94-K97 WeakPolarHBondContact O-CB 3.48Å; H94-K97 PolarHBondContact O-N 3.36Å; L95-K97 PolarHBondContact O-N 2.83Å; L95-K97 VanDerWaalsContact O-N 3.11Å; K97-F116 HydrophobicContact CB-CD1 4.03Å; K97-F116 HydrophobicContact CB-CD2 4.18Å; K97-F116 HydrophobicContact CB-CE1 3.68Å; K97-F116 HydrophobicContact CB-CE2 3.83Å; K97-F116 HydrophobicContact CB-CG 4.28Å; K97-F116 HydrophobicContact CB-CZ 3.58Å; K97-F116 HydrophobicContact CD-CE1 3.61Å; K97-F116 HydrophobicContact CD-CZ 3.8Å; K97-F116 HydrophobicContact CG-CE1 4.24Å; K97-F116 HydrophobicContact CG-CZ 4.29Å; K97-F116 CarbonylContact O-C 3.55Å; K97-F116 WeakPolarHBondContact O-CA 3.38Å; K97-A117 PolarHBondContact O-N 3.08Å; K97-E120 HydrophobicContact CD-CG 4.3Å; K97-E120 VanDerWaalsContact CE-CD 3.46Å; K97-E120 WeakPolarHBondContact CE-OE1 3.44Å; K97-E120 HydrophobicContact CG-CG 4.16Å; K97-E120 IonicContact NZ-OE1 2.75Å; K97-E120 PolarHBondContact NZ-OE1 3.47Å; K97-T123 WeakPolarHBondContact O-CG2 3.31Å
98T92.9Very high86.5Confident3 Ų345.8 Ų45.82%0.01826%0.256CS..EExtended strand (participates in β ladder)trans-82.6138.2-179.950.40000112.3G70 L75 H94 L95 F116G70-T98 PolarHBondContact N-OG1 3.18Å; G70-T98 PolarHBondContact O-OG1 3.39Å; L75-T98 HydrophobicContact CD2-CG2 3.76Å; H94-T98 PolarHBondContact O-N 2.98Å; L95-T98 PolarHBondContact O-N 2.91Å; L95-T98 PolarHBondContact O-OG1 3.39Å; L95-T98 VanDerWaalsContact O-OG1 3.07Å; T98-F116 HydrophobicContact CG2-CD2 3.93Å; T98-F116 HydrophobicContact CG2-CE2 4.02Å
99L95.9Very high87.3Confident1 Ų146.2 Ų46.21%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-142.2125.7173.5175.564.3000109.6F23 M38 R68 T69 I101 F115 T123 W126 A127F23-L99 HydrophobicContact CE1-CD2 3.81Å; F23-L99 HydrophobicContact CZ-CD2 4.07Å; M38-L99 HydrophobicContact CE-CD2 3.84Å; R68-L99 CarbonylContact O-C 3.56Å; R68-L99 WeakPolarHBondContact O-CA 3.38Å; T69-L99 HydrophobicContact CG2-CD1 4.12Å; L99-I101 HydrophobicContact CG-CG1 4.44Å; L99-F115 HydrophobicContact CB-CB 4.37Å; L99-F115 PolarHBondContact N-O 3.36Å; L99-F115 PolarHBondContact O-N 3.47Å; L99-T123 HydrophobicContact CB-CG2 3.96Å; L99-W126 HydrophobicContact CD2-CB 4.34Å; L99-A127 HydrophobicContact CD1-CB 3.95Å
100T97.4Very high88.2Confident2 Ų241.6 Ų41.61%0.01224%0.239CC..EExtended strand (participates in β ladder)trans-118.8124.6170.4-69.80000109T67 R68 K74 V102 Y112 H113 N114T67-T100 CarbonylContact C-O 3.57Å; T67-T100 WeakPolarHBondContact CA-O 3.38Å; R68-T100 PolarHBondContact N-O 3.4Å; R68-T100 PolarHBondContact O-N 2.9Å; K74-T100 PolarHBondContact N-OG1 3.12Å; T100-V102 HydrophobicContact CG2-CG2 4.04Å; T100-Y112 HydrophobicContact CG2-CD1 4Å; T100-H113 WeakPolarHBondContact CA-O 3.29Å; T100-N114 VanDerWaalsContact CG2-OD1 3.31Å; T100-N114 WeakPolarHBondContact CG2-OD1 3.48Å; T100-N114 PolarHBondContact OG1-OD1 3.29Å
101I97.8Very high89.5Confident0 Ų039.2 Ų39.20%022%0.223CC..EExtended strand (participates in β ladder)trans-101.9127.8169.5-52.3177.2000107.9M38 V47 L59 I64 T67 L99 H113 F115 I130M38-I101 HydrophobicContact SD-CD1 4.31Å; V47-I101 HydrophobicContact CG1-CD1 4.42Å; L59-I101 HydrophobicContact CD2-CB 4.48Å; L59-I101 HydrophobicContact CD2-CG2 3.75Å; I64-I101 HydrophobicContact CD1-CG2 4.01Å; I64-I101 HydrophobicContact CG1-CG2 4.09Å; I64-I101 HydrophobicContact CG2-CG2 3.96Å; T67-I101 HydrophobicContact CG2-CG1 4.43Å; T67-I101 HydrophobicContact CG2-CG2 4.36Å; L99-I101 HydrophobicContact CG-CG1 4.44Å; I101-H113 HydrophobicContact CB-CB 4.38Å; I101-H113 PolarHBondContact N-O 3.07Å; I101-H113 PolarHBondContact O-N 3.32Å; I101-F115 HydrophobicContact CD1-CE2 4.1Å; I101-F115 HydrophobicContact CG1-CE2 4.37Å; I101-I130 HydrophobicContact CD1-CD1 4.07Å
102V97.8Very high90.9Very high0 Ų034.3 Ų34.30%019%0.192CC..EExtended strand (participates in β ladder)trans-106.3130.9179.5-169.80000109R65 D66 T100 L110 T111 Y112R65-V102 PolarHBondContact N-O 3.44Å; D66-V102 HydrophobicContact CB-CB 3.99Å; D66-V102 HydrophobicContact CB-CG2 4.06Å; D66-V102 PolarHBondContact N-O 2.91Å; D66-V102 PolarHBondContact O-N 2.97Å; T100-V102 HydrophobicContact CG2-CG2 4.04Å; V102-L110 HydrophobicContact CG1-CB 4.14Å; V102-L110 HydrophobicContact CG1-CD1 4.24Å; V102-L110 HydrophobicContact CG1-CD2 4.19Å; V102-L110 HydrophobicContact CG1-CG 4.43Å; V102-T111 WeakPolarHBondContact CA-O 3.43Å; V102-Y112 HydrophobicContact CG1-CD1 4.36Å; V102-Y112 HydrophobicContact CG1-CE1 4.09Å; V102-Y112 HydrophobicContact CG2-CD1 3.86Å; V102-Y112 HydrophobicContact CG2-CE1 3.91Å
103S97.1Very high92.2Very high8 Ų834.2 Ų34.26%0.05619%0.189CC..EExtended strand (participates in β ladder)trans-142.7142.1-17862.70000112.1T63 T111 H113T63-S103 CarbonylContact O-C 3.6Å; T63-S103 WeakPolarHBondContact O-CA 3.26Å; T63-S103 WeakPolarHBondContact O-CB 3.3Å; S103-T111 PolarHBondContact N-O 3.08Å; S103-T111 PolarHBondContact O-N 2.77Å; S103-H113 PolarHBondContact OG-NE2 3.38Å
104G94.8Very high93.1Very high5 Ų530.8 Ų30.85%0.05217%0.17CC..  trans-173150.6178.200000115.5T63 R65 D106 N109T63-G104 PolarHBondContact O-N 2.87Å; R65-G104 PolarHBondContact NE-O 3.36Å; R65-G104 PolarHBondContact NH2-O 2.91Å; G104-D106 PolarHBondContact O-N 2.87Å; G104-N109 WeakPolarHBondContact CA-O 3.49Å
105P91.6Very high93.7Very high80 Ų8029.2 Ų29.252%0.51916%0.163SC..SBendtrans-59.8-25.1178.224.7-35.1000113.7R65 N109 S798R65-P105 VanDerWaalsContact NH2-C 3.25Å; R65-P105 PolarHBondContact NH2-O 2.9Å; P105-N109 WeakPolarHBondContact CD-O 3.39Å; P105-N109 HydrophobicContact CG-CB 4.04Å; P105-S798 WeakPolarHBondContact O-CB 3.2Å; P105-S798 PolarHBondContact O-OG 3.17Å
106D90.9Very high94.2Very high27 Ų2727 Ų2714%0.14415%0.151CC..SBendtrans-142.8-157.2178.456.472.4000109.9R65 G104 V108 N109 M648R65-D106 PolarHBondContact NE-O 2.87Å; R65-D106 VanDerWaalsContact NH2-CA 3.29Å; R65-D106 PolarHBondContact NH2-O 3.16Å; G104-D106 PolarHBondContact O-N 2.87Å; D106-V108 WeakPolarHBondContact OD1-CA 3.31Å; D106-V108 PolarHBondContact OD1-N 3.33Å; D106-N109 PolarHBondContact OD1-N 2.96Å; D106-N109 PolarHBondContact OD1-ND2 3.29Å; D106-N109 WeakPolarHBondContact OD2-CB 3.48Å; D106-N109 PolarHBondContact OD2-ND2 3.44Å; D106-M648 HydrophobicContact CB-CE 4.14Å; D106-M648 HydrophobicContact CB-CG 4.28Å
107M89.4Confident94.6Very high3 Ų326 Ų262%0.01514%0.142CC..SBendtrans-94.7-12-178.4-59.9-164.1-157.500114M342 Q345 S349 Y645 M648 M656M107-M342 HydrophobicContact CB-CE 4.47Å; M107-Q345 HydrophobicContact CB-CB 3.81Å; M107-Q345 HydrophobicContact CB-CG 4.39Å; M107-Q345 HydrophobicContact CG-CB 4.06Å; M107-Q345 HydrophobicContact SD-CB 4.08Å; M107-S349 VanDerWaalsContact CE-CB 3.45Å; M107-Y645 HydrophobicContact CE-CD1 3.71Å; M107-Y645 HydrophobicContact CE-CE1 4.24Å; M107-Y645 HydrophobicContact SD-CD1 3.81Å; M107-M648 HydrophobicContact CE-CE 4.19Å; M107-M648 HydrophobicContact CG-CE 4Å; M107-M656 HydrophobicContact CE-CE 3.8Å; M107-M656 HydrophobicContact CE-SD 3.73Å
108V93.2Very high94.5Very high51 Ų5127.1 Ų27.131%0.30916%0.156SC..SBendtrans-104.1-45.4-176.9178.30000110.5D106 L110 M342 Q646D106-V108 WeakPolarHBondContact OD1-CA 3.31Å; D106-V108 PolarHBondContact OD1-N 3.33Å; V108-L110 VanDerWaalsContact C-N 3.28Å; V108-L110 PolarHBondContact O-N 3.39Å; V108-M342 HydrophobicContact CG2-CE 4.14Å; V108-M342 HydrophobicContact CG2-SD 3.89Å; V108-Q646 HydrophobicContact CG2-CB 3.91Å
109N94.4Very high94.3Very high101 Ų10132.5 Ų32.554%0.5418%0.179SC..SBendtrans-80.268.9-177-66.8-59.4000111.8G104 P105 D106G104-N109 WeakPolarHBondContact CA-O 3.49Å; P105-N109 WeakPolarHBondContact CD-O 3.39Å; P105-N109 HydrophobicContact CG-CB 4.04Å; D106-N109 PolarHBondContact OD1-N 2.96Å; D106-N109 PolarHBondContact OD1-ND2 3.29Å; D106-N109 WeakPolarHBondContact OD2-CB 3.48Å; D106-N109 PolarHBondContact OD2-ND2 3.44Å
110L95.7Very high93.3Very high29 Ų2936.7 Ų36.715%0.15220%0.198CC..  trans-96.1135.2-174.1-56.8175.7000113.1R65 V102 V108 Y112 E341 Q345R65-L110 HydrophobicContact CG-CD2 4.23Å; V102-L110 HydrophobicContact CG1-CB 4.14Å; V102-L110 HydrophobicContact CG1-CD1 4.24Å; V102-L110 HydrophobicContact CG1-CD2 4.19Å; V102-L110 HydrophobicContact CG1-CG 4.43Å; V108-L110 VanDerWaalsContact C-N 3.28Å; V108-L110 PolarHBondContact O-N 3.39Å; L110-Y112 HydrophobicContact CB-CE2 4.12Å; L110-E341 HydrophobicContact CD1-CG 3.48Å; L110-E341 VanDerWaalsContact CD1-CG 3.48Å; L110-Q345 HydrophobicContact CD1-CG 3.84Å; L110-Q345 HydrophobicContact CD2-CG 4.42Å
111T96.2Very high92.5Very high75 Ų7544.6 Ų44.646%0.4623%0.233SC..EExtended strand (participates in β ladder)trans-107.7136.7169.8-56.60000110V102 S103V102-T111 WeakPolarHBondContact CA-O 3.43Å; S103-T111 PolarHBondContact N-O 3.08Å; S103-T111 PolarHBondContact O-N 2.77Å
112Y95.9Very high92.1Very high58 Ų5846.1 Ų46.123%0.22724%0.242CC..EExtended strand (participates in β ladder)trans-110.8117.5-178.5-62.2-93.2000110.7K74 T100 V102 L110 E341K74-Y112 HydrophobicContact CD-CD1 3.82Å; K74-Y112 HydrophobicContact CD-CE1 4.47Å; K74-Y112 HydrophobicContact CD-CG 3.98Å; T100-Y112 HydrophobicContact CG2-CD1 4Å; V102-Y112 HydrophobicContact CG1-CD1 4.36Å; V102-Y112 HydrophobicContact CG1-CE1 4.09Å; V102-Y112 HydrophobicContact CG2-CD1 3.86Å; V102-Y112 HydrophobicContact CG2-CE1 3.91Å; L110-Y112 HydrophobicContact CB-CE2 4.12Å; Y112-E341 WeakPolarHBondContact OH-CG 3.45Å
113H96.1Very high91.8Very high27 Ų2746.3 Ų46.313%0.12524%0.243CC..EExtended strand (participates in β ladder)trans-102.7102.7175.7-52.4-84000109W49 T100 I101 S103 F115W49-H113 HydrophobicContact CH2-CB 4.46Å; W49-H113 AromaticContact CH2-ND1 3.71Å; T100-H113 WeakPolarHBondContact CA-O 3.29Å; I101-H113 HydrophobicContact CB-CB 4.38Å; I101-H113 PolarHBondContact N-O 3.07Å; I101-H113 PolarHBondContact O-N 3.32Å; S103-H113 PolarHBondContact OG-NE2 3.38Å; H113-F115 HydrophobicContact CB-CD2 4.49Å; H113-F115 HydrophobicContact CB-CE2 3.58Å; H113-F115 HydrophobicContact CB-CZ 4.04Å; H113-F115 WeakPolarHBondContact O-CD2 3.27Å; H113-F115 WeakPolarHBondContact O-CE2 3.32Å
114N95.8Very high91.6Very high3 Ų349.7 Ų49.72%0.01626%0.258CS..EExtended strand (participates in β ladder)trans-97.6131.7-175.4-57.9-30.9000111.8K25 W26 T100K25-N114 WeakPolarHBondContact CA-O 3.33Å; K25-N114 WeakPolarHBondContact CG-O 3.3Å; W26-N114 HydrophobicContact CD2-CB 3.89Å; W26-N114 HydrophobicContact CE3-CB 4.48Å; W26-N114 HydrophobicContact CG-CB 4.31Å; W26-N114 HydrophobicContact CH2-CB 4.16Å; W26-N114 VanDerWaalsContact CH2-ND2 3.31Å; W26-N114 WeakPolarHBondContact CH2-ND2 3.12Å; W26-N114 HydrophobicContact CZ2-CB 3.54Å; W26-N114 PolarHBondContact N-O 3.21Å; W26-N114 VanDerWaalsContact N-O 3.09Å; T100-N114 VanDerWaalsContact CG2-OD1 3.31Å; T100-N114 WeakPolarHBondContact CG2-OD1 3.48Å; T100-N114 PolarHBondContact OG1-OD1 3.29Å
115F95.3Very high91.5Very high2 Ų253.8 Ų53.81%0.00928%0.279CS..EExtended strand (participates in β ladder)trans-134.7151.7-176.7-57.4-85.4000111.1F23 T24 K25 V36 M38 W49 L99 I101 H113F23-F115 HydrophobicContact CB-CB 4.2Å; F23-F115 HydrophobicContact CB-CD1 4.19Å; F23-F115 HydrophobicContact CD1-CB 3.82Å; F23-F115 HydrophobicContact CG-CB 4.28Å; T24-F115 CarbonylContact O-C 3.58Å; T24-F115 WeakPolarHBondContact O-CA 3.41Å; K25-F115 HydrophobicContact CB-CD1 3.89Å; K25-F115 HydrophobicContact CB-CE1 3.94Å; K25-F115 HydrophobicContact CD-CE1 3.94Å; K25-F115 HydrophobicContact CD-CZ 4.37Å; K25-F115 HydrophobicContact CG-CD1 3.98Å; K25-F115 HydrophobicContact CG-CE1 3.75Å; K25-F115 HydrophobicContact CG-CZ 4.41Å; V36-F115 HydrophobicContact CG2-CD1 4.37Å; V36-F115 HydrophobicContact CG2-CE1 4.32Å; M38-F115 HydrophobicContact SD-CE1 4.13Å; M38-F115 HydrophobicContact SD-CE2 4.1Å; M38-F115 HydrophobicContact SD-CZ 3.9Å; W49-F115 HydrophobicContact CD2-CE1 4.05Å; W49-F115 AromaticContact CD2-CZ 3.9Å; W49-F115 HydrophobicContact CD2-CZ 3.9Å; W49-F115 HydrophobicContact CE3-CE1 4.24Å; W49-F115 AromaticContact CE3-CZ 3.7Å; W49-F115 HydrophobicContact CE3-CZ 3.7Å; W49-F115 HydrophobicContact CG-CE1 4.35Å; W49-F115 HydrophobicContact CH2-CZ 4.05Å; W49-F115 HydrophobicContact CZ2-CZ 4.23Å; W49-F115 AromaticContact CZ3-CZ 3.78Å; W49-F115 HydrophobicContact CZ3-CZ 3.78Å; L99-F115 HydrophobicContact CB-CB 4.37Å; L99-F115 PolarHBondContact N-O 3.36Å; L99-F115 PolarHBondContact O-N 3.47Å; I101-F115 HydrophobicContact CD1-CE2 4.1Å; I101-F115 HydrophobicContact CG1-CE2 4.37Å; H113-F115 HydrophobicContact CB-CD2 4.49Å; H113-F115 HydrophobicContact CB-CE2 3.58Å; H113-F115 HydrophobicContact CB-CZ 4.04Å; H113-F115 WeakPolarHBondContact O-CD2 3.27Å; H113-F115 WeakPolarHBondContact O-CE2 3.32Å
116F93.7Very high91.7Very high21 Ų2150 Ų509%0.09225%0.254CS..EExtended strand (participates in β ladder)trans-126120.7172.6-161.4-93000109.3F23 T24 F85 H94 K97 T98F23-F116 CarbonylContact C-O 3.48Å; F23-F116 VanDerWaalsContact CA-O 3.3Å; F23-F116 WeakPolarHBondContact CA-O 3.36Å; T24-F116 PolarHBondContact N-O 2.79Å; T24-F116 PolarHBondContact O-N 3.42Å; F85-F116 HydrophobicContact CB-CD2 4.25Å; F85-F116 HydrophobicContact CB-CE1 4.21Å; F85-F116 HydrophobicContact CB-CE2 3.91Å; F85-F116 HydrophobicContact CB-CZ 3.87Å; F85-F116 HydrophobicContact CD1-CB 3.92Å; F85-F116 AromaticContact CD1-CD1 3.54Å; F85-F116 HydrophobicContact CD1-CD1 3.54Å; F85-F116 HydrophobicContact CD1-CD2 4.06Å; F85-F116 AromaticContact CD1-CE1 3.96Å; F85-F116 HydrophobicContact CD1-CE1 3.96Å; F85-F116 HydrophobicContact CD1-CE2 4.45Å; F85-F116 AromaticContact CD1-CG 3.58Å; F85-F116 HydrophobicContact CD1-CG 3.58Å; F85-F116 HydrophobicContact CD1-CZ 4.39Å; F85-F116 HydrophobicContact CD2-CD2 4.34Å; F85-F116 HydrophobicContact CE1-CB 3.58Å; F85-F116 AromaticContact CE1-CD1 3.99Å; F85-F116 HydrophobicContact CE1-CD1 3.99Å; F85-F116 AromaticContact CE1-CG 3.8Å; F85-F116 HydrophobicContact CE1-CG 3.8Å; F85-F116 HydrophobicContact CE2-CB 4.43Å; F85-F116 HydrophobicContact CG-CB 4.49Å; F85-F116 HydrophobicContact CG-CD1 4.2Å; F85-F116 AromaticContact CG-CD2 3.97Å; F85-F116 HydrophobicContact CG-CD2 3.97Å; F85-F116 HydrophobicContact CG-CE1 4.36Å; F85-F116 HydrophobicContact CG-CE2 4.16Å; F85-F116 AromaticContact CG-CG 3.98Å; F85-F116 HydrophobicContact CG-CG 3.98Å; F85-F116 HydrophobicContact CG-CZ 4.33Å; F85-F116 HydrophobicContact CZ-CB 3.86Å; F85-F116 HydrophobicContact CZ-CG 4.36Å; H94-F116 HydrophobicContact CB-CE2 4.1Å; H94-F116 HydrophobicContact CB-CZ 4.05Å; K97-F116 HydrophobicContact CB-CD1 4.03Å; K97-F116 HydrophobicContact CB-CD2 4.18Å; K97-F116 HydrophobicContact CB-CE1 3.68Å; K97-F116 HydrophobicContact CB-CE2 3.83Å; K97-F116 HydrophobicContact CB-CG 4.28Å; K97-F116 HydrophobicContact CB-CZ 3.58Å; K97-F116 HydrophobicContact CD-CE1 3.61Å; K97-F116 HydrophobicContact CD-CZ 3.8Å; K97-F116 HydrophobicContact CG-CE1 4.24Å; K97-F116 HydrophobicContact CG-CZ 4.29Å; K97-F116 CarbonylContact O-C 3.55Å; K97-F116 WeakPolarHBondContact O-CA 3.38Å; T98-F116 HydrophobicContact CG2-CD2 3.93Å; T98-F116 HydrophobicContact CG2-CE2 4.02Å
117A93.5Very high92Very high3 Ų348.8 Ų48.83%0.02525%0.248CC..EExtended strand (participates in β ladder)trans-75.4145.1-174.300000112.5F23 K97 K119 T123F23-A117 HydrophobicContact CD1-CB 3.89Å; F23-A117 HydrophobicContact CE1-CB 3.73Å; K97-A117 PolarHBondContact O-N 3.08Å; A117-K119 VanDerWaalsContact C-N 3.32Å; A117-K119 WeakPolarHBondContact CB-O 3.35Å; A117-T123 HydrophobicContact CB-CG2 3.65Å
118S89.7Confident92.2Very high71 Ų7152.7 Ų52.750%0.49727%0.269SS..SBendtrans-73.8-25174-52.10000112.8R22R22-S118 WeakPolarHBondContact CB-OG 3.34Å; R22-S118 WeakPolarHBondContact O-CB 3.14Å; R22-S118 PolarHBondContact O-N 3.47Å; R22-S118 PolarHBondContact O-OG 3.23Å
119K87.6Confident92.3Very high116 Ų11651.8 Ų51.850%0.50426%0.262SS..SBendtrans-115.9150.6-179.2-59.5-179.1-162.2154.70110.5E21 A117 V122E21-K119 VanDerWaalsContact OE1-CE 3.31Å; E21-K119 WeakPolarHBondContact OE1-CE 3.26Å; E21-K119 IonicContact OE1-NZ 2.68Å; E21-K119 PolarHBondContact OE1-NZ 2.72Å; E21-K119 VanDerWaalsContact OE2-CD 3.29Å; E21-K119 WeakPolarHBondContact OE2-CD 3.33Å; E21-K119 WeakPolarHBondContact OE2-CE 3.32Å; E21-K119 IonicContact OE2-NZ 3.27Å; E21-K119 PolarHBondContact OE2-NZ 2.6Å; A117-K119 VanDerWaalsContact C-N 3.32Å; A117-K119 WeakPolarHBondContact CB-O 3.35Å; K119-V122 HydrophobicContact CB-CG2 3.77Å; K119-V122 HydrophobicContact CD-CG2 4.45Å
120E76.1Confident92.4Very high88 Ų8847 Ų4741%0.41124%0.236SC..SBendtrans-79.6154.3176.8-70.1-177.2-158.700112.2N93 K97 V122N93-E120 PolarHBondContact ND2-OE2 3.09Å; K97-E120 HydrophobicContact CD-CG 4.3Å; K97-E120 VanDerWaalsContact CE-CD 3.46Å; K97-E120 WeakPolarHBondContact CE-OE1 3.44Å; K97-E120 HydrophobicContact CG-CG 4.16Å; K97-E120 IonicContact NZ-OE1 2.75Å; K97-E120 PolarHBondContact NZ-OE1 3.47Å; E120-V122 PolarHBondContact O-N 2.65Å
121K80Confident92.4Very high168 Ų16846.6 Ų46.673%0.7323%0.234SC*.SBendtrans64.7-4.9178.3-51.7-178.6-178.2-179.90116
122V89.4Confident92.4Very high32 Ų3245.3 Ų45.319%0.19424%0.236CC..Hα-helixtrans-73.8-31.5-179.8-179.20000112.6E21 K119 E120 Q124 W126E21-V122 HydrophobicContact CG-CG1 4.06Å; K119-V122 HydrophobicContact CB-CG2 3.77Å; K119-V122 HydrophobicContact CD-CG2 4.45Å; E120-V122 PolarHBondContact O-N 2.65Å; V122-Q124 VanDerWaalsContact C-N 3.33Å; V122-Q124 PolarHBondContact O-N 3.2Å; V122-W126 HydrophobicContact CG1-CG 4.41Å; V122-W126 VanDerWaalsContact O-CD1 3.24Å; V122-W126 PolarHBondContact O-N 3.24Å
123T91.6Very high92.3Very high5 Ų543 Ų433%0.03123%0.227CC..Hα-helixtrans-62.6-34.2-174.452.80000114.4F23 T69 A96 K97 L99 A117 W126 A127F23-T123 HydrophobicContact CE1-CG2 4.34Å; T69-T123 WeakPolarHBondContact CG2-O 3.44Å; A96-T123 PolarHBondContact O-OG1 2.67Å; K97-T123 WeakPolarHBondContact O-CG2 3.31Å; L99-T123 HydrophobicContact CB-CG2 3.96Å; A117-T123 HydrophobicContact CB-CG2 3.65Å; T123-W126 PolarHBondContact O-N 3.24Å; T123-A127 WeakPolarHBondContact O-CB 3.44Å; T123-A127 PolarHBondContact O-N 3.21Å
124Q92.8Very high92.3Very high78 Ų7842.4 Ų42.436%0.36423%0.227SC..Hα-helixtrans-64.7-53.8-177.8-169.557.441.500111.4T69 V122 W126 A127 D128T69-Q124 PolarHBondContact OG1-OE1 3.15Å; V122-Q124 VanDerWaalsContact C-N 3.33Å; V122-Q124 PolarHBondContact O-N 3.2Å; Q124-W126 VanDerWaalsContact C-N 3.29Å; Q124-W126 PolarHBondContact O-N 3.3Å; Q124-A127 WeakPolarHBondContact O-CB 3.42Å; Q124-A127 PolarHBondContact O-N 3.41Å; Q124-D128 WeakPolarHBondContact CG-OD2 3.45Å; Q124-D128 PolarHBondContact NE2-OD1 3.4Å; Q124-D128 PolarHBondContact NE2-OD2 3.28Å; Q124-D128 PolarHBondContact O-N 2.97Å
125N93.7Very high92.2Very high91 Ų9144.4 Ų44.449%0.48724%0.235SC..Hα-helixtrans-58-42.7177.6-58.58.3000111.2Y16 A127 D129Y16-N125 WeakPolarHBondContact OH-CB 3.13Å; Y16-N125 PolarHBondContact OH-O 3.18Å; Y16-N125 VanDerWaalsContact OH-O 3.04Å; N125-A127 VanDerWaalsContact C-N 3.35Å; N125-A127 PolarHBondContact O-N 3.39Å; N125-D129 WeakPolarHBondContact O-CB 3.2Å; N125-D129 PolarHBondContact O-N 2.92Å
126W95.6Very high92Very high2 Ų245.9 Ų45.91%0.00824%0.243CC..Hα-helixtrans-60.8-40.3176-86.472.8000112.7Y16 L17 E21 F23 M38 L99 V122 T123 Q124 I130Y16-W126 HydrophobicContact CD2-CZ2 4.38Å; Y16-W126 AromaticContact CD2-NE1 3.49Å; Y16-W126 AromaticContact CE2-CD1 3.47Å; Y16-W126 VanDerWaalsContact CE2-CD1 3.47Å; Y16-W126 HydrophobicContact CE2-CD2 4.35Å; Y16-W126 AromaticContact CE2-CE2 3.95Å; Y16-W126 HydrophobicContact CE2-CG 4.1Å; Y16-W126 AromaticContact CE2-NE1 3.41Å; L17-W126 HydrophobicContact CD2-CD2 3.64Å; L17-W126 HydrophobicContact CD2-CE3 3.63Å; L17-W126 HydrophobicContact CD2-CG 4.17Å; L17-W126 HydrophobicContact CD2-CH2 4.06Å; L17-W126 HydrophobicContact CD2-CZ2 4.09Å; L17-W126 HydrophobicContact CD2-CZ3 3.83Å; E21-W126 HydrophobicContact CB-CZ2 3.79Å; F23-W126 HydrophobicContact CE2-CD2 4.22Å; F23-W126 HydrophobicContact CE2-CE3 4.37Å; F23-W126 HydrophobicContact CE2-CZ2 4.37Å; F23-W126 HydrophobicContact CZ-CD2 4.04Å; F23-W126 HydrophobicContact CZ-CE3 4.41Å; F23-W126 HydrophobicContact CZ-CG 4.2Å; M38-W126 HydrophobicContact CB-CH2 4.49Å; M38-W126 HydrophobicContact CB-CZ3 4.36Å; M38-W126 HydrophobicContact CE-CE3 3.72Å; M38-W126 HydrophobicContact CE-CZ3 3.85Å; M38-W126 HydrophobicContact CG-CH2 4.44Å; M38-W126 HydrophobicContact CG-CZ3 3.9Å; M38-W126 VanDerWaalsContact O-CH2 3.31Å; M38-W126 WeakPolarHBondContact O-CH2 3.27Å; M38-W126 HydrophobicContact SD-CZ3 4.49Å; L99-W126 HydrophobicContact CD2-CB 4.34Å; V122-W126 HydrophobicContact CG1-CG 4.41Å; V122-W126 VanDerWaalsContact O-CD1 3.24Å; V122-W126 PolarHBondContact O-N 3.24Å; T123-W126 PolarHBondContact O-N 3.24Å; Q124-W126 VanDerWaalsContact C-N 3.29Å; Q124-W126 PolarHBondContact O-N 3.3Å; W126-I130 HydrophobicContact CE3-CD1 3.92Å; W126-I130 WeakPolarHBondContact O-CB 3.33Å; W126-I130 WeakPolarHBondContact O-CD1 3.43Å; W126-I130 WeakPolarHBondContact O-CG1 3.46Å; W126-I130 PolarHBondContact O-N 2.94Å; W126-I130 VanDerWaalsContact O-N 3.15Å
127A95.6Very high91.9Very high1 Ų145.7 Ų45.71%0.00825%0.245CC..Hα-helixtrans-66.7-56176.500000111.3T67 T69 L99 T123 Q124 N125 D129 I130 L131T67-A127 PolarHBondContact OG1-O 3.12Å; T67-A127 VanDerWaalsContact OG1-O 3.04Å; T69-A127 HydrophobicContact CG2-CB 3.62Å; L99-A127 HydrophobicContact CD1-CB 3.95Å; T123-A127 WeakPolarHBondContact O-CB 3.44Å; T123-A127 PolarHBondContact O-N 3.21Å; Q124-A127 WeakPolarHBondContact O-CB 3.42Å; Q124-A127 PolarHBondContact O-N 3.41Å; N125-A127 VanDerWaalsContact C-N 3.35Å; N125-A127 PolarHBondContact O-N 3.39Å; A127-D129 VanDerWaalsContact C-N 3.34Å; A127-D129 PolarHBondContact O-N 3.31Å; A127-I130 PolarHBondContact O-N 2.84Å; A127-L131 WeakPolarHBondContact O-CB 3.1Å; A127-L131 PolarHBondContact O-N 2.67Å
128D94.8Very high91.7Very high84 Ų8446.2 Ų46.245%0.44925%0.249SC..Hα-helixtrans-60.3-42.2-174.4-64.8-34000112Q124 G132Q124-D128 WeakPolarHBondContact CG-OD2 3.45Å; Q124-D128 PolarHBondContact NE2-OD1 3.4Å; Q124-D128 PolarHBondContact NE2-OD2 3.28Å; Q124-D128 PolarHBondContact O-N 2.97Å; D128-G132 PolarHBondContact O-N 3.36Å
129D95.8Very high91.7Very high33 Ų3345 Ų4518%0.17623%0.234CC..Hα-helixtrans-75.1-36.9179.4-70-38.4000112.8K14 Y16 L17 N125 A127 L131 G132 I133K14-D129 VanDerWaalsContact CD-OD2 3.32Å; K14-D129 WeakPolarHBondContact CD-OD2 3.37Å; K14-D129 WeakPolarHBondContact CE-OD1 3.11Å; K14-D129 IonicContact NZ-OD1 2.85Å; K14-D129 PolarHBondContact NZ-OD1 3.19Å; K14-D129 IonicContact NZ-OD2 2.95Å; K14-D129 PolarHBondContact NZ-OD2 3.14Å; Y16-D129 PolarHBondContact OH-OD2 3.07Å; L17-D129 HydrophobicContact CD1-CB 4.19Å; N125-D129 WeakPolarHBondContact O-CB 3.2Å; N125-D129 PolarHBondContact O-N 2.92Å; A127-D129 VanDerWaalsContact C-N 3.34Å; A127-D129 PolarHBondContact O-N 3.31Å; D129-L131 VanDerWaalsContact C-N 3.33Å; D129-L131 PolarHBondContact O-N 3.02Å; D129-G132 PolarHBondContact O-N 3.09Å; D129-I133 WeakPolarHBondContact O-CD1 3.27Å; D129-I133 WeakPolarHBondContact O-CG1 3.48Å; D129-I133 PolarHBondContact O-N 3.3Å
130I96.6Very high91.8Very high0 Ų040.2 Ų40.20%022%0.215CC..Hα-helixtrans-61.8-43.5172-74.7171.4000110.5M40 V47 I64 T67 I101 W126 A127 I133 A134M40-I130 HydrophobicContact CE-CG1 3.72Å; V47-I130 HydrophobicContact CG2-CD1 3.9Å; V47-I130 HydrophobicContact CG2-CG1 4.13Å; V47-I130 HydrophobicContact CG2-CG2 4.43Å; I64-I130 HydrophobicContact CD1-CG2 3.64Å; I64-I130 HydrophobicContact CG2-CG2 4.41Å; T67-I130 HydrophobicContact CG2-CB 4.13Å; T67-I130 HydrophobicContact CG2-CG2 3.72Å; I101-I130 HydrophobicContact CD1-CD1 4.07Å; W126-I130 HydrophobicContact CE3-CD1 3.92Å; W126-I130 WeakPolarHBondContact O-CB 3.33Å; W126-I130 WeakPolarHBondContact O-CD1 3.43Å; W126-I130 WeakPolarHBondContact O-CG1 3.46Å; W126-I130 PolarHBondContact O-N 2.94Å; W126-I130 VanDerWaalsContact O-N 3.15Å; A127-I130 PolarHBondContact O-N 2.84Å; I130-I133 PolarHBondContact O-N 2.92Å; I130-A134 WeakPolarHBondContact O-CB 3.26Å; I130-A134 PolarHBondContact O-N 3.32Å
131L95.8Very high92.5Very high21 Ų2136.6 Ų36.611%0.1120%0.198CC..Hα-helixtrans-67.3-40.9-179.7-164.866.3000111.8A127 D129 I133 A134 Y135 K395A127-L131 WeakPolarHBondContact O-CB 3.1Å; A127-L131 PolarHBondContact O-N 2.67Å; D129-L131 VanDerWaalsContact C-N 3.33Å; D129-L131 PolarHBondContact O-N 3.02Å; L131-I133 VanDerWaalsContact C-N 3.33Å; L131-I133 PolarHBondContact O-N 3.3Å; L131-A134 PolarHBondContact O-N 3.02Å; L131-Y135 HydrophobicContact CD1-CD2 3.8Å; L131-Y135 HydrophobicContact CD1-CE2 3.76Å; L131-Y135 HydrophobicContact CG-CD2 4.24Å; L131-Y135 PolarHBondContact O-N 2.69Å; L131-K395 HydrophobicContact CD2-CB 4.45Å; L131-K395 HydrophobicContact CD2-CD 4.4Å
132G94.7Very high93.1Very high48 Ų4829.5 Ų29.550%0.49517%0.17SC..Hα-helixtrans-60-40.2174.800000113.1D128 D129 N136D128-G132 PolarHBondContact O-N 3.36Å; D129-G132 PolarHBondContact O-N 3.09Å; G132-N136 PolarHBondContact O-N 3.28Å
133I95.4Very high93.3Very high8 Ų828.8 Ų28.84%0.04117%0.167CC..Hα-helixtrans-71.5-43.6176.1-63.4167.5000110.8P11 V13 L17 M40 V61 D129 I130 L131 Y135 N136P11-I133 HydrophobicContact CB-CB 4.31Å; P11-I133 HydrophobicContact CB-CG1 4.05Å; P11-I133 HydrophobicContact CB-CG2 3.89Å; P11-I133 HydrophobicContact CG-CG2 4.38Å; V13-I133 HydrophobicContact CG2-CD1 4.29Å; L17-I133 HydrophobicContact CD1-CD1 4.19Å; M40-I133 HydrophobicContact CE-CD1 3.96Å; M40-I133 HydrophobicContact SD-CD1 3.57Å; M40-I133 VanDerWaalsContact SD-CD1 3.57Å; M40-I133 HydrophobicContact SD-CG2 4.49Å; V61-I133 HydrophobicContact CG1-CG2 3.94Å; D129-I133 WeakPolarHBondContact O-CD1 3.27Å; D129-I133 WeakPolarHBondContact O-CG1 3.48Å; D129-I133 PolarHBondContact O-N 3.3Å; I130-I133 PolarHBondContact O-N 2.92Å; L131-I133 VanDerWaalsContact C-N 3.33Å; L131-I133 PolarHBondContact O-N 3.3Å; I133-Y135 VanDerWaalsContact C-N 3.33Å; I133-Y135 PolarHBondContact O-N 2.96Å; I133-N136 WeakPolarHBondContact O-CB 3.41Å; I133-N136 PolarHBondContact O-N 3.47Å
134A95Very high93.4Very high15 Ų1529 Ų2912%0.12417%0.167CC..Hα-helixtrans-61-38178.500000113.2V61 I64 I130 L131V61-A134 HydrophobicContact CG1-CB 3.95Å; I64-A134 HydrophobicContact CB-CB 4.07Å; I64-A134 HydrophobicContact CG2-CB 4.26Å; I130-A134 WeakPolarHBondContact O-CB 3.26Å; I130-A134 PolarHBondContact O-N 3.32Å; L131-A134 PolarHBondContact O-N 3.02Å
135Y93.1Very high93.5Very high46 Ų4628.5 Ų28.518%0.1817%0.165CC..THydrogen-bonded Turntrans-90.71.6-179.7-82.1-96.3000114.6R65 L131 I133 A137 L348 T396 R664R65-Y135 PolarHBondContact O-OH 3.13Å; L131-Y135 HydrophobicContact CD1-CD2 3.8Å; L131-Y135 HydrophobicContact CD1-CE2 3.76Å; L131-Y135 HydrophobicContact CG-CD2 4.24Å; L131-Y135 PolarHBondContact O-N 2.69Å; I133-Y135 VanDerWaalsContact C-N 3.33Å; I133-Y135 PolarHBondContact O-N 2.96Å; Y135-A137 PolarHBondContact O-N 2.81Å; Y135-L348 VanDerWaalsContact CE1-O 3.23Å; Y135-L348 WeakPolarHBondContact CE1-O 3.36Å; Y135-T396 HydrophobicContact CD1-CG2 3.58Å; Y135-T396 HydrophobicContact CD2-CG2 4.14Å; Y135-T396 HydrophobicContact CE1-CG2 3.64Å; Y135-T396 HydrophobicContact CE2-CG2 4.19Å; Y135-T396 HydrophobicContact CG-CG2 3.85Å; Y135-R664 PolarHBondContact O-NH1 2.69Å
136N92.4Very high93.5Very high32 Ų3225.3 Ų25.317%0.17115%0.149CC..  trans-61.5123.6-179.7178.8-76.5000112.4D9 P11 G132 I133 A138 R139 T140D9-N136 PolarHBondContact O-ND2 2.95Å; P11-N136 HydrophobicContact CB-CB 4.28Å; G132-N136 PolarHBondContact O-N 3.28Å; I133-N136 WeakPolarHBondContact O-CB 3.41Å; I133-N136 PolarHBondContact O-N 3.47Å; N136-A138 WeakPolarHBondContact OD1-CA 3.34Å; N136-A138 WeakPolarHBondContact OD1-CB 3.45Å; N136-A138 PolarHBondContact OD1-N 2.88Å; N136-A138 VanDerWaalsContact OD1-N 3.08Å; N136-R139 HydrophobicContact CB-CB 4.11Å; N136-R139 PolarHBondContact O-N 3.07Å; N136-R139 WeakPolarHBondContact OD1-CB 3.05Å; N136-R139 PolarHBondContact OD1-N 2.93Å; N136-T140 PolarHBondContact O-N 3.24Å; N136-T140 VanDerWaalsContact O-N 3.13Å; N136-T140 PolarHBondContact O-OG1 3.27Å
137A90.3Very high93.5Very high17 Ų1725.7 Ų25.714%0.1415%0.15CC..Hα-helixtrans-68.7-38.1-17500000113.2L8 Y135 T140 N141L8-A137 HydrophobicContact CD1-CB 3.86Å; L8-A137 HydrophobicContact CD2-CB 4.08Å; Y135-A137 PolarHBondContact O-N 2.81Å; A137-T140 PolarHBondContact O-N 2.99Å; A137-N141 WeakPolarHBondContact O-CB 3.28Å; A137-N141 PolarHBondContact O-N 2.87Å; A137-N141 PolarHBondContact O-ND2 3.29Å
138A89.4Confident93.4Very high14 Ų1426.6 Ų26.612%0.11616%0.155CC..Hα-helixtrans-63.7-40.3175.600000111.7L8 N136 N141 A142L8-A138 HydrophobicContact CB-CB 4.03Å; N136-A138 WeakPolarHBondContact OD1-CA 3.34Å; N136-A138 WeakPolarHBondContact OD1-CB 3.45Å; N136-A138 PolarHBondContact OD1-N 2.88Å; N136-A138 VanDerWaalsContact OD1-N 3.08Å; A138-N141 CarbonylContact O-C 3.52Å; A138-N141 VanDerWaalsContact O-C 3.32Å; A138-N141 PolarHBondContact O-N 3.07Å; A138-A142 WeakPolarHBondContact O-CA 3.39Å; A138-A142 PolarHBondContact O-N 3.31Å
139R89.8Confident93.5Very high47 Ų4724.8 Ų24.818%0.17714%0.144CC..Hα-helixtrans-68.4-35.7178.5-165.251.534.6160-16.8112.3P11 K43 F45 N136 N141P11-R139 HydrophobicContact CG-CB 4.1Å; P11-R139 HydrophobicContact CG-CG 4.12Å; K43-R139 PolarHBondContact O-NH1 3.4Å; F45-R139 VanDerWaalsContact CE1-NH1 3.27Å; N136-R139 HydrophobicContact CB-CB 4.11Å; N136-R139 PolarHBondContact O-N 3.07Å; N136-R139 WeakPolarHBondContact OD1-CB 3.05Å; N136-R139 PolarHBondContact OD1-N 2.93Å; R139-N141 VanDerWaalsContact C-N 3.35Å
140T89.8Confident93.4Very high15 Ų1523.5 Ų23.59%0.09214%0.137CC..Hα-helixtrans-74.9-25175.3-33.90000112.7N136 A137 R664 R795 P801N136-T140 PolarHBondContact O-N 3.24Å; N136-T140 VanDerWaalsContact O-N 3.13Å; N136-T140 PolarHBondContact O-OG1 3.27Å; A137-T140 PolarHBondContact O-N 2.99Å; T140-R664 VanDerWaalsContact CG2-NH2 3.25Å; T140-R664 PolarHBondContact OG1-NH2 3.14Å; T140-R795 VanDerWaalsContact CG2-NH2 3.32Å; T140-R795 PolarHBondContact O-NH2 3.2Å; T140-P801 HydrophobicContact CG2-CB 4.42Å; T140-P801 HydrophobicContact CG2-CG 3.74Å
141N91.6Very high93.4Very high12 Ų1223.6 Ų23.66%0.06414%0.137CC..THydrogen-bonded Turntrans-115.930.8-178-63.9-84.9000112.2A137 A138 R139 L306 E660 R778 R795A137-N141 WeakPolarHBondContact O-CB 3.28Å; A137-N141 PolarHBondContact O-N 2.87Å; A137-N141 PolarHBondContact O-ND2 3.29Å; A138-N141 CarbonylContact O-C 3.52Å; A138-N141 VanDerWaalsContact O-C 3.32Å; A138-N141 PolarHBondContact O-N 3.07Å; R139-N141 VanDerWaalsContact C-N 3.35Å; N141-L306 HydrophobicContact CB-CD1 3.6Å; N141-L306 VanDerWaalsContact CG-CD1 3.47Å; N141-E660 PolarHBondContact ND2-OE1 3.46Å; N141-R778 PolarHBondContact OD1-NH1 3.45Å; N141-R778 PolarHBondContact OD1-NH2 3.28Å; N141-R795 PolarHBondContact ND2-NH2 3.26Å; N141-R795 PolarHBondContact OD1-NH2 2.79Å
142A91.8Very high93.3Very high18 Ų1824.9 Ų24.915%0.14914%0.141CC..  trans-68.6160.3-178.900000112A138 V146 F147A138-A142 WeakPolarHBondContact O-CA 3.39Å; A138-A142 PolarHBondContact O-N 3.31Å; A142-V146 HydrophobicContact CB-CB 3.76Å; A142-V146 HydrophobicContact CB-CG1 3.63Å; A142-V146 HydrophobicContact CB-CG2 4.24Å; A142-F147 HydrophobicContact CB-CE2 4.18Å; A142-F147 WeakPolarHBondContact O-CE2 3.49Å
143C92.9Very high93.3Very high18 Ų1823.7 Ų23.712%0.12212%0.123CC..  trans-71.6167.7175.2630000112.6Q145 V146 F147 M294 G295C143-Q145 VanDerWaalsContact C-N 3.27Å; C143-Q145 PolarHBondContact O-N 3.45Å; C143-V146 PolarHBondContact O-N 2.88Å; C143-V146 VanDerWaalsContact O-N 3.12Å; C143-F147 WeakPolarHBondContact O-CD2 3.43Å; C143-M294 WeakPolarHBondContact CB-O 3.29Å; C143-G295 VanDerWaalsContact CB-C 3.4Å; C143-G295 WeakPolarHBondContact CB-O 3.46Å
144R94.7Very high93.3Very high8 Ų827.7 Ų27.73%0.0314%0.137CC..Hα-helixtrans-58.6-37.3-176.7-177.753.8170.6172.2-9.2112.8V146 F147 L148 M294 H791 T803 L804R144-V146 VanDerWaalsContact C-N 3.31Å; R144-V146 PolarHBondContact O-N 3.46Å; R144-F147 PolarHBondContact O-N 2.88Å; R144-L148 PolarHBondContact O-N 3.26Å; R144-M294 HydrophobicContact CB-CB 4.11Å; R144-M294 HydrophobicContact CB-CG 4.21Å; R144-M294 HydrophobicContact CG-CB 4.42Å; R144-M294 HydrophobicContact CG-CE 4.4Å; R144-M294 HydrophobicContact CG-CG 4.09Å; R144-M294 PolarHBondContact N-O 2.89Å; R144-H791 HydrophobicContact CB-CB 3.75Å; R144-H791 HydrophobicContact CG-CB 4.16Å; R144-T803 PolarHBondContact NH1-O 3.02Å; R144-T803 VanDerWaalsContact NH1-O 3.13Å; R144-L804 VanDerWaalsContact CZ-O 3.27Å; R144-L804 PolarHBondContact NH1-O 3.4Å; R144-L804 PolarHBondContact NH2-O 3.44Å
145Q94.3Very high93.2Very high68 Ų6827.1 Ų27.132%0.31813%0.132SC..Hα-helixtrans-55.4-43.6176.7-176.7-179.8-0.700112.4C143 F147 L148 E149 M294C143-Q145 VanDerWaalsContact C-N 3.27Å; C143-Q145 PolarHBondContact O-N 3.45Å; Q145-F147 VanDerWaalsContact C-N 3.34Å; Q145-F147 PolarHBondContact O-N 2.84Å; Q145-L148 PolarHBondContact O-N 3.28Å; Q145-L148 VanDerWaalsContact O-N 3.13Å; Q145-E149 PolarHBondContact O-N 3.09Å; Q145-M294 WeakPolarHBondContact CB-O 3.24Å; Q145-M294 PolarHBondContact N-O 3.39Å
146V94.3Very high93.2Very high25 Ų2526.3 Ų26.315%0.15213%0.133CC..Hα-helixtrans-66.7-34.7-178.8173.70000111.7F45 A142 C143 R144 L148 K150F45-V146 HydrophobicContact CE1-CG1 3.69Å; F45-V146 HydrophobicContact CZ-CG1 3.69Å; F45-V146 WeakPolarHBondContact CZ-O 3.29Å; A142-V146 HydrophobicContact CB-CB 3.76Å; A142-V146 HydrophobicContact CB-CG1 3.63Å; A142-V146 HydrophobicContact CB-CG2 4.24Å; C143-V146 PolarHBondContact O-N 2.88Å; C143-V146 VanDerWaalsContact O-N 3.12Å; R144-V146 VanDerWaalsContact C-N 3.31Å; R144-V146 PolarHBondContact O-N 3.46Å; V146-L148 VanDerWaalsContact C-N 3.33Å; V146-K150 WeakPolarHBondContact O-CB 3.36Å; V146-K150 PolarHBondContact O-N 2.98Å
147F95.3Very high93.1Very high9 Ų927.1 Ų27.14%0.03914%0.137CC..Hα-helixtrans-71.8-25.5174.1-72.7-71.5000113.4A142 C143 R144 Q145 I151 C793 P801 T803A142-F147 HydrophobicContact CB-CE2 4.18Å; A142-F147 WeakPolarHBondContact O-CE2 3.49Å; C143-F147 WeakPolarHBondContact O-CD2 3.43Å; R144-F147 PolarHBondContact O-N 2.88Å; Q145-F147 VanDerWaalsContact C-N 3.34Å; Q145-F147 PolarHBondContact O-N 2.84Å; F147-I151 WeakPolarHBondContact O-CG1 3.46Å; F147-I151 PolarHBondContact O-N 3.48Å; F147-C793 HydrophobicContact CD2-CB 4.08Å; F147-C793 VanDerWaalsContact CD2-SG 3.56Å; F147-C793 HydrophobicContact CE2-CB 4.01Å; F147-P801 HydrophobicContact CE1-CB 3.84Å; F147-P801 HydrophobicContact CE1-CG 4.42Å; F147-P801 HydrophobicContact CZ-CB 3.73Å; F147-T803 HydrophobicContact CB-CG2 4.47Å; F147-T803 HydrophobicContact CD1-CG2 4.29Å; F147-T803 WeakPolarHBondContact O-CG2 3.24Å
148L94.8Very high93.1Very high21 Ų2128.9 Ų28.911%0.1114%0.143CC..Hα-helixtrans-80.5-38.7172.1-60.6178.5000111.9R144 Q145 V146 K150 I151 Y152 F208 L212 M294R144-L148 PolarHBondContact O-N 3.26Å; Q145-L148 PolarHBondContact O-N 3.28Å; Q145-L148 VanDerWaalsContact O-N 3.13Å; V146-L148 VanDerWaalsContact C-N 3.33Å; L148-K150 PolarHBondContact O-N 2.72Å; L148-I151 HydrophobicContact CD2-CD1 4.06Å; L148-I151 WeakPolarHBondContact O-CB 3.46Å; L148-I151 PolarHBondContact O-N 2.81Å; L148-Y152 PolarHBondContact O-N 2.81Å; L148-F208 WeakPolarHBondContact O-CE1 3.32Å; L148-L212 HydrophobicContact CB-CD1 4.2Å; L148-L212 HydrophobicContact CD1-CD1 3.95Å; L148-L212 HydrophobicContact CD2-CD1 3.98Å; L148-L212 HydrophobicContact CG-CD1 4.26Å; L148-M294 HydrophobicContact CD1-CE 3.31Å
149E95.1Very high93.1Very high45 Ų4530.9 Ų30.921%0.2115%0.154CC..Hα-helixtrans-56.2-41.2170.2-175.5-173.5-163.900111.4K43 F45 Q145 I151 Y152 I153K43-E149 IonicContact NZ-OE1 2.77Å; K43-E149 PolarHBondContact NZ-OE1 3.47Å; K43-E149 IonicContact NZ-OE2 2.74Å; F45-E149 HydrophobicContact CE2-CG 4.22Å; Q145-E149 PolarHBondContact O-N 3.09Å; E149-I151 VanDerWaalsContact C-N 3.3Å; E149-I151 PolarHBondContact O-N 2.83Å; E149-Y152 WeakPolarHBondContact O-CB 3.46Å; E149-Y152 PolarHBondContact O-N 2.98Å; E149-I153 HydrophobicContact CG-CD1 4.12Å; E149-I153 PolarHBondContact O-N 3.42Å
150K95.4Very high93Very high6 Ų630.9 Ų30.93%0.02616%0.157CC..Hα-helixtrans-57.1-40.2172.8-179172.2-176.2-160.40112.8F45 Y46 D60 V146 L148 R154 T803F45-K150 HydrophobicContact CB-CD 4.26Å; F45-K150 HydrophobicContact CB-CG 3.92Å; F45-K150 HydrophobicContact CD1-CB 3.87Å; F45-K150 HydrophobicContact CD1-CD 3.72Å; F45-K150 HydrophobicContact CD1-CG 3.8Å; F45-K150 HydrophobicContact CD2-CB 4.06Å; F45-K150 HydrophobicContact CD2-CG 4.28Å; F45-K150 HydrophobicContact CE1-CB 3.87Å; F45-K150 HydrophobicContact CE1-CD 4.26Å; F45-K150 HydrophobicContact CE1-CG 4.31Å; F45-K150 HydrophobicContact CE2-CB 4.06Å; F45-K150 HydrophobicContact CG-CB 3.95Å; F45-K150 HydrophobicContact CG-CD 4.14Å; F45-K150 HydrophobicContact CG-CG 3.76Å; F45-K150 HydrophobicContact CZ-CB 3.95Å; Y46-K150 HydrophobicContact CE2-CG 3.73Å; Y46-K150 VanDerWaalsContact OH-CE 3.23Å; Y46-K150 WeakPolarHBondContact OH-CE 3.46Å; D60-K150 WeakPolarHBondContact OD1-CE 3.39Å; D60-K150 IonicContact OD1-NZ 3.44Å; D60-K150 PolarHBondContact OD1-NZ 3.43Å; D60-K150 WeakPolarHBondContact OD2-CE 3.43Å; D60-K150 IonicContact OD2-NZ 3.4Å; D60-K150 PolarHBondContact OD2-NZ 2.98Å; V146-K150 WeakPolarHBondContact O-CB 3.36Å; V146-K150 PolarHBondContact O-N 2.98Å; L148-K150 PolarHBondContact O-N 2.72Å; K150-R154 WeakPolarHBondContact O-CB 3.09Å; K150-R154 PolarHBondContact O-N 3.22Å; K150-R154 VanDerWaalsContact O-N 3.08Å; K150-T803 HydrophobicContact CB-CG2 4.33Å; K150-T803 HydrophobicContact CD-CG2 3.84Å; K150-T803 HydrophobicContact CG-CG2 4.08Å; K150-T803 PolarHBondContact NZ-OG1 3.24Å; K150-T803 VanDerWaalsContact NZ-OG1 3.07Å
151I94.9Very high92.8Very high2 Ų236.8 Ų36.81%0.0118%0.181CC..Hα-helixtrans-70.2-43.5177-64.1160.3000110.8F147 L148 E149 R154 I155 M173 F174 F208 T803 L804F147-I151 WeakPolarHBondContact O-CG1 3.46Å; F147-I151 PolarHBondContact O-N 3.48Å; L148-I151 HydrophobicContact CD2-CD1 4.06Å; L148-I151 WeakPolarHBondContact O-CB 3.46Å; L148-I151 PolarHBondContact O-N 2.81Å; E149-I151 VanDerWaalsContact C-N 3.3Å; E149-I151 PolarHBondContact O-N 2.83Å; I151-R154 PolarHBondContact O-N 3.45Å; I151-I155 HydrophobicContact CG2-CD1 3.87Å; I151-I155 HydrophobicContact CG2-CG1 4.49Å; I151-I155 WeakPolarHBondContact O-CG1 3.31Å; I151-I155 PolarHBondContact O-N 3.09Å; I151-M173 HydrophobicContact CG2-CE 4.48Å; I151-M173 HydrophobicContact CG2-CG 3.82Å; I151-M173 HydrophobicContact CG2-SD 4.22Å; I151-F174 HydrophobicContact CG2-CE2 4.4Å; I151-F174 HydrophobicContact CG2-CZ 4Å; I151-F208 HydrophobicContact CB-CZ 4.17Å; I151-F208 HydrophobicContact CG2-CE2 4.34Å; I151-F208 HydrophobicContact CG2-CZ 3.94Å; I151-T803 HydrophobicContact CD1-CG2 4.09Å; I151-T803 HydrophobicContact CG1-CG2 3.72Å; I151-L804 HydrophobicContact CD1-CD2 3.49Å; I151-L804 VanDerWaalsContact CD1-CD2 3.49Å; I151-L804 HydrophobicContact CD1-CG 3.9Å
152Y95.3Very high92.5Very high49 Ų4941.7 Ų41.719%0.19221%0.207CC..Hα-helixtrans-53.9-55.2174.1169.5-113000111.2L148 E149 R154 I155 S156 F203 E205 F208L148-Y152 PolarHBondContact O-N 2.81Å; E149-Y152 WeakPolarHBondContact O-CB 3.46Å; E149-Y152 PolarHBondContact O-N 2.98Å; Y152-R154 VanDerWaalsContact C-N 3.3Å; Y152-R154 PolarHBondContact O-N 3.03Å; Y152-I155 PolarHBondContact O-N 2.89Å; Y152-I155 VanDerWaalsContact O-N 3.1Å; Y152-S156 PolarHBondContact O-N 3.35Å; Y152-S156 PolarHBondContact O-OG 3.04Å; Y152-S156 VanDerWaalsContact O-OG 3.09Å; Y152-F203 HydrophobicContact CD2-CD1 4.16Å; Y152-F203 AromaticContact CD2-CE1 3.74Å; Y152-F203 HydrophobicContact CD2-CE1 3.74Å; Y152-F203 AromaticContact CE2-CD1 3.94Å; Y152-F203 HydrophobicContact CE2-CD1 3.94Å; Y152-F203 HydrophobicContact CE2-CE1 4.01Å; Y152-F203 WeakPolarHBondContact CE2-O 3.5Å; Y152-F203 PolarHBondContact OH-O 3.14Å; Y152-E205 HydrophobicContact CE1-CB 4.23Å; Y152-E205 PolarHBondContact OH-N 2.95Å; Y152-F208 HydrophobicContact CD2-CB 3.76Å; Y152-F208 HydrophobicContact CD2-CD1 4.11Å; Y152-F208 HydrophobicContact CD2-CD2 4.43Å; Y152-F208 AromaticContact CD2-CG 3.85Å; Y152-F208 HydrophobicContact CD2-CG 3.85Å; Y152-F208 HydrophobicContact CE2-CB 4.26Å; Y152-F208 HydrophobicContact CG-CD1 4.21Å; Y152-F208 HydrophobicContact CG-CG 4.39Å
153I94.4Very high92.3Very high22 Ų2242.4 Ų42.411%0.11322%0.217CC..Hα-helixtrans-58.8-40.9179-71.9173.5000111.4D41 K43 F45 E149 I155 S156 L157D41-I153 HydrophobicContact CB-CG2 4.02Å; K43-I153 HydrophobicContact CB-CD1 4.13Å; K43-I153 HydrophobicContact CG-CD1 3.87Å; F45-I153 HydrophobicContact CD2-CD1 3.91Å; F45-I153 HydrophobicContact CE2-CD1 3.86Å; E149-I153 HydrophobicContact CG-CD1 4.12Å; E149-I153 PolarHBondContact O-N 3.42Å; I153-I155 PolarHBondContact O-N 2.67Å; I153-S156 PolarHBondContact O-N 3.23Å; I153-L157 HydrophobicContact CG2-CD1 3.68Å; I153-L157 HydrophobicContact CG2-CG 4.25Å; I153-L157 WeakPolarHBondContact O-CB 3.5Å; I153-L157 VanDerWaalsContact O-CG 3.3Å; I153-L157 WeakPolarHBondContact O-CG 3.2Å; I153-L157 PolarHBondContact O-N 3.45Å
154R94.3Very high92.3Very high93 Ų9345.4 Ų45.435%0.35123%0.228SC..Hα-helixtrans-62.4-39.8176.5-175.3166.1174-178.92.2112.9Y46 K150 I151 Y152 Q158 M173Y46-R154 HydrophobicContact CD2-CB 4.44Å; Y46-R154 HydrophobicContact CE2-CB 3.72Å; Y46-R154 HydrophobicContact CE2-CG 4.29Å; Y46-R154 WeakPolarHBondContact OH-CD 3.39Å; K150-R154 WeakPolarHBondContact O-CB 3.09Å; K150-R154 PolarHBondContact O-N 3.22Å; K150-R154 VanDerWaalsContact O-N 3.08Å; I151-R154 PolarHBondContact O-N 3.45Å; Y152-R154 VanDerWaalsContact C-N 3.3Å; Y152-R154 PolarHBondContact O-N 3.03Å; R154-Q158 WeakPolarHBondContact O-CB 3.11Å; R154-Q158 PolarHBondContact O-N 2.82Å; R154-M173 HydrophobicContact CB-CE 4.39Å; R154-M173 HydrophobicContact CG-CE 3.92Å
155I93.4Very high92.3Very high2 Ų245 Ų451%0.0123%0.226CC..Hα-helixtrans-69.9-47.3176.9-67.1168000110I151 Y152 I153 L157 Q158 I165 I170 M173 F174 F203 F208I151-I155 HydrophobicContact CG2-CD1 3.87Å; I151-I155 HydrophobicContact CG2-CG1 4.49Å; I151-I155 WeakPolarHBondContact O-CG1 3.31Å; I151-I155 PolarHBondContact O-N 3.09Å; Y152-I155 PolarHBondContact O-N 2.89Å; Y152-I155 VanDerWaalsContact O-N 3.1Å; I153-I155 PolarHBondContact O-N 2.67Å; I155-L157 VanDerWaalsContact C-N 3.33Å; I155-L157 PolarHBondContact O-N 2.86Å; I155-Q158 PolarHBondContact O-N 2.95Å; I155-Q158 VanDerWaalsContact O-N 3.12Å; I155-I165 HydrophobicContact CG2-CG2 3.71Å; I155-I170 HydrophobicContact CG2-CD1 4.45Å; I155-I170 HydrophobicContact CG2-CG1 4.07Å; I155-M173 HydrophobicContact CD1-CG 4.42Å; I155-M173 HydrophobicContact CG1-CE 4.3Å; I155-F174 HydrophobicContact CD1-CE2 4.28Å; I155-F203 HydrophobicContact CB-CE1 3.99Å; I155-F203 HydrophobicContact CB-CZ 4.25Å; I155-F203 HydrophobicContact CD1-CZ 4.38Å; I155-F203 HydrophobicContact CG2-CD1 4.31Å; I155-F203 HydrophobicContact CG2-CE1 3.53Å; I155-F203 HydrophobicContact CG2-CE2 4.47Å; I155-F203 HydrophobicContact CG2-CZ 3.62Å; I155-F208 HydrophobicContact CD1-CE2 4.15Å
156S92.6Very high92.3Very high29 Ų2943 Ų4320%0.20322%0.219CC..Hα-helixtrans-64-32.9-177.8-57.90000113.7Y152 I153 F203Y152-S156 PolarHBondContact O-N 3.35Å; Y152-S156 PolarHBondContact O-OG 3.04Å; Y152-S156 VanDerWaalsContact O-OG 3.09Å; I153-S156 PolarHBondContact O-N 3.23Å; S156-F203 WeakPolarHBondContact OG-CD1 3.44Å
157L90.9Very high92.3Very high49 Ų4941.8 Ų41.826%0.25721%0.212SC..Hα-helixtrans-79.5-22.3174.6-67.3174.4000113.4D41 Y48 F58 I153 I155 T159D41-L157 HydrophobicContact CB-CD1 4.07Å; Y48-L157 HydrophobicContact CD1-CD1 4.33Å; Y48-L157 HydrophobicContact CE1-CD1 4.02Å; F58-L157 HydrophobicContact CE1-CB 3.63Å; F58-L157 HydrophobicContact CE1-CD1 4.12Å; F58-L157 HydrophobicContact CZ-CB 3.73Å; I153-L157 HydrophobicContact CG2-CD1 3.68Å; I153-L157 HydrophobicContact CG2-CG 4.25Å; I153-L157 WeakPolarHBondContact O-CB 3.5Å; I153-L157 VanDerWaalsContact O-CG 3.3Å; I153-L157 WeakPolarHBondContact O-CG 3.2Å; I153-L157 PolarHBondContact O-N 3.45Å; I155-L157 VanDerWaalsContact C-N 3.33Å; I155-L157 PolarHBondContact O-N 2.86Å; L157-T159 VanDerWaalsContact C-N 3.27Å; L157-T159 PolarHBondContact O-N 2.77Å
158Q89.5Confident92.3Very high55 Ų5546.1 Ų46.126%0.25723%0.231SC..  trans-85.863.3-173.8-161.1-17711.800112.7F58 R154 I155 P166 N169F58-Q158 HydrophobicContact CE2-CB 4.15Å; F58-Q158 HydrophobicContact CE2-CG 4.05Å; F58-Q158 HydrophobicContact CZ-CB 4.34Å; R154-Q158 WeakPolarHBondContact O-CB 3.11Å; R154-Q158 PolarHBondContact O-N 2.82Å; I155-Q158 PolarHBondContact O-N 2.95Å; I155-Q158 VanDerWaalsContact O-N 3.12Å; Q158-P166 WeakPolarHBondContact O-CD 3.32Å; Q158-N169 WeakPolarHBondContact CG-ND2 3.32Å; Q158-N169 PolarHBondContact O-ND2 3.43Å
159T89.7Confident92.2Very high56 Ų5646 Ų4634%0.34423%0.23SC..  trans-84.3167.7-177.9540000114L157 G163 K164 I165L157-T159 VanDerWaalsContact C-N 3.27Å; L157-T159 PolarHBondContact O-N 2.77Å; T159-G163 WeakPolarHBondContact CG2-O 3.45Å; T159-K164 CarbonylContact C-O 3.52Å; T159-K164 VanDerWaalsContact CA-O 3.23Å; T159-K164 WeakPolarHBondContact CA-O 3.4Å; T159-I165 HydrophobicContact CG2-CG1 4.2Å
160N89Confident92.1Very high46 Ų4644 Ų4425%0.24622%0.22CC..  trans-88.9-175.7169.978.8-13.1000112D162 G163 K164 P166N160-D162 PolarHBondContact ND2-OD2 3.26Å; N160-D162 PolarHBondContact O-N 3.37Å; N160-D162 WeakPolarHBondContact OD1-CA 3.29Å; N160-D162 WeakPolarHBondContact OD1-CB 3.26Å; N160-D162 PolarHBondContact OD1-N 2.64Å; N160-G163 PolarHBondContact O-N 3.3Å; N160-G163 PolarHBondContact OD1-N 3.49Å; N160-K164 PolarHBondContact N-O 3.22Å; N160-K164 PolarHBondContact OD1-N 2.85Å; N160-K164 PolarHBondContact OD1-O 3.19Å; N160-P166 HydrophobicContact CB-CG 4.18Å
161K85.8Confident92Very high139 Ų13944.7 Ų44.760%0.60422%0.223SC*.THydrogen-bonded Turntrans-58.5-19.1178.5-67.3-174.3174.6-178.40114.6K54K54-K161 HydrophobicContact CB-CG 4.45Å; K54-K161 HydrophobicContact CD-CB 4.46Å; K54-K161 VanDerWaalsContact CD-O 3.31Å; K54-K161 WeakPolarHBondContact CD-O 3.27Å; K54-K161 PolarHBondContact NZ-O 2.89Å
162D85.3Confident91.9Very high115 Ų11551.2 Ų51.262%0.61525%0.251SS*.THydrogen-bonded Turntrans-100.23.5-178-33.2-47.1000112.2N160N160-D162 PolarHBondContact ND2-OD2 3.26Å; N160-D162 PolarHBondContact O-N 3.37Å; N160-D162 WeakPolarHBondContact OD1-CA 3.29Å; N160-D162 WeakPolarHBondContact OD1-CB 3.26Å; N160-D162 PolarHBondContact OD1-N 2.64Å
163G87.4Confident91.8Very high33 Ų3350.1 Ų50.134%0.3425%0.248SC..SBendtrans78.312-179.100000115.2T159 N160 P200T159-G163 WeakPolarHBondContact CG2-O 3.45Å; N160-G163 PolarHBondContact O-N 3.3Å; N160-G163 PolarHBondContact OD1-N 3.49Å; G163-P200 VanDerWaalsContact O-CG 3.28Å; G163-P200 WeakPolarHBondContact O-CG 3.29Å
164K92.7Very high91.7Very high82 Ų8249.4 Ų49.436%0.35724%0.244SC..PPolyproline II helixtrans-100.1149.5179.4-54.6177.9-174.1170.40111.9T159 N160 P166 T197T159-K164 CarbonylContact C-O 3.52Å; T159-K164 VanDerWaalsContact CA-O 3.23Å; T159-K164 WeakPolarHBondContact CA-O 3.4Å; N160-K164 PolarHBondContact N-O 3.22Å; N160-K164 PolarHBondContact OD1-N 2.85Å; N160-K164 PolarHBondContact OD1-O 3.19Å; K164-P166 WeakPolarHBondContact O-CD 3.35Å; K164-T197 HydrophobicContact CB-CG2 4.36Å; K164-T197 WeakPolarHBondContact CD-OG1 3.33Å
165I94.1Very high91.6Very high0 Ų047.1 Ų47.10%024%0.242CC..EExtended strand (participates in β ladder)trans-81.9117-179.7-57.7165.4000109.3I155 T159 T197 I198 F203I155-I165 HydrophobicContact CG2-CG2 3.71Å; T159-I165 HydrophobicContact CG2-CG1 4.2Å; I165-T197 CarbonylContact O-C 3.58Å; I165-T197 WeakPolarHBondContact O-CA 3.44Å; I165-I198 HydrophobicContact CB-CB 4.36Å; I165-I198 PolarHBondContact N-O 3.26Å; I165-I198 PolarHBondContact O-N 3.09Å; I165-F203 HydrophobicContact CD1-CB 3.69Å; I165-F203 HydrophobicContact CD1-CD1 3.77Å; I165-F203 HydrophobicContact CD1-CG 3.89Å
166P94.6Very high91.4Very high25 Ų2547.9 Ų47.916%0.16225%0.249CC..EExtended strand (participates in β ladder)trans-75.6127.6177.4-14.730.9000111.6Q158 N160 K164 K168 N169Q158-P166 WeakPolarHBondContact O-CD 3.32Å; N160-P166 HydrophobicContact CB-CG 4.18Å; K164-P166 WeakPolarHBondContact O-CD 3.35Å; P166-K168 PolarHBondContact O-N 3.05Å; P166-K168 VanDerWaalsContact O-N 3.14Å; P166-N169 WeakPolarHBondContact O-CB 3.45Å; P166-N169 PolarHBondContact O-N 3.47Å
167V94.7Very high91.4Very high0 Ų049.2 Ų49.20%025%0.253CS..Hα-helixtrans-61.3-28.2179.2-174.70000111.6N169 I170 Y171 L185 P191 D196 I198V167-N169 PolarHBondContact O-N 2.95Å; V167-I170 WeakPolarHBondContact O-CB 3.4Å; V167-I170 PolarHBondContact O-N 2.77Å; V167-Y171 HydrophobicContact CG1-CD2 4.12Å; V167-Y171 HydrophobicContact CG1-CE2 3.53Å; V167-Y171 WeakPolarHBondContact O-CD2 3.31Å; V167-Y171 PolarHBondContact O-N 2.81Å; V167-L185 HydrophobicContact CG1-CD1 3.6Å; V167-P191 HydrophobicContact CG2-CB 4.21Å; V167-P191 WeakPolarHBondContact CG2-O 3.46Å; V167-D196 HydrophobicContact CG2-CB 3.82Å; V167-D196 WeakPolarHBondContact CG2-O 3.46Å; V167-D196 PolarHBondContact N-O 3.4Å; V167-I198 HydrophobicContact CG2-CD1 4.1Å; V167-I198 HydrophobicContact CG2-CG1 3.73Å
168K94.2Very high91.4Very high100 Ų10052.8 Ų52.844%0.43527%0.267SS..Hα-helixtrans-48.3-30.4168.1-168.6175.1178.7-179.20114.3P166 K172 K194P166-K168 PolarHBondContact O-N 3.05Å; P166-K168 VanDerWaalsContact O-N 3.14Å; K168-K172 WeakPolarHBondContact O-CG 3.35Å; K168-K172 PolarHBondContact O-N 3.29Å; K168-K194 WeakPolarHBondContact CB-O 3.28Å
169N92.4Very high91.6Very high19 Ų1958.2 Ų58.210%0.10229%0.289CS..Hα-helixtrans-79.7-30.3178.9-66.5-17.9000112Q158 P166 V167 K172 M173Q158-N169 WeakPolarHBondContact CG-ND2 3.32Å; Q158-N169 PolarHBondContact O-ND2 3.43Å; P166-N169 WeakPolarHBondContact O-CB 3.45Å; P166-N169 PolarHBondContact O-N 3.47Å; V167-N169 PolarHBondContact O-N 2.95Å; N169-K172 WeakPolarHBondContact O-CB 3.22Å; N169-K172 PolarHBondContact O-N 2.85Å; N169-M173 PolarHBondContact O-N 2.77Å
170I93.8Very high91.8Very high1 Ų158.1 Ų58.11%0.00528%0.283CS..Hα-helixtrans-66.3-44.7172.8-53-179.8000109.7I155 V167 K172 M173 F174 V181 L185 I198 F203 F211I155-I170 HydrophobicContact CG2-CD1 4.45Å; I155-I170 HydrophobicContact CG2-CG1 4.07Å; V167-I170 WeakPolarHBondContact O-CB 3.4Å; V167-I170 PolarHBondContact O-N 2.77Å; I170-K172 PolarHBondContact O-N 3.11Å; I170-M173 WeakPolarHBondContact O-CB 3.36Å; I170-M173 PolarHBondContact O-N 3.33Å; I170-F174 HydrophobicContact CG2-CD2 4.07Å; I170-F174 HydrophobicContact CG2-CE2 4.47Å; I170-F174 PolarHBondContact O-N 3.04Å; I170-V181 HydrophobicContact CG2-CG1 4.04Å; I170-L185 HydrophobicContact CD1-CD2 3.94Å; I170-I198 HydrophobicContact CD1-CD1 3.83Å; I170-F203 HydrophobicContact CD1-CE2 4.21Å; I170-F211 HydrophobicContact CG2-CE1 4.28Å; I170-F211 HydrophobicContact CG2-CE2 4.34Å; I170-F211 HydrophobicContact CG2-CZ 3.72Å
171Y93.8Very high92.1Very high22 Ų2255.9 Ų55.99%0.08627%0.271CS..Hα-helixtrans-63.4-19.5172.6-66.2-57.7000114.7V167 K178 V181 E182 K192V167-Y171 HydrophobicContact CG1-CD2 4.12Å; V167-Y171 HydrophobicContact CG1-CE2 3.53Å; V167-Y171 WeakPolarHBondContact O-CD2 3.31Å; V167-Y171 PolarHBondContact O-N 2.81Å; Y171-K178 HydrophobicContact CD1-CB 4.33Å; Y171-K178 HydrophobicContact CD1-CG 4.31Å; Y171-V181 HydrophobicContact CD1-CB 4Å; Y171-V181 HydrophobicContact CD1-CG1 3.61Å; Y171-V181 HydrophobicContact CE1-CB 3.75Å; Y171-V181 HydrophobicContact CE1-CG1 3.39Å; Y171-E182 HydrophobicContact CE1-CG 3.86Å; Y171-E182 WeakPolarHBondContact OH-CG 3.39Å; Y171-K192 PolarHBondContact OH-O 2.75Å
172K92.4Very high92.6Very high138 Ų13853.4 Ų53.460%0.626%0.262SS*.Hα-helixtrans-83.9-30.3170.7-77176.6170.7-172.60112.7K168 N169 I170K168-K172 WeakPolarHBondContact O-CG 3.35Å; K168-K172 PolarHBondContact O-N 3.29Å; N169-K172 WeakPolarHBondContact O-CB 3.22Å; N169-K172 PolarHBondContact O-N 2.85Å; I170-K172 PolarHBondContact O-N 3.11Å
173M92Very high93.1Very high26 Ų2651.4 Ų51.413%0.12826%0.257CS..Hα-helixtrans-74.8-34.8177-167.264.569.900111.8I151 R154 I155 N169 I170 P175 L804I151-M173 HydrophobicContact CG2-CE 4.48Å; I151-M173 HydrophobicContact CG2-CG 3.82Å; I151-M173 HydrophobicContact CG2-SD 4.22Å; R154-M173 HydrophobicContact CB-CE 4.39Å; R154-M173 HydrophobicContact CG-CE 3.92Å; I155-M173 HydrophobicContact CD1-CG 4.42Å; I155-M173 HydrophobicContact CG1-CE 4.3Å; N169-M173 PolarHBondContact O-N 2.77Å; I170-M173 WeakPolarHBondContact O-CB 3.36Å; I170-M173 PolarHBondContact O-N 3.33Å; M173-P175 WeakPolarHBondContact O-CD 3.32Å; M173-L804 WeakPolarHBondContact O-CD1 3.36Å; M173-L804 HydrophobicContact SD-CD1 4.36Å
174F93.6Very high93.5Very high7 Ų750 Ų503%0.03124%0.241CC..SBendtrans-122.165.3-179.2-56.4-78.2000111.2I151 I155 I170 A176 V181 F211 L212 L215 F705 L804I151-F174 HydrophobicContact CG2-CE2 4.4Å; I151-F174 HydrophobicContact CG2-CZ 4Å; I155-F174 HydrophobicContact CD1-CE2 4.28Å; I170-F174 HydrophobicContact CG2-CD2 4.07Å; I170-F174 HydrophobicContact CG2-CE2 4.47Å; I170-F174 PolarHBondContact O-N 3.04Å; F174-A176 VanDerWaalsContact C-N 3.33Å; F174-A176 PolarHBondContact O-N 3.01Å; F174-V181 HydrophobicContact CB-CG2 3.66Å; F174-F211 HydrophobicContact CD2-CE1 4.08Å; F174-F211 HydrophobicContact CD2-CZ 4.04Å; F174-F211 AromaticContact CE2-CE1 3.7Å; F174-F211 HydrophobicContact CE2-CE1 3.7Å; F174-F211 HydrophobicContact CE2-CZ 4.14Å; F174-F211 HydrophobicContact CZ-CE1 4.24Å; F174-L212 HydrophobicContact CE1-CD2 4.23Å; F174-L212 HydrophobicContact CZ-CD2 3.91Å; F174-L215 HydrophobicContact CB-CD2 4.21Å; F174-L215 HydrophobicContact CD1-CD2 3.69Å; F174-L215 HydrophobicContact CD2-CD2 4.21Å; F174-L215 HydrophobicContact CE1-CD2 4.04Å; F174-L215 HydrophobicContact CG-CD2 3.77Å; F174-L215 HydrophobicContact CZ-CD2 4.46Å; F174-F705 AromaticContact CD1-CD1 3.83Å; F174-F705 HydrophobicContact CD1-CD1 3.83Å; F174-F705 AromaticContact CD1-CE1 3.57Å; F174-F705 HydrophobicContact CD1-CE1 3.57Å; F174-F705 HydrophobicContact CD1-CZ 4.26Å; F174-F705 HydrophobicContact CE1-CD1 4.04Å; F174-F705 AromaticContact CE1-CE1 3.66Å; F174-F705 HydrophobicContact CE1-CE1 3.66Å; F174-F705 HydrophobicContact CE1-CE2 4.45Å; F174-F705 AromaticContact CE1-CZ 3.89Å; F174-F705 HydrophobicContact CE1-CZ 3.89Å; F174-L804 HydrophobicContact CD1-CD2 4.23Å; F174-L804 HydrophobicContact CE1-CD2 3.61Å; F174-L804 HydrophobicContact CZ-CD2 4.37Å
175P92.1Very high93.7Very high45 Ų4546 Ų4629%0.29222%0.224SC..  trans-74.9-16.7-170.529.5-35.6000115M173 D177 E708M173-P175 WeakPolarHBondContact O-CD 3.32Å; P175-D177 PolarHBondContact O-N 2.89Å; P175-E708 HydrophobicContact CG-CB 3.81Å; P175-E708 HydrophobicContact CG-CG 4.23Å; P175-E708 WeakPolarHBondContact CG-O 3.42Å
176A88.9Confident93.7Very high19 Ų1947.9 Ų47.916%0.15724%0.24CC..SBendtrans-65.2-38.3-167.800000114.5F174 E708 S710 I741F174-A176 VanDerWaalsContact C-N 3.33Å; F174-A176 PolarHBondContact O-N 3.01Å; A176-E708 WeakPolarHBondContact CA-O 3.12Å; A176-E708 PolarHBondContact N-O 3.26Å; A176-S710 PolarHBondContact O-OG 3.32Å; A176-I741 HydrophobicContact CB-CD1 4.22Å; A176-I741 HydrophobicContact CB-CG1 3.98Å
177D91.8Very high93.7Very high57 Ų5749.1 Ų49.131%0.30525%0.249SC..  trans-144.2109.2172.3-176.9-14.3000110.3P175 K179 R180 V181 I741P175-D177 PolarHBondContact O-N 2.89Å; D177-K179 PolarHBondContact OD1-N 2.91Å; D177-R180 HydrophobicContact CB-CB 3.98Å; D177-R180 VanDerWaalsContact CG-CB 3.44Å; D177-R180 PolarHBondContact OD1-N 2.95Å; D177-R180 WeakPolarHBondContact OD2-CB 3.48Å; D177-V181 WeakPolarHBondContact O-CG2 3.46Å; D177-V181 PolarHBondContact O-N 3.36Å; D177-I741 HydrophobicContact CB-CD1 3.68Å
178K92.1Very high93.7Very high124 Ų12449.6 Ų49.654%0.53925%0.253SS..Hα-helixtrans-76.9-34.6-178.2-65.4165.1-171.7159.20112.7Y171 R180 V181 E182Y171-K178 HydrophobicContact CD1-CB 4.33Å; Y171-K178 HydrophobicContact CD1-CG 4.31Å; K178-R180 VanDerWaalsContact C-N 3.28Å; K178-R180 PolarHBondContact O-N 2.86Å; K178-V181 PolarHBondContact O-N 2.89Å; K178-E182 WeakPolarHBondContact O-CG 3.42Å; K178-E182 PolarHBondContact O-N 3.04Å
179K93.3Very high93.7Very high168 Ų16853.2 Ų53.273%0.7327%0.271SS*.Hα-helixtrans-65.6-37.1179.1-68.5-174.6175.7-175.40110.6D177 E182 S183D177-K179 PolarHBondContact OD1-N 2.91Å; K179-E182 WeakPolarHBondContact O-CB 3.35Å; K179-E182 PolarHBondContact O-N 3Å; K179-S183 WeakPolarHBondContact O-CB 3.05Å; K179-S183 PolarHBondContact O-N 3.44Å
180R94.2Very high93.8Very high54 Ų5452.8 Ų52.820%0.20427%0.268CS..Hα-helixtrans-69.6-35.8175.7-163.4175.9178.9173.3-3112.7D177 K178 A184 L215 P217 N742D177-R180 HydrophobicContact CB-CB 3.98Å; D177-R180 VanDerWaalsContact CG-CB 3.44Å; D177-R180 PolarHBondContact OD1-N 2.95Å; D177-R180 WeakPolarHBondContact OD2-CB 3.48Å; K178-R180 VanDerWaalsContact C-N 3.28Å; K178-R180 PolarHBondContact O-N 2.86Å; R180-A184 VanDerWaalsContact O-CB 3.32Å; R180-A184 WeakPolarHBondContact O-CB 3.39Å; R180-A184 PolarHBondContact O-N 2.85Å; R180-L215 HydrophobicContact CB-CD1 4.35Å; R180-L215 HydrophobicContact CG-CD1 4Å; R180-L215 PolarHBondContact NE-O 2.81Å; R180-L215 PolarHBondContact NH2-O 3.32Å; R180-L215 VanDerWaalsContact NH2-O 3.09Å; R180-P217 VanDerWaalsContact NH2-CD 3.31Å; R180-N742 VanDerWaalsContact CZ-OD1 3.3Å; R180-N742 PolarHBondContact NH1-OD1 3.09Å; R180-N742 PolarHBondContact NH2-ND2 3.31Å; R180-N742 VanDerWaalsContact NH2-ND2 3.13Å; R180-N742 PolarHBondContact NH2-OD1 2.73Å
181V95.3Very high93.8Very high0 Ų054.9 Ų54.90%028%0.282CS..Hα-helixtrans-68.1-42.3170.8175.20000111.3I170 Y171 F174 D177 K178 S183 A184 L185 F211 L215I170-V181 HydrophobicContact CG2-CG1 4.04Å; Y171-V181 HydrophobicContact CD1-CB 4Å; Y171-V181 HydrophobicContact CD1-CG1 3.61Å; Y171-V181 HydrophobicContact CE1-CB 3.75Å; Y171-V181 HydrophobicContact CE1-CG1 3.39Å; F174-V181 HydrophobicContact CB-CG2 3.66Å; D177-V181 WeakPolarHBondContact O-CG2 3.46Å; D177-V181 PolarHBondContact O-N 3.36Å; K178-V181 PolarHBondContact O-N 2.89Å; V181-S183 VanDerWaalsContact C-N 3.29Å; V181-S183 PolarHBondContact O-N 2.62Å; V181-A184 PolarHBondContact O-N 3.46Å; V181-L185 HydrophobicContact CG1-CD1 4.02Å; V181-L185 HydrophobicContact CG1-CG 4.37Å; V181-L185 WeakPolarHBondContact O-CB 3.47Å; V181-L185 VanDerWaalsContact O-CG 3.3Å; V181-L185 WeakPolarHBondContact O-CG 3.27Å; V181-L185 PolarHBondContact O-N 2.74Å; V181-F211 HydrophobicContact CG1-CE2 4.07Å; V181-F211 HydrophobicContact CG1-CZ 4.15Å; V181-L215 HydrophobicContact CG2-CD1 3.7Å; V181-L215 HydrophobicContact CG2-CD2 4.24Å
182E95.6Very high93.7Very high87 Ų8759.3 Ų59.341%0.40730%0.302SS..Hα-helixtrans-57-42173.7-76162.4-168.400111.8Y171 K178 K179 A186Y171-E182 HydrophobicContact CE1-CG 3.86Å; Y171-E182 WeakPolarHBondContact OH-CG 3.39Å; K178-E182 WeakPolarHBondContact O-CG 3.42Å; K178-E182 PolarHBondContact O-N 3.04Å; K179-E182 WeakPolarHBondContact O-CB 3.35Å; K179-E182 PolarHBondContact O-N 3Å; E182-A186 PolarHBondContact O-N 2.93Å
183S96.1Very high93.7Very high73 Ų7354 Ų5451%0.5129%0.286SS..Hα-helixtrans-68.1-49.6175.7-168.20000112.1K179 V181 L185 A186 S187K179-S183 WeakPolarHBondContact O-CB 3.05Å; K179-S183 PolarHBondContact O-N 3.44Å; V181-S183 VanDerWaalsContact C-N 3.29Å; V181-S183 PolarHBondContact O-N 2.62Å; S183-L185 VanDerWaalsContact C-N 3.31Å; S183-L185 PolarHBondContact O-N 3.02Å; S183-A186 WeakPolarHBondContact O-CA 3.38Å; S183-A186 WeakPolarHBondContact O-CB 3.48Å; S183-A186 PolarHBondContact O-N 2.95Å; S183-S187 PolarHBondContact O-N 3.07Å; S183-S187 PolarHBondContact O-OG 2.79Å
184A96.2Very high93.5Very high2 Ų258.4 Ų58.42%0.01731%0.305CS..Hα-helixtrans-63.5-33.8-179.600000113.4R180 V181 A188 F211 N214 L215R180-A184 VanDerWaalsContact O-CB 3.32Å; R180-A184 WeakPolarHBondContact O-CB 3.39Å; R180-A184 PolarHBondContact O-N 2.85Å; V181-A184 PolarHBondContact O-N 3.46Å; A184-A188 WeakPolarHBondContact O-CB 3.34Å; A184-A188 PolarHBondContact O-N 3.32Å; A184-A188 VanDerWaalsContact O-N 3.14Å; A184-F211 HydrophobicContact CB-CD2 3.74Å; A184-F211 HydrophobicContact CB-CE2 3.84Å; A184-N214 HydrophobicContact CB-CB 3.93Å; A184-L215 HydrophobicContact CB-CB 3.82Å
185L96.2Very high93.4Very high0 Ų066.2 Ų66.20%034%0.335CS..Hα-helixtrans-64.5-42.4171-73.1169.7000111.2V167 I170 V181 S183 A188 H189 L190 K192 F211V167-L185 HydrophobicContact CG1-CD1 3.6Å; I170-L185 HydrophobicContact CD1-CD2 3.94Å; V181-L185 HydrophobicContact CG1-CD1 4.02Å; V181-L185 HydrophobicContact CG1-CG 4.37Å; V181-L185 WeakPolarHBondContact O-CB 3.47Å; V181-L185 VanDerWaalsContact O-CG 3.3Å; V181-L185 WeakPolarHBondContact O-CG 3.27Å; V181-L185 PolarHBondContact O-N 2.74Å; S183-L185 VanDerWaalsContact C-N 3.31Å; S183-L185 PolarHBondContact O-N 3.02Å; L185-A188 CarbonylContact O-C 3.41Å; L185-A188 PolarHBondContact O-N 2.93Å; L185-H189 PolarHBondContact O-N 3.36Å; L185-L190 HydrophobicContact CB-CB 4.37Å; L185-L190 HydrophobicContact CD2-CB 3.9Å; L185-L190 HydrophobicContact CD2-CD1 3.84Å; L185-L190 PolarHBondContact O-N 3.03Å; L185-K192 HydrophobicContact CB-CB 4.06Å; L185-K192 HydrophobicContact CD1-CB 4.41Å; L185-F211 HydrophobicContact CD2-CD2 3.81Å; L185-F211 HydrophobicContact CD2-CE2 3.85Å; L185-F211 HydrophobicContact CG-CD2 4.04Å; L185-F211 HydrophobicContact CG-CE2 3.8Å
186A95.1Very high93.5Very high39 Ų3967.3 Ų67.332%0.32234%0.338SS..Hα-helixtrans-62.6-43.9176.500000112.4E182 S183 A188 H189 K192E182-A186 PolarHBondContact O-N 2.93Å; S183-A186 WeakPolarHBondContact O-CA 3.38Å; S183-A186 WeakPolarHBondContact O-CB 3.48Å; S183-A186 PolarHBondContact O-N 2.95Å; A186-A188 VanDerWaalsContact C-N 3.25Å; A186-A188 PolarHBondContact O-N 2.75Å; A186-H189 PolarHBondContact O-N 2.76Å; A186-K192 HydrophobicContact CB-CD 4.06Å
187S94.5Very high93.8Very high50 Ų5068.8 Ų68.835%0.3535%0.346SS..Hα-helixtrans-63.7-28175.3-60.90000113.6S183 H189 N214S183-S187 PolarHBondContact O-N 3.07Å; S183-S187 PolarHBondContact O-OG 2.79Å; S187-H189 VanDerWaalsContact C-N 3.28Å; S187-N214 WeakPolarHBondContact CB-OD1 3.5Å; S187-N214 PolarHBondContact OG-OD1 3.15Å
188A93.8Very high93.9Very high11 Ų1166.1 Ų66.19%0.09133%0.332CS..THydrogen-bonded Turntrans-877.317400000113.3A184 L185 A186 L190 T210 F211A184-A188 WeakPolarHBondContact O-CB 3.34Å; A184-A188 PolarHBondContact O-N 3.32Å; A184-A188 VanDerWaalsContact O-N 3.14Å; L185-A188 CarbonylContact O-C 3.41Å; L185-A188 PolarHBondContact O-N 2.93Å; A186-A188 VanDerWaalsContact C-N 3.25Å; A186-A188 PolarHBondContact O-N 2.75Å; A188-L190 HydrophobicContact CB-CD1 4.02Å; A188-L190 HydrophobicContact CB-CG 4Å; A188-L190 PolarHBondContact O-N 3.03Å; A188-T210 HydrophobicContact CB-CG2 4.37Å; A188-F211 HydrophobicContact CB-CB 3.94Å
189H93.8Very high94Very high175 Ų17565.9 Ų65.981%0.8133%0.33SS*.THydrogen-bonded Turntrans55.928.4-173.9-53.9-58.9000114.5L185 A186 S187L185-H189 PolarHBondContact O-N 3.36Å; A186-H189 PolarHBondContact O-N 2.76Å; S187-H189 VanDerWaalsContact C-N 3.28Å
190L94.7Very high93.8Very high10 Ų1060.9 Ų60.95%0.05232%0.315CS..  trans-96.2149.8179.7-63.6177.9000112.1L185 A188 K192 I198 V202 F203 A207L185-L190 HydrophobicContact CB-CB 4.37Å; L185-L190 HydrophobicContact CD2-CB 3.9Å; L185-L190 HydrophobicContact CD2-CD1 3.84Å; L185-L190 PolarHBondContact O-N 3.03Å; A188-L190 HydrophobicContact CB-CD1 4.02Å; A188-L190 HydrophobicContact CB-CG 4Å; A188-L190 PolarHBondContact O-N 3.03Å; L190-K192 PolarHBondContact O-N 2.83Å; L190-I198 HydrophobicContact CB-CD1 4.26Å; L190-I198 HydrophobicContact CD1-CD1 4.38Å; L190-I198 HydrophobicContact CD2-CD1 4.44Å; L190-I198 HydrophobicContact CD2-CG2 4.12Å; L190-V202 HydrophobicContact CD2-CG1 4.04Å; L190-F203 HydrophobicContact CD1-CD2 3.8Å; L190-F203 HydrophobicContact CD1-CE2 3.9Å; L190-F203 HydrophobicContact CD2-CD2 4.41Å; L190-A207 HydrophobicContact CD2-CB 4.49Å
191P94.1Very high93.7Very high45 Ų4563.4 Ų63.429%0.29233%0.332SS..  trans-54.2136.4169.2-24.433000111.9V167 D196 I198V167-P191 HydrophobicContact CG2-CB 4.21Å; V167-P191 WeakPolarHBondContact CG2-O 3.46Å; P191-D196 HydrophobicContact CB-CB 3.74Å; P191-I198 HydrophobicContact CB-CG1 4.4Å; P191-I198 HydrophobicContact CG-CG1 4.17Å
192K92.9Very high93.6Very high115 Ų11566.6 Ų66.650%0.535%0.352SS..  trans-121.5-15.7-171.670-174-178.7-178.30114.5Y171 L185 A186 L190 D196Y171-K192 PolarHBondContact OH-O 2.75Å; L185-K192 HydrophobicContact CB-CB 4.06Å; L185-K192 HydrophobicContact CD1-CB 4.41Å; A186-K192 HydrophobicContact CB-CD 4.06Å; L190-K192 PolarHBondContact O-N 2.83Å; K192-D196 PolarHBondContact N-OD2 2.75Å
193G91.6Very high93.5Very high26 Ų2662.5 Ų62.527%0.26833%0.333SS..SBendtrans-63.3142.1177.300000111.5Y195 D196G193-Y195 PolarHBondContact O-N 2.91Å; G193-D196 VanDerWaalsContact CA-OD1 3.25Å; G193-D196 WeakPolarHBondContact CA-OD1 3.09Å; G193-D196 VanDerWaalsContact CA-OD2 3.29Å; G193-D196 WeakPolarHBondContact CA-OD2 3.44Å; G193-D196 VanDerWaalsContact N-CG 3.29Å; G193-D196 PolarHBondContact N-OD2 2.84Å; G193-D196 WeakPolarHBondContact O-CB 3.39Å; G193-D196 PolarHBondContact O-N 3.14Å
194K88.3Confident93.4Very high120 Ų12062 Ų6252%0.52233%0.326SS..THydrogen-bonded Turntrans-55.9-25.8-173.1-177.1-174.3175.5-162.40114.4K168K168-K194 WeakPolarHBondContact CB-O 3.28Å
195Y91.7Very high93.1Very high170 Ų17065.7 Ų65.767%0.66734%0.343SS*.THydrogen-bonded Turntrans-113.54.4-179-54.5-61.7000113.1G193G193-Y195 PolarHBondContact O-N 2.91Å
196D93.9Very high92.9Very high68 Ų6868.6 Ų68.636%0.36437%0.368SS..  trans-65.5161.4177.1-59.48.3000110.5V167 P191 K192 G193V167-D196 HydrophobicContact CG2-CB 3.82Å; V167-D196 WeakPolarHBondContact CG2-O 3.46Å; V167-D196 PolarHBondContact N-O 3.4Å; P191-D196 HydrophobicContact CB-CB 3.74Å; K192-D196 PolarHBondContact N-OD2 2.75Å; G193-D196 VanDerWaalsContact CA-OD1 3.25Å; G193-D196 WeakPolarHBondContact CA-OD1 3.09Å; G193-D196 VanDerWaalsContact CA-OD2 3.29Å; G193-D196 WeakPolarHBondContact CA-OD2 3.44Å; G193-D196 VanDerWaalsContact N-CG 3.29Å; G193-D196 PolarHBondContact N-OD2 2.84Å; G193-D196 WeakPolarHBondContact O-CB 3.39Å; G193-D196 PolarHBondContact O-N 3.14Å
197T94.6Very high92.8Very high50 Ų5067.5 Ų67.531%0.30736%0.359SS..EExtended strand (participates in β ladder)trans-130.1131.8175.257.50000110.6K164 I165K164-T197 HydrophobicContact CB-CG2 4.36Å; K164-T197 WeakPolarHBondContact CD-OG1 3.33Å; I165-T197 CarbonylContact O-C 3.58Å; I165-T197 WeakPolarHBondContact O-CA 3.44Å
198I94.5Very high92.8Very high2 Ų265.4 Ų65.41%0.0134%0.343CS..EExtended strand (participates in β ladder)trans-94.2137175.6-37.8-175.9000107.7I165 V167 I170 L190 P191 V202 F203I165-I198 HydrophobicContact CB-CB 4.36Å; I165-I198 PolarHBondContact N-O 3.26Å; I165-I198 PolarHBondContact O-N 3.09Å; V167-I198 HydrophobicContact CG2-CD1 4.1Å; V167-I198 HydrophobicContact CG2-CG1 3.73Å; I170-I198 HydrophobicContact CD1-CD1 3.83Å; L190-I198 HydrophobicContact CB-CD1 4.26Å; L190-I198 HydrophobicContact CD1-CD1 4.38Å; L190-I198 HydrophobicContact CD2-CD1 4.44Å; L190-I198 HydrophobicContact CD2-CG2 4.12Å; P191-I198 HydrophobicContact CB-CG1 4.4Å; P191-I198 HydrophobicContact CG-CG1 4.17Å; I198-V202 HydrophobicContact CG2-CB 4.2Å; I198-V202 HydrophobicContact CG2-CG1 4.32Å; I198-F203 HydrophobicContact CD1-CD2 4.1Å; I198-F203 HydrophobicContact CG2-CB 4.1Å
199K92.9Very high92.7Very high119 Ų11968 Ų6852%0.51735%0.352SS..  trans-75.6145169.8-47.5179.8-177.3173.80110.2D201 V202 F203K199-D201 VanDerWaalsContact C-N 3.27Å; K199-D201 WeakPolarHBondContact CB-OD1 3.07Å; K199-D201 WeakPolarHBondContact CD-OD1 3.43Å; K199-D201 PolarHBondContact O-N 2.83Å; K199-V202 HydrophobicContact CB-CG2 4.32Å; K199-V202 PolarHBondContact O-N 2.88Å; K199-V202 VanDerWaalsContact O-N 3.09Å; K199-F203 PolarHBondContact O-N 3.06Å
200P90.8Very high92.6Very high62 Ų6262.2 Ų62.240%0.40333%0.33SS..THydrogen-bonded Turntrans-61.1-29.5-178.4-24.835.4000115.1G163 V202 F203G163-P200 VanDerWaalsContact O-CG 3.28Å; G163-P200 WeakPolarHBondContact O-CG 3.29Å; P200-V202 VanDerWaalsContact C-N 3.3Å; P200-V202 PolarHBondContact O-N 2.74Å; P200-F203 PolarHBondContact O-N 3.44Å
201D90.9Very high92.7Very high107 Ų10761.8 Ų61.857%0.57233%0.327SS*.THydrogen-bonded Turntrans-65.3-28.7174.851-56.8000113.5K199 T204K199-D201 VanDerWaalsContact C-N 3.27Å; K199-D201 WeakPolarHBondContact CB-OD1 3.07Å; K199-D201 WeakPolarHBondContact CD-OD1 3.43Å; K199-D201 PolarHBondContact O-N 2.83Å; D201-T204 WeakPolarHBondContact O-CG2 3.49Å
202V92.9Very high92.7Very high67 Ų6760.5 Ų60.541%0.40632%0.318SS..THydrogen-bonded Turntrans-84.8-33.4177.9-178.80000111.1L190 I198 K199 P200 T204L190-V202 HydrophobicContact CD2-CG1 4.04Å; I198-V202 HydrophobicContact CG2-CB 4.2Å; I198-V202 HydrophobicContact CG2-CG1 4.32Å; K199-V202 HydrophobicContact CB-CG2 4.32Å; K199-V202 PolarHBondContact O-N 2.88Å; K199-V202 VanDerWaalsContact O-N 3.09Å; P200-V202 VanDerWaalsContact C-N 3.3Å; P200-V202 PolarHBondContact O-N 2.74Å; V202-T204 PolarHBondContact O-N 2.98Å
203F94.1Very high92.6Very high1 Ų157 Ų570%0.00431%0.306CS..SBendtrans-82.666.6179.8-165.5-105000111.5Y152 I155 S156 I165 I170 L190 I198 K199 P200 F208Y152-F203 HydrophobicContact CD2-CD1 4.16Å; Y152-F203 AromaticContact CD2-CE1 3.74Å; Y152-F203 HydrophobicContact CD2-CE1 3.74Å; Y152-F203 AromaticContact CE2-CD1 3.94Å; Y152-F203 HydrophobicContact CE2-CD1 3.94Å; Y152-F203 HydrophobicContact CE2-CE1 4.01Å; Y152-F203 WeakPolarHBondContact CE2-O 3.5Å; Y152-F203 PolarHBondContact OH-O 3.14Å; I155-F203 HydrophobicContact CB-CE1 3.99Å; I155-F203 HydrophobicContact CB-CZ 4.25Å; I155-F203 HydrophobicContact CD1-CZ 4.38Å; I155-F203 HydrophobicContact CG2-CD1 4.31Å; I155-F203 HydrophobicContact CG2-CE1 3.53Å; I155-F203 HydrophobicContact CG2-CE2 4.47Å; I155-F203 HydrophobicContact CG2-CZ 3.62Å; S156-F203 WeakPolarHBondContact OG-CD1 3.44Å; I165-F203 HydrophobicContact CD1-CB 3.69Å; I165-F203 HydrophobicContact CD1-CD1 3.77Å; I165-F203 HydrophobicContact CD1-CG 3.89Å; I170-F203 HydrophobicContact CD1-CE2 4.21Å; L190-F203 HydrophobicContact CD1-CD2 3.8Å; L190-F203 HydrophobicContact CD1-CE2 3.9Å; L190-F203 HydrophobicContact CD2-CD2 4.41Å; I198-F203 HydrophobicContact CD1-CD2 4.1Å; I198-F203 HydrophobicContact CG2-CB 4.1Å; K199-F203 PolarHBondContact O-N 3.06Å; P200-F203 PolarHBondContact O-N 3.44Å; F203-F208 HydrophobicContact CE1-CD2 4.34Å; F203-F208 HydrophobicContact CE2-CD2 4.4Å; F203-F208 HydrophobicContact CZ-CB 4.39Å; F203-F208 AromaticContact CZ-CD2 3.67Å; F203-F208 HydrophobicContact CZ-CD2 3.67Å; F203-F208 HydrophobicContact CZ-CE2 4.42Å; F203-F208 HydrophobicContact CZ-CG 4.41Å
204T93.9Very high92.8Very high62 Ų6258.9 Ų58.938%0.3831%0.31SS..  trans-77.8163.3178.764.90000112.6D201 V202 A206 A207 F208D201-T204 WeakPolarHBondContact O-CG2 3.49Å; V202-T204 PolarHBondContact O-N 2.98Å; T204-A206 PolarHBondContact O-N 2.94Å; T204-A207 PolarHBondContact O-N 2.84Å; T204-A207 PolarHBondContact OG1-N 2.99Å; T204-A207 VanDerWaalsContact OG1-N 3.17Å; T204-F208 PolarHBondContact O-N 2.84Å
205E90.8Very high93.1Very high80 Ų8053.1 Ų53.137%0.37429%0.285SS..Hα-helixtrans-59.5-33.9173.9-166.5-166.9141.100111.8Y152 F208 K209Y152-E205 HydrophobicContact CE1-CB 4.23Å; Y152-E205 PolarHBondContact OH-N 2.95Å; E205-F208 PolarHBondContact O-N 2.76Å; E205-K209 WeakPolarHBondContact O-CG 3.29Å; E205-K209 PolarHBondContact O-N 3.45Å; E205-K209 WeakPolarHBondContact OE1-CE 3.3Å; E205-K209 IonicContact OE1-NZ 2.8Å; E205-K209 PolarHBondContact OE1-NZ 3.38Å
206A90.2Very high93.2Very high62 Ų6245.5 Ų45.551%0.51226%0.257SS..Hα-helixtrans-64.9-50.8174.500000111.4T204 F208 K209 T210T204-A206 PolarHBondContact O-N 2.94Å; A206-F208 PolarHBondContact O-N 2.74Å; A206-K209 WeakPolarHBondContact O-CB 3.35Å; A206-K209 PolarHBondContact O-N 2.7Å; A206-K209 VanDerWaalsContact O-N 3.08Å; A206-T210 PolarHBondContact O-N 3.03Å; A206-T210 PolarHBondContact O-OG1 3.43Å
207A93.4Very high93.2Very high16 Ų1644.9 Ų44.913%0.13226%0.256CS..Hα-helixtrans-59.8-35.9175.700000112.2L190 T204 F211L190-A207 HydrophobicContact CD2-CB 4.49Å; T204-A207 PolarHBondContact O-N 2.84Å; T204-A207 PolarHBondContact OG1-N 2.99Å; T204-A207 VanDerWaalsContact OG1-N 3.17Å; A207-F211 WeakPolarHBondContact O-CB 3.11Å; A207-F211 PolarHBondContact O-N 3.02Å
208F94.8Very high93.2Very high6 Ų643.1 Ų43.13%0.02624%0.244CC..Hα-helixtrans-67.7-38.2174.1-179.2-108.4000113.1L148 I151 Y152 I155 F203 T204 E205 A206 F211 L212L148-F208 WeakPolarHBondContact O-CE1 3.32Å; I151-F208 HydrophobicContact CB-CZ 4.17Å; I151-F208 HydrophobicContact CG2-CE2 4.34Å; I151-F208 HydrophobicContact CG2-CZ 3.94Å; Y152-F208 HydrophobicContact CD2-CB 3.76Å; Y152-F208 HydrophobicContact CD2-CD1 4.11Å; Y152-F208 HydrophobicContact CD2-CD2 4.43Å; Y152-F208 AromaticContact CD2-CG 3.85Å; Y152-F208 HydrophobicContact CD2-CG 3.85Å; Y152-F208 HydrophobicContact CE2-CB 4.26Å; Y152-F208 HydrophobicContact CG-CD1 4.21Å; Y152-F208 HydrophobicContact CG-CG 4.39Å; I155-F208 HydrophobicContact CD1-CE2 4.15Å; F203-F208 HydrophobicContact CE1-CD2 4.34Å; F203-F208 HydrophobicContact CE2-CD2 4.4Å; F203-F208 HydrophobicContact CZ-CB 4.39Å; F203-F208 AromaticContact CZ-CD2 3.67Å; F203-F208 HydrophobicContact CZ-CD2 3.67Å; F203-F208 HydrophobicContact CZ-CE2 4.42Å; F203-F208 HydrophobicContact CZ-CG 4.41Å; T204-F208 PolarHBondContact O-N 2.84Å; E205-F208 PolarHBondContact O-N 2.76Å; A206-F208 PolarHBondContact O-N 2.74Å; F208-F211 HydrophobicContact CD2-CD1 4.09Å; F208-F211 HydrophobicContact CE2-CD1 4.21Å; F208-F211 HydrophobicContact CE2-CE1 4.48Å; F208-F211 PolarHBondContact O-N 2.77Å; F208-L212 HydrophobicContact CD1-CD1 4.09Å; F208-L212 HydrophobicContact CD1-CG 4.46Å; F208-L212 HydrophobicContact CE1-CD1 3.41Å; F208-L212 VanDerWaalsContact CE1-CD1 3.41Å; F208-L212 HydrophobicContact CE1-CG 4.04Å; F208-L212 HydrophobicContact CE2-CD1 4.32Å; F208-L212 HydrophobicContact CE2-CD2 4.34Å; F208-L212 HydrophobicContact CE2-CG 4.14Å; F208-L212 HydrophobicContact CZ-CD1 3.56Å; F208-L212 HydrophobicContact CZ-CD2 4.18Å; F208-L212 HydrophobicContact CZ-CG 3.88Å; F208-L212 WeakPolarHBondContact O-CG 3.4Å; F208-L212 PolarHBondContact O-N 3.31Å
209K91.8Very high93.1Very high64 Ų6446.5 Ų46.528%0.27827%0.266SS..Hα-helixtrans-62.4-48.7172-76168.2-176.21670111.1E205 A206 F211 L212 T213 F291E205-K209 WeakPolarHBondContact O-CG 3.29Å; E205-K209 PolarHBondContact O-N 3.45Å; E205-K209 WeakPolarHBondContact OE1-CE 3.3Å; E205-K209 IonicContact OE1-NZ 2.8Å; E205-K209 PolarHBondContact OE1-NZ 3.38Å; A206-K209 WeakPolarHBondContact O-CB 3.35Å; A206-K209 PolarHBondContact O-N 2.7Å; A206-K209 VanDerWaalsContact O-N 3.08Å; K209-F211 VanDerWaalsContact C-N 3.31Å; K209-F211 PolarHBondContact O-N 2.98Å; K209-L212 PolarHBondContact O-N 3.32Å; K209-L212 VanDerWaalsContact O-N 3.08Å; K209-T213 PolarHBondContact O-N 3.19Å; K209-T213 PolarHBondContact O-OG1 3.4Å; K209-F291 HydrophobicContact CB-CZ 4.13Å; K209-F291 HydrophobicContact CD-CE1 4.47Å; K209-F291 HydrophobicContact CD-CE2 4.12Å; K209-F291 HydrophobicContact CD-CZ 3.84Å; K209-F291 HydrophobicContact CG-CE1 4.45Å; K209-F291 HydrophobicContact CG-CZ 4.08Å
210T92.8Very high93.1Very high55 Ų5541 Ų4134%0.33724%0.242SC..Hα-helixtrans-58.7-41.3175.6-51.50000112.1A188 A206 T213 N214A188-T210 HydrophobicContact CB-CG2 4.37Å; A206-T210 PolarHBondContact O-N 3.03Å; A206-T210 PolarHBondContact O-OG1 3.43Å; T210-T213 PolarHBondContact O-OG1 2.94Å; T210-N214 WeakPolarHBondContact O-CB 3.49Å; T210-N214 PolarHBondContact O-N 2.86Å; T210-N214 PolarHBondContact O-ND2 3.33Å
211F95.6Very high93.3Very high0 Ų038.1 Ų38.10%022%0.224CC..Hα-helixtrans-60.4-46.6172.6165.6-102.9000111.8I170 F174 V181 A184 L185 A188 A207 F208 K209 N214 L215I170-F211 HydrophobicContact CG2-CE1 4.28Å; I170-F211 HydrophobicContact CG2-CE2 4.34Å; I170-F211 HydrophobicContact CG2-CZ 3.72Å; F174-F211 HydrophobicContact CD2-CE1 4.08Å; F174-F211 HydrophobicContact CD2-CZ 4.04Å; F174-F211 AromaticContact CE2-CE1 3.7Å; F174-F211 HydrophobicContact CE2-CE1 3.7Å; F174-F211 HydrophobicContact CE2-CZ 4.14Å; F174-F211 HydrophobicContact CZ-CE1 4.24Å; V181-F211 HydrophobicContact CG1-CE2 4.07Å; V181-F211 HydrophobicContact CG1-CZ 4.15Å; A184-F211 HydrophobicContact CB-CD2 3.74Å; A184-F211 HydrophobicContact CB-CE2 3.84Å; L185-F211 HydrophobicContact CD2-CD2 3.81Å; L185-F211 HydrophobicContact CD2-CE2 3.85Å; L185-F211 HydrophobicContact CG-CD2 4.04Å; L185-F211 HydrophobicContact CG-CE2 3.8Å; A188-F211 HydrophobicContact CB-CB 3.94Å; A207-F211 WeakPolarHBondContact O-CB 3.11Å; A207-F211 PolarHBondContact O-N 3.02Å; F208-F211 HydrophobicContact CD2-CD1 4.09Å; F208-F211 HydrophobicContact CE2-CD1 4.21Å; F208-F211 HydrophobicContact CE2-CE1 4.48Å; F208-F211 PolarHBondContact O-N 2.77Å; K209-F211 VanDerWaalsContact C-N 3.31Å; K209-F211 PolarHBondContact O-N 2.98Å; F211-N214 PolarHBondContact O-N 2.9Å; F211-L215 HydrophobicContact CE1-CD2 3.92Å; F211-L215 HydrophobicContact CE2-CD2 4.39Å; F211-L215 HydrophobicContact CZ-CD2 3.66Å; F211-L215 VanDerWaalsContact O-CB 3.25Å; F211-L215 WeakPolarHBondContact O-CB 3.14Å; F211-L215 PolarHBondContact O-N 2.97Å
212L93.8Very high93.3Very high18 Ų1838.2 Ų38.29%0.09422%0.219CC..Hα-helixtrans-68.5-38.2-179.7-75.8-173.2000113.7L148 F174 F208 K209 N214 L215 C216 F705L148-L212 HydrophobicContact CB-CD1 4.2Å; L148-L212 HydrophobicContact CD1-CD1 3.95Å; L148-L212 HydrophobicContact CD2-CD1 3.98Å; L148-L212 HydrophobicContact CG-CD1 4.26Å; F174-L212 HydrophobicContact CE1-CD2 4.23Å; F174-L212 HydrophobicContact CZ-CD2 3.91Å; F208-L212 HydrophobicContact CD1-CD1 4.09Å; F208-L212 HydrophobicContact CD1-CG 4.46Å; F208-L212 HydrophobicContact CE1-CD1 3.41Å; F208-L212 VanDerWaalsContact CE1-CD1 3.41Å; F208-L212 HydrophobicContact CE1-CG 4.04Å; F208-L212 HydrophobicContact CE2-CD1 4.32Å; F208-L212 HydrophobicContact CE2-CD2 4.34Å; F208-L212 HydrophobicContact CE2-CG 4.14Å; F208-L212 HydrophobicContact CZ-CD1 3.56Å; F208-L212 HydrophobicContact CZ-CD2 4.18Å; F208-L212 HydrophobicContact CZ-CG 3.88Å; F208-L212 WeakPolarHBondContact O-CG 3.4Å; F208-L212 PolarHBondContact O-N 3.31Å; K209-L212 PolarHBondContact O-N 3.32Å; K209-L212 VanDerWaalsContact O-N 3.08Å; L212-N214 VanDerWaalsContact C-N 3.33Å; L212-L215 HydrophobicContact CD2-CD2 4.49Å; L212-L215 PolarHBondContact O-N 3.24Å; L212-C216 WeakPolarHBondContact O-CB 3.24Å; L212-C216 PolarHBondContact O-N 3.14Å; L212-F705 HydrophobicContact CD2-CZ 4.14Å
213T91.9Very high93.3Very high41 Ų4139.9 Ų39.925%0.25222%0.222SC..Hα-helixtrans-68.2-34177.952.10000111.9K209 T210 C216 L290K209-T213 PolarHBondContact O-N 3.19Å; K209-T213 PolarHBondContact O-OG1 3.4Å; T210-T213 PolarHBondContact O-OG1 2.94Å; T213-C216 CarbonylContact O-C 3.49Å; T213-L290 HydrophobicContact CG2-CD2 4.23Å
214N94.3Very high93.2Very high66 Ų6640.3 Ų40.335%0.35322%0.224SC..Hα-helixtrans-73.5-39.6171.4-79.6-94.6000112.8A184 S187 T210 F211 L212A184-N214 HydrophobicContact CB-CB 3.93Å; S187-N214 WeakPolarHBondContact CB-OD1 3.5Å; S187-N214 PolarHBondContact OG-OD1 3.15Å; T210-N214 WeakPolarHBondContact O-CB 3.49Å; T210-N214 PolarHBondContact O-N 2.86Å; T210-N214 PolarHBondContact O-ND2 3.33Å; F211-N214 PolarHBondContact O-N 2.9Å; L212-N214 VanDerWaalsContact C-N 3.33Å
215L95.3Very high93.2Very high0 Ų037.6 Ų37.60%021%0.207CC..Hα-helixtrans-68.3-38.9177.7179.458.2000111.9F174 R180 V181 A184 F211 L212 F705 I741F174-L215 HydrophobicContact CB-CD2 4.21Å; F174-L215 HydrophobicContact CD1-CD2 3.69Å; F174-L215 HydrophobicContact CD2-CD2 4.21Å; F174-L215 HydrophobicContact CE1-CD2 4.04Å; F174-L215 HydrophobicContact CG-CD2 3.77Å; F174-L215 HydrophobicContact CZ-CD2 4.46Å; R180-L215 HydrophobicContact CB-CD1 4.35Å; R180-L215 HydrophobicContact CG-CD1 4Å; R180-L215 PolarHBondContact NE-O 2.81Å; R180-L215 PolarHBondContact NH2-O 3.32Å; R180-L215 VanDerWaalsContact NH2-O 3.09Å; V181-L215 HydrophobicContact CG2-CD1 3.7Å; V181-L215 HydrophobicContact CG2-CD2 4.24Å; A184-L215 HydrophobicContact CB-CB 3.82Å; F211-L215 HydrophobicContact CE1-CD2 3.92Å; F211-L215 HydrophobicContact CE2-CD2 4.39Å; F211-L215 HydrophobicContact CZ-CD2 3.66Å; F211-L215 VanDerWaalsContact O-CB 3.25Å; F211-L215 WeakPolarHBondContact O-CB 3.14Å; F211-L215 PolarHBondContact O-N 2.97Å; L212-L215 HydrophobicContact CD2-CD2 4.49Å; L212-L215 PolarHBondContact O-N 3.24Å; L215-F705 HydrophobicContact CD2-CE1 3.78Å; L215-F705 HydrophobicContact CD2-CZ 4.08Å; L215-F705 HydrophobicContact CG-CE1 4.03Å; L215-F705 HydrophobicContact CG-CZ 4.3Å; L215-I741 HydrophobicContact CD1-CD1 4.35Å
216C94.9Very high93.3Very high10 Ų1037.8 Ų37.87%0.06821%0.214CC..SBendtrans-130.269.3-174.5-169.60000111.7L212 T213 R218 F705 I741L212-C216 WeakPolarHBondContact O-CB 3.24Å; L212-C216 PolarHBondContact O-N 3.14Å; T213-C216 CarbonylContact O-C 3.49Å; C216-R218 WeakPolarHBondContact O-CD 3.46Å; C216-R218 WeakPolarHBondContact O-CG 3.38Å; C216-F705 HydrophobicContact CB-CE1 4.45Å; C216-F705 HydrophobicContact CB-CE2 4.14Å; C216-F705 HydrophobicContact CB-CZ 3.72Å; C216-I741 HydrophobicContact CB-CG2 4.44Å
217P93.6Very high93.4Very high55 Ų5539 Ų3936%0.35722%0.219SC..  trans-61.7149.1173.9-21.134.8000111.6R180 P219 N742R180-P217 VanDerWaalsContact NH2-CD 3.31Å; P217-P219 WeakPolarHBondContact O-CD 3.31Å; P217-N742 PolarHBondContact O-ND2 3.04Å
218R94.6Very high93.3Very high13 Ų1339.7 Ų39.75%0.04922%0.218CC..  trans-124.363.3-167.4-57.5-58.6-58.8-75.8-7.1112.2C216 E220 I221 F222 L290 H791 F808C216-R218 WeakPolarHBondContact O-CD 3.46Å; C216-R218 WeakPolarHBondContact O-CG 3.38Å; R218-E220 VanDerWaalsContact CA-OE2 3.25Å; R218-E220 WeakPolarHBondContact CA-OE2 3.46Å; R218-E220 IonicContact CZ-OE1 3.7Å; R218-E220 IonicContact NE-OE1 2.72Å; R218-E220 PolarHBondContact NE-OE1 2.82Å; R218-E220 IonicContact NE-OE2 2.84Å; R218-E220 IonicContact NH2-OE1 3.31Å; R218-E220 PolarHBondContact NH2-OE1 2.94Å; R218-E220 PolarHBondContact O-N 2.82Å; R218-E220 VanDerWaalsContact O-N 3.12Å; R218-I221 HydrophobicContact CB-CB 4.17Å; R218-I221 HydrophobicContact CB-CD1 4.29Å; R218-I221 HydrophobicContact CB-CG1 4.44Å; R218-I221 PolarHBondContact O-N 2.84Å; R218-F222 VanDerWaalsContact O-CD2 3.23Å; R218-F222 WeakPolarHBondContact O-CD2 3.38Å; R218-F222 PolarHBondContact O-N 2.63Å; R218-L290 HydrophobicContact CG-CD1 4.09Å; R218-L290 HydrophobicContact CG-CD2 4.44Å; R218-H791 PolarHBondContact NH1-NE2 3.31Å; R218-H791 PolarHBondContact NH2-NE2 3.05Å; R218-H791 VanDerWaalsContact NH2-NE2 3.17Å; R218-F808 VanDerWaalsContact NH2-CB 3.29Å
219P92.6Very high93Very high73 Ų7339.9 Ų39.947%0.47422%0.221SC..Hα-helixtrans-53.2-34.6-17424.1-35.1000113.2P217 I221 F222 E223 V744P217-P219 WeakPolarHBondContact O-CD 3.31Å; P219-I221 VanDerWaalsContact C-N 3.28Å; P219-I221 PolarHBondContact O-N 2.53Å; P219-F222 PolarHBondContact O-N 3.46Å; P219-E223 PolarHBondContact O-N 2.63Å; P219-V744 HydrophobicContact CG-CG2 4.33Å
220E93.1Very high92.7Very high2 Ų243.7 Ų43.71%0.00925%0.249CC..Hα-helixtrans-65.9-27.3178.677.7-74.7-166.500113.4R218 I224 Y701 S702 F808R218-E220 VanDerWaalsContact CA-OE2 3.25Å; R218-E220 WeakPolarHBondContact CA-OE2 3.46Å; R218-E220 IonicContact CZ-OE1 3.7Å; R218-E220 IonicContact NE-OE1 2.72Å; R218-E220 PolarHBondContact NE-OE1 2.82Å; R218-E220 IonicContact NE-OE2 2.84Å; R218-E220 IonicContact NH2-OE1 3.31Å; R218-E220 PolarHBondContact NH2-OE1 2.94Å; R218-E220 PolarHBondContact O-N 2.82Å; R218-E220 VanDerWaalsContact O-N 3.12Å; E220-I224 VanDerWaalsContact O-CD1 3.29Å; E220-I224 WeakPolarHBondContact O-CD1 3.32Å; E220-I224 VanDerWaalsContact O-CG1 3.25Å; E220-I224 WeakPolarHBondContact O-CG1 3.39Å; E220-I224 PolarHBondContact O-N 3.19Å; E220-I224 VanDerWaalsContact O-N 3.17Å; E220-Y701 HydrophobicContact CB-CD1 4.17Å; E220-S702 WeakPolarHBondContact OE1-CB 3.37Å; E220-S702 PolarHBondContact OE1-OG 2.96Å; E220-F808 HydrophobicContact CG-CD1 3.81Å; E220-F808 HydrophobicContact CG-CE1 4.02Å
221I93.5Very high92.5Very high3 Ų347.9 Ų47.92%0.01526%0.263CS..Hα-helixtrans-81.5-31.3175.8-70.9177.5000110.8R218 P219 F225 F289 L290 L293 F808R218-I221 HydrophobicContact CB-CB 4.17Å; R218-I221 HydrophobicContact CB-CD1 4.29Å; R218-I221 HydrophobicContact CB-CG1 4.44Å; R218-I221 PolarHBondContact O-N 2.84Å; P219-I221 VanDerWaalsContact C-N 3.28Å; P219-I221 PolarHBondContact O-N 2.53Å; I221-F225 VanDerWaalsContact O-CB 3.31Å; I221-F225 WeakPolarHBondContact O-CB 3.44Å; I221-F225 PolarHBondContact O-N 3.4Å; I221-F289 HydrophobicContact CG2-CD1 3.82Å; I221-F289 HydrophobicContact CG2-CE1 4.11Å; I221-L290 HydrophobicContact CD1-CD1 3.49Å; I221-L290 VanDerWaalsContact CD1-CD1 3.49Å; I221-L290 HydrophobicContact CG2-CB 4.33Å; I221-L290 HydrophobicContact CG2-CD1 4.48Å; I221-L293 HydrophobicContact CD1-CD1 4.08Å; I221-L293 HydrophobicContact CG1-CD1 4.21Å; I221-L293 HydrophobicContact CG2-CD1 4.07Å; I221-F808 HydrophobicContact CD1-CD1 4.38Å; I221-F808 HydrophobicContact CD1-CD2 4.46Å; I221-F808 HydrophobicContact CD1-CE1 4.08Å; I221-F808 HydrophobicContact CD1-CE2 4.17Å; I221-F808 HydrophobicContact CD1-CZ 3.97Å; I221-F808 HydrophobicContact CG1-CD1 4.22Å; I221-F808 HydrophobicContact CG1-CE1 3.62Å; I221-F808 HydrophobicContact CG1-CE2 4.45Å; I221-F808 HydrophobicContact CG1-CZ 3.75Å
222F91.1Very high92.2Very high108 Ų10853.3 Ų53.347%0.47430%0.298SS..Hα-helixtrans-66.8-40.5168.5-66-84000111.4R218 P219 F225 T226 P286R218-F222 VanDerWaalsContact O-CD2 3.23Å; R218-F222 WeakPolarHBondContact O-CD2 3.38Å; R218-F222 PolarHBondContact O-N 2.63Å; P219-F222 PolarHBondContact O-N 3.46Å; F222-F225 WeakPolarHBondContact O-CB 3.4Å; F222-F225 PolarHBondContact O-N 3.27Å; F222-T226 WeakPolarHBondContact O-CG2 3.46Å; F222-T226 PolarHBondContact O-N 3.36Å; F222-T226 PolarHBondContact O-OG1 2.75Å; F222-P286 HydrophobicContact CD1-CB 3.62Å; F222-P286 HydrophobicContact CD1-CG 4.1Å; F222-P286 HydrophobicContact CE1-CB 3.42Å; F222-P286 VanDerWaalsContact CE1-CB 3.42Å; F222-P286 HydrophobicContact CE1-CG 4.05Å; F222-P286 HydrophobicContact CZ-CB 4.38Å
223E92.4Very high92.1Very high103 Ų10353.8 Ų53.848%0.48130%0.302SS..Hα-helixtrans-55.8-54173.7-173.2-172.8157.500111P219 F225 T226 S227P219-E223 PolarHBondContact O-N 2.63Å; E223-F225 VanDerWaalsContact C-N 3.33Å; E223-F225 PolarHBondContact O-N 2.73Å; E223-T226 PolarHBondContact O-N 3.19Å; E223-T226 VanDerWaalsContact O-N 3.15Å; E223-T226 PolarHBondContact O-OG1 3.06Å; E223-S227 PolarHBondContact O-N 2.83Å; E223-S227 VanDerWaalsContact O-N 3.13Å
224I92.9Very high92.2Very high9 Ų951.8 Ų51.85%0.04629%0.29CS..Hα-helixtrans-56.8-45.8175.8-65.9158.3000111E220 T226 S227 F242 F289 F789 F808E220-I224 VanDerWaalsContact O-CD1 3.29Å; E220-I224 WeakPolarHBondContact O-CD1 3.32Å; E220-I224 VanDerWaalsContact O-CG1 3.25Å; E220-I224 WeakPolarHBondContact O-CG1 3.39Å; E220-I224 PolarHBondContact O-N 3.19Å; E220-I224 VanDerWaalsContact O-N 3.17Å; I224-T226 PolarHBondContact O-N 3.29Å; I224-S227 PolarHBondContact O-N 3.22Å; I224-S227 PolarHBondContact O-OG 3.21Å; I224-F242 HydrophobicContact CG2-CE2 4.19Å; I224-F289 HydrophobicContact CB-CE1 4.49Å; I224-F289 HydrophobicContact CG2-CE1 3.98Å; I224-F289 HydrophobicContact CG2-CZ 3.93Å; I224-F789 HydrophobicContact CD1-CD1 3.66Å; I224-F789 HydrophobicContact CD1-CE1 3.3Å; I224-F789 HydrophobicContact CD1-CG 4.46Å; I224-F789 HydrophobicContact CD1-CZ 3.86Å; I224-F789 HydrophobicContact CG1-CE1 3.92Å; I224-F789 HydrophobicContact CG1-CZ 3.98Å; I224-F789 HydrophobicContact CG2-CE2 4.15Å; I224-F789 HydrophobicContact CG2-CZ 4.15Å; I224-F808 HydrophobicContact CD1-CE1 3.66Å; I224-F808 HydrophobicContact CD1-CZ 3.87Å
225F93.7Very high92.2Very high5 Ų550.5 Ų50.52%0.02228%0.284CS..Hα-helixtrans-59.3-45.2177.3-178.1-81.5000111.9I221 F222 E223 S227 Y228 S229 M234 P286 F289I221-F225 VanDerWaalsContact O-CB 3.31Å; I221-F225 WeakPolarHBondContact O-CB 3.44Å; I221-F225 PolarHBondContact O-N 3.4Å; F222-F225 WeakPolarHBondContact O-CB 3.4Å; F222-F225 PolarHBondContact O-N 3.27Å; E223-F225 VanDerWaalsContact C-N 3.33Å; E223-F225 PolarHBondContact O-N 2.73Å; F225-S227 VanDerWaalsContact C-N 3.29Å; F225-S227 PolarHBondContact O-N 3.04Å; F225-Y228 CarbonylContact O-C 3.53Å; F225-Y228 PolarHBondContact O-N 2.98Å; F225-S229 PolarHBondContact O-N 3.22Å; F225-M234 HydrophobicContact CD2-CE 3.64Å; F225-M234 HydrophobicContact CE2-CB 3.75Å; F225-M234 HydrophobicContact CE2-CE 3.98Å; F225-M234 HydrophobicContact CG-CE 4.08Å; F225-M234 HydrophobicContact CZ-CB 3.83Å; F225-P286 HydrophobicContact CD1-CG 4Å; F225-P286 HydrophobicContact CD2-CB 4.29Å; F225-P286 HydrophobicContact CD2-CG 4.21Å; F225-P286 HydrophobicContact CE1-CG 3.79Å; F225-P286 HydrophobicContact CE2-CB 4.41Å; F225-P286 HydrophobicContact CE2-CG 4Å; F225-P286 HydrophobicContact CG-CB 4.4Å; F225-P286 HydrophobicContact CG-CG 4.2Å; F225-P286 HydrophobicContact CZ-CG 3.77Å; F225-F289 HydrophobicContact CB-CD1 4.18Å; F225-F289 HydrophobicContact CB-CE1 4.34Å; F225-F289 HydrophobicContact CD2-CB 3.95Å; F225-F289 HydrophobicContact CD2-CD1 4.02Å; F225-F289 HydrophobicContact CD2-CG 4.01Å; F225-F289 HydrophobicContact CE2-CB 4.33Å
226T92.6Very high92Very high84 Ų8452.4 Ų52.452%0.51529%0.293SS..Hα-helixtrans-65.3-29.2-179.553.20000113.6F222 E223 I224 Y228 S229F222-T226 WeakPolarHBondContact O-CG2 3.46Å; F222-T226 PolarHBondContact O-N 3.36Å; F222-T226 PolarHBondContact O-OG1 2.75Å; E223-T226 PolarHBondContact O-N 3.19Å; E223-T226 VanDerWaalsContact O-N 3.15Å; E223-T226 PolarHBondContact O-OG1 3.06Å; I224-T226 PolarHBondContact O-N 3.29Å; T226-Y228 PolarHBondContact O-N 2.84Å; T226-S229 WeakPolarHBondContact CA-O 3.44Å; T226-S229 CarbonylContact O-C 3.53Å; T226-S229 PolarHBondContact O-N 3.41Å
227S92.1Very high91.9Very high89 Ų8957.3 Ų57.362%0.62232%0.315SS*.Hα-helixtrans-63.9-19.4172.275.90000113.9E223 I224 F225E223-S227 PolarHBondContact O-N 2.83Å; E223-S227 VanDerWaalsContact O-N 3.13Å; I224-S227 PolarHBondContact O-N 3.22Å; I224-S227 PolarHBondContact O-OG 3.21Å; F225-S227 VanDerWaalsContact C-N 3.29Å; F225-S227 PolarHBondContact O-N 3.04Å
228Y90.9Very high91.9Very high29 Ų2957.5 Ų57.511%0.11431%0.313CS..Hα-helixtrans-111-11.3175.8-76.6-87.8000114F225 T226 N238 K241 F242 E245 K246F225-Y228 CarbonylContact O-C 3.53Å; F225-Y228 PolarHBondContact O-N 2.98Å; T226-Y228 PolarHBondContact O-N 2.84Å; Y228-N238 WeakPolarHBondContact O-CB 3.39Å; Y228-N238 PolarHBondContact O-ND2 3.49Å; Y228-K241 HydrophobicContact CD1-CD 4.38Å; Y228-K241 HydrophobicContact CE1-CB 4.38Å; Y228-K241 HydrophobicContact CE1-CD 4.05Å; Y228-K241 HydrophobicContact CE1-CG 4.04Å; Y228-F242 HydrophobicContact CD1-CB 4.05Å; Y228-F242 HydrophobicContact CD2-CB 4.44Å; Y228-F242 HydrophobicContact CD2-CD2 4.1Å; Y228-F242 HydrophobicContact CE1-CB 4.01Å; Y228-F242 HydrophobicContact CE2-CB 4.41Å; Y228-F242 AromaticContact CE2-CD2 3.83Å; Y228-F242 HydrophobicContact CE2-CD2 3.83Å; Y228-F242 HydrophobicContact CG-CB 4.29Å; Y228-E245 PolarHBondContact OH-OE2 2.97Å; Y228-K246 HydrophobicContact CE2-CG 4.49Å; Y228-K246 WeakPolarHBondContact OH-CG 3.31Å
229S89.9Confident91.9Very high10 Ų1056.9 Ų56.97%0.0731%0.31CS..  trans-156.4123.2172.6-1670000113F225 T226 K231 T233F225-S229 PolarHBondContact O-N 3.22Å; T226-S229 WeakPolarHBondContact CA-O 3.44Å; T226-S229 CarbonylContact O-C 3.53Å; T226-S229 PolarHBondContact O-N 3.41Å; S229-K231 PolarHBondContact O-N 2.77Å; S229-K231 PolarHBondContact OG-N 3.43Å; S229-K231 PolarHBondContact OG-O 3.29Å; S229-T233 PolarHBondContact OG-O 3.44Å
230T85Confident91.9Very high144 Ų14454.5 Ų54.588%0.88329%0.294SS*.SBendtrans-79.6-1.2167.753.70000113.3
231K88.6Confident91.8Very high143 Ų14359.5 Ų59.562%0.62232%0.316SS*.SBendtrans-99.5155.3177.5-68.3177.3-179.9175.90110.1S229 T233S229-K231 PolarHBondContact O-N 2.77Å; S229-K231 PolarHBondContact OG-N 3.43Å; S229-K231 PolarHBondContact OG-O 3.29Å; K231-T233 PolarHBondContact O-N 2.84Å
232P89.3Confident91.8Very high114 Ų11459.3 Ų59.374%0.7432%0.315SS*.SBendtrans-62.7-8.717926.2-36.5000114.7P286P232-P286 WeakPolarHBondContact O-CD 3.39Å
233T92.3Very high91.8Very high28 Ų2854.5 Ų54.517%0.17229%0.294CS..SBendtrans-130.5148.1169.453.80000109.9S229 K231 L283 I284S229-T233 PolarHBondContact OG-O 3.44Å; K231-T233 PolarHBondContact O-N 2.84Å; T233-L283 HydrophobicContact CG2-CB 4.32Å; T233-I284 CarbonylContact C-O 3.57Å; T233-I284 WeakPolarHBondContact CA-O 3.47Å
234M93.4Very high91.6Very high0 Ų051.4 Ų51.40%028%0.281CS..EExtended strand (participates in β ladder)trans-91.6139.3169.8-173.7-175.1-53.700109F225 N238 F239 L283 I284 F289F225-M234 HydrophobicContact CD2-CE 3.64Å; F225-M234 HydrophobicContact CE2-CB 3.75Å; F225-M234 HydrophobicContact CE2-CE 3.98Å; F225-M234 HydrophobicContact CG-CE 4.08Å; F225-M234 HydrophobicContact CZ-CB 3.83Å; M234-N238 HydrophobicContact CG-CB 3.56Å; M234-N238 HydrophobicContact SD-CB 4.24Å; M234-F239 HydrophobicContact CG-CB 4.47Å; M234-F239 HydrophobicContact SD-CB 3.93Å; M234-F239 HydrophobicContact SD-CD2 4.29Å; M234-L283 WeakPolarHBondContact O-CA 3.26Å; M234-I284 HydrophobicContact CB-CG2 3.88Å; M234-I284 PolarHBondContact N-O 2.92Å; M234-I284 PolarHBondContact O-N 2.76Å; M234-F289 HydrophobicContact CE-CE2 4.49Å
235T93.6Very high91.2Very high38 Ų3855.5 Ų55.523%0.23330%0.3CS..EExtended strand (participates in β ladder)trans-80.7163.1176.4780000111.3E237 N238 F239 L283T235-E237 WeakPolarHBondContact CB-OE2 3.36Å; T235-E237 PolarHBondContact O-N 3.31Å; T235-E237 PolarHBondContact OG1-N 2.83Å; T235-E237 PolarHBondContact OG1-OE2 2.73Å; T235-N238 PolarHBondContact O-N 2.83Å; T235-N238 PolarHBondContact OG1-N 3.01Å; T235-F239 PolarHBondContact O-N 2.85Å; T235-L283 HydrophobicContact CG2-CD2 4.1Å
236K92.4Very high91.1Very high41 Ų4158.5 Ų58.518%0.17831%0.313CS..Hα-helixtrans-53.2-36.1175.2-165.4-169.5-172.3-1590113.2T240 Q262 I265 I269 G282K236-T240 VanDerWaalsContact O-CB 3.31Å; K236-T240 WeakPolarHBondContact O-CB 3.32Å; K236-T240 PolarHBondContact O-N 2.86Å; K236-T240 PolarHBondContact O-OG1 3.49Å; K236-Q262 WeakPolarHBondContact CE-O 3.47Å; K236-Q262 PolarHBondContact NZ-O 2.85Å; K236-I265 HydrophobicContact CG-CG2 4.01Å; K236-I269 HydrophobicContact CB-CD1 4.17Å; K236-I269 HydrophobicContact CG-CD1 4Å; K236-G282 PolarHBondContact N-O 3.25Å; K236-G282 VanDerWaalsContact N-O 3.1Å
237E91.9Very high90.9Very high113 Ų11356.1 Ų56.153%0.52830%0.296SS..Hα-helixtrans-70.6-45.2-179.7-57.465-134.300110.4T235 F239 T240 K241T235-E237 WeakPolarHBondContact CB-OE2 3.36Å; T235-E237 PolarHBondContact O-N 3.31Å; T235-E237 PolarHBondContact OG1-N 2.83Å; T235-E237 PolarHBondContact OG1-OE2 2.73Å; E237-F239 VanDerWaalsContact C-N 3.34Å; E237-F239 PolarHBondContact O-N 3.47Å; E237-T240 VanDerWaalsContact O-CB 3.32Å; E237-T240 WeakPolarHBondContact O-CB 3.44Å; E237-T240 PolarHBondContact O-N 3.21Å; E237-K241 WeakPolarHBondContact O-CB 3.47Å; E237-K241 PolarHBondContact O-N 3.18Å
238N93.3Very high90.6Very high59 Ų5954.3 Ų54.332%0.31628%0.276SS..Hα-helixtrans-68.9-34.7177.9-67.87.9000111.4Y228 M234 T235 K241 F242Y228-N238 WeakPolarHBondContact O-CB 3.39Å; Y228-N238 PolarHBondContact O-ND2 3.49Å; M234-N238 HydrophobicContact CG-CB 3.56Å; M234-N238 HydrophobicContact SD-CB 4.24Å; T235-N238 PolarHBondContact O-N 2.83Å; T235-N238 PolarHBondContact OG1-N 3.01Å; N238-K241 WeakPolarHBondContact O-CB 3.3Å; N238-K241 PolarHBondContact O-N 3.17Å; N238-F242 PolarHBondContact O-N 2.93Å
239F94.1Very high90.1Very high0 Ų053.2 Ų53.20%027%0.271CS..Hα-helixtrans-70-37.8171.3-171.2-130.5000111.8M234 T235 E237 K241 F242 L243 I265 L268 I269 I284 F289 F292M234-F239 HydrophobicContact CG-CB 4.47Å; M234-F239 HydrophobicContact SD-CB 3.93Å; M234-F239 HydrophobicContact SD-CD2 4.29Å; T235-F239 PolarHBondContact O-N 2.85Å; E237-F239 VanDerWaalsContact C-N 3.34Å; E237-F239 PolarHBondContact O-N 3.47Å; F239-K241 VanDerWaalsContact C-N 3.29Å; F239-K241 PolarHBondContact O-N 2.92Å; F239-F242 HydrophobicContact CD2-CD1 4.12Å; F239-F242 HydrophobicContact CE2-CD1 4.1Å; F239-F242 PolarHBondContact O-N 3.31Å; F239-L243 HydrophobicContact CD1-CD1 3.92Å; F239-L243 HydrophobicContact CD2-CD1 4.49Å; F239-L243 HydrophobicContact CD2-CG 4.33Å; F239-L243 HydrophobicContact CE1-CD1 3.74Å; F239-L243 HydrophobicContact CE1-CG 4.42Å; F239-L243 HydrophobicContact CE2-CD1 4.32Å; F239-L243 HydrophobicContact CE2-CD2 4.18Å; F239-L243 HydrophobicContact CE2-CG 4.11Å; F239-L243 HydrophobicContact CG-CD1 4.29Å; F239-L243 HydrophobicContact CZ-CD1 3.95Å; F239-L243 HydrophobicContact CZ-CD2 4.09Å; F239-L243 HydrophobicContact CZ-CG 4.16Å; F239-L243 WeakPolarHBondContact O-CB 3.5Å; F239-L243 VanDerWaalsContact O-CG 3.24Å; F239-L243 WeakPolarHBondContact O-CG 3.46Å; F239-L243 PolarHBondContact O-N 2.88Å; F239-I265 HydrophobicContact CD1-CG2 3.94Å; F239-L268 HydrophobicContact CE1-CB 4.19Å; F239-I269 HydrophobicContact CD1-CD1 4.17Å; F239-I269 HydrophobicContact CD1-CG1 3.84Å; F239-I269 HydrophobicContact CE1-CG1 4.09Å; F239-I284 HydrophobicContact CB-CG2 4.37Å; F239-I284 HydrophobicContact CE1-CD1 4.36Å; F239-I284 HydrophobicContact CE2-CD1 4.45Å; F239-I284 HydrophobicContact CG-CG2 4.3Å; F239-I284 HydrophobicContact CZ-CD1 4.22Å; F239-F289 HydrophobicContact CD2-CD2 4.39Å; F239-F289 HydrophobicContact CE2-CD2 4.11Å; F239-F289 HydrophobicContact CE2-CE2 4.32Å; F239-F292 HydrophobicContact CE2-CD1 4.09Å; F239-F292 HydrophobicContact CE2-CE1 4.33Å; F239-F292 HydrophobicContact CE2-CG 4.36Å; F239-F292 HydrophobicContact CZ-CD1 4.08Å; F239-F292 HydrophobicContact CZ-CD2 4.02Å; F239-F292 HydrophobicContact CZ-CE1 4.35Å; F239-F292 HydrophobicContact CZ-CE2 4.27Å; F239-F292 AromaticContact CZ-CG 3.93Å; F239-F292 HydrophobicContact CZ-CG 3.93Å; F239-F292 HydrophobicContact CZ-CZ 4.44Å
240T92.6Very high89.6Confident23 Ų2356.2 Ų56.214%0.14129%0.292CS..Hα-helixtrans-58-42.5170.1-59.20000110.9K236 E237 N244 Q262 I265K236-T240 VanDerWaalsContact O-CB 3.31Å; K236-T240 WeakPolarHBondContact O-CB 3.32Å; K236-T240 PolarHBondContact O-N 2.86Å; K236-T240 PolarHBondContact O-OG1 3.49Å; E237-T240 VanDerWaalsContact O-CB 3.32Å; E237-T240 WeakPolarHBondContact O-CB 3.44Å; E237-T240 PolarHBondContact O-N 3.21Å; T240-N244 PolarHBondContact O-N 2.86Å; T240-N244 VanDerWaalsContact O-N 3.15Å; T240-N244 PolarHBondContact O-ND2 3.42Å; T240-Q262 PolarHBondContact OG1-NE2 2.84Å; T240-I265 HydrophobicContact CG2-CD1 3.69Å; T240-I265 WeakPolarHBondContact OG1-CD1 3.48Å
241K91.9Very high89.4Confident106 Ų10652.1 Ų52.146%0.46126%0.261SS..Hα-helixtrans-62.3-54.6176.9-171-174.2175.6-175.20110.7Y228 E237 N238 F239 L243 N244 E245Y228-K241 HydrophobicContact CD1-CD 4.38Å; Y228-K241 HydrophobicContact CE1-CB 4.38Å; Y228-K241 HydrophobicContact CE1-CD 4.05Å; Y228-K241 HydrophobicContact CE1-CG 4.04Å; E237-K241 WeakPolarHBondContact O-CB 3.47Å; E237-K241 PolarHBondContact O-N 3.18Å; N238-K241 WeakPolarHBondContact O-CB 3.3Å; N238-K241 PolarHBondContact O-N 3.17Å; F239-K241 VanDerWaalsContact C-N 3.29Å; F239-K241 PolarHBondContact O-N 2.92Å; K241-L243 VanDerWaalsContact C-N 3.35Å; K241-L243 PolarHBondContact O-N 2.6Å; K241-N244 PolarHBondContact O-N 3.26Å; K241-E245 WeakPolarHBondContact CE-OE1 3.16Å; K241-E245 VanDerWaalsContact CE-OE2 3.25Å; K241-E245 WeakPolarHBondContact CE-OE2 3.4Å; K241-E245 VanDerWaalsContact CG-CD 3.41Å; K241-E245 HydrophobicContact CG-CG 4.18Å; K241-E245 WeakPolarHBondContact CG-OE1 3.41Å; K241-E245 WeakPolarHBondContact CG-OE2 3.36Å; K241-E245 IonicContact NZ-OE1 3.92Å; K241-E245 WeakPolarHBondContact O-CB 3.49Å; K241-E245 WeakPolarHBondContact O-CG 3.34Å; K241-E245 PolarHBondContact O-N 3.14Å
242F93.8Very high89Confident0 Ų047.8 Ų47.80%024%0.242CC..Hα-helixtrans-52.3-48.3175.4169.7-96.1000112.9I224 Y228 N238 F239 N244 E245 K246 Q247 F289 F292 L293 F789I224-F242 HydrophobicContact CG2-CE2 4.19Å; Y228-F242 HydrophobicContact CD1-CB 4.05Å; Y228-F242 HydrophobicContact CD2-CB 4.44Å; Y228-F242 HydrophobicContact CD2-CD2 4.1Å; Y228-F242 HydrophobicContact CE1-CB 4.01Å; Y228-F242 HydrophobicContact CE2-CB 4.41Å; Y228-F242 AromaticContact CE2-CD2 3.83Å; Y228-F242 HydrophobicContact CE2-CD2 3.83Å; Y228-F242 HydrophobicContact CG-CB 4.29Å; N238-F242 PolarHBondContact O-N 2.93Å; F239-F242 HydrophobicContact CD2-CD1 4.12Å; F239-F242 HydrophobicContact CE2-CD1 4.1Å; F239-F242 PolarHBondContact O-N 3.31Å; F242-N244 VanDerWaalsContact C-N 3.35Å; F242-N244 PolarHBondContact O-N 3.15Å; F242-E245 PolarHBondContact O-N 3.34Å; F242-K246 HydrophobicContact CD2-CB 4.08Å; F242-K246 HydrophobicContact CD2-CG 4.25Å; F242-K246 HydrophobicContact CE2-CB 3.97Å; F242-K246 HydrophobicContact CE2-CG 4.42Å; F242-K246 WeakPolarHBondContact O-CB 3.42Å; F242-K246 PolarHBondContact O-N 3.2Å; F242-Q247 HydrophobicContact CD1-CG 4.16Å; F242-Q247 HydrophobicContact CE1-CG 3.41Å; F242-Q247 VanDerWaalsContact CE1-CG 3.41Å; F242-Q247 HydrophobicContact CZ-CG 3.73Å; F242-Q247 PolarHBondContact O-N 3.37Å; F242-F289 AromaticContact CD1-CE2 3.79Å; F242-F289 HydrophobicContact CD1-CE2 3.79Å; F242-F289 HydrophobicContact CD1-CZ 4.41Å; F242-F289 HydrophobicContact CD2-CE2 4.32Å; F242-F289 HydrophobicContact CD2-CZ 4.22Å; F242-F289 AromaticContact CE1-CE2 3.54Å; F242-F289 HydrophobicContact CE1-CE2 3.54Å; F242-F289 AromaticContact CE1-CZ 3.98Å; F242-F289 HydrophobicContact CE1-CZ 3.98Å; F242-F289 HydrophobicContact CE2-CE2 4.11Å; F242-F289 AromaticContact CE2-CZ 3.76Å; F242-F289 HydrophobicContact CE2-CZ 3.76Å; F242-F289 HydrophobicContact CG-CE2 4.18Å; F242-F289 AromaticContact CZ-CE2 3.73Å; F242-F289 HydrophobicContact CZ-CE2 3.73Å; F242-F289 AromaticContact CZ-CZ 3.64Å; F242-F289 HydrophobicContact CZ-CZ 3.64Å; F242-F292 HydrophobicContact CE1-CE1 4.11Å; F242-L293 HydrophobicContact CZ-CD2 4.18Å; F242-F789 AromaticContact CE2-CD2 3.62Å; F242-F789 HydrophobicContact CE2-CD2 3.62Å; F242-F789 AromaticContact CE2-CE2 3.86Å; F242-F789 HydrophobicContact CE2-CE2 3.86Å; F242-F789 AromaticContact CZ-CD2 3.85Å; F242-F789 HydrophobicContact CZ-CD2 3.85Å
243L91.7Very high88.5Confident7 Ų746.2 Ų46.24%0.03723%0.228CC..Hα-helixtrans-61.6-40.3-178.9-72.5169.9000112.6F239 K241 Q247 R248 L260 I265 L268 F292F239-L243 HydrophobicContact CD1-CD1 3.92Å; F239-L243 HydrophobicContact CD2-CD1 4.49Å; F239-L243 HydrophobicContact CD2-CG 4.33Å; F239-L243 HydrophobicContact CE1-CD1 3.74Å; F239-L243 HydrophobicContact CE1-CG 4.42Å; F239-L243 HydrophobicContact CE2-CD1 4.32Å; F239-L243 HydrophobicContact CE2-CD2 4.18Å; F239-L243 HydrophobicContact CE2-CG 4.11Å; F239-L243 HydrophobicContact CG-CD1 4.29Å; F239-L243 HydrophobicContact CZ-CD1 3.95Å; F239-L243 HydrophobicContact CZ-CD2 4.09Å; F239-L243 HydrophobicContact CZ-CG 4.16Å; F239-L243 WeakPolarHBondContact O-CB 3.5Å; F239-L243 VanDerWaalsContact O-CG 3.24Å; F239-L243 WeakPolarHBondContact O-CG 3.46Å; F239-L243 PolarHBondContact O-N 2.88Å; K241-L243 VanDerWaalsContact C-N 3.35Å; K241-L243 PolarHBondContact O-N 2.6Å; L243-Q247 HydrophobicContact CD2-CB 4.36Å; L243-Q247 HydrophobicContact CD2-CG 4.23Å; L243-Q247 CarbonylContact O-C 3.6Å; L243-Q247 PolarHBondContact O-N 2.88Å; L243-R248 PolarHBondContact O-N 2.65Å; L243-L260 HydrophobicContact CB-CD1 4.35Å; L243-L260 HydrophobicContact CD1-CD1 4.05Å; L243-L260 HydrophobicContact CD2-CD1 4.44Å; L243-I265 HydrophobicContact CD1-CD1 4.36Å; L243-I265 HydrophobicContact CD1-CG1 4.04Å; L243-I265 HydrophobicContact CD1-CG2 4.28Å; L243-L268 HydrophobicContact CD1-CD1 4.19Å; L243-F292 HydrophobicContact CD2-CE1 3.93Å; L243-F292 HydrophobicContact CD2-CE2 4.09Å; L243-F292 HydrophobicContact CD2-CZ 3.42Å; L243-F292 VanDerWaalsContact CD2-CZ 3.42Å
244N86.4Confident87.8Confident37 Ų3749.3 Ų49.320%0.19824%0.24CC..Hα-helixtrans-84.6-26.2-178.3-71.1-70.5000113.9T240 K241 F242 R248 R259T240-N244 PolarHBondContact O-N 2.86Å; T240-N244 VanDerWaalsContact O-N 3.15Å; T240-N244 PolarHBondContact O-ND2 3.42Å; K241-N244 PolarHBondContact O-N 3.26Å; F242-N244 VanDerWaalsContact C-N 3.35Å; F242-N244 PolarHBondContact O-N 3.15Å; N244-R248 WeakPolarHBondContact O-CB 3.37Å; N244-R259 WeakPolarHBondContact OD1-CB 3.41Å; N244-R259 WeakPolarHBondContact OD1-CG 3.34Å
245E86.6Confident87.1Confident96 Ų9657.6 Ų57.645%0.44928%0.279SS..Hα-helixtrans-91.4-29.2179.6-70.6-179.8167.600114.2Y228 K241 F242Y228-E245 PolarHBondContact OH-OE2 2.97Å; K241-E245 WeakPolarHBondContact CE-OE1 3.16Å; K241-E245 VanDerWaalsContact CE-OE2 3.25Å; K241-E245 WeakPolarHBondContact CE-OE2 3.4Å; K241-E245 VanDerWaalsContact CG-CD 3.41Å; K241-E245 HydrophobicContact CG-CG 4.18Å; K241-E245 WeakPolarHBondContact CG-OE1 3.41Å; K241-E245 WeakPolarHBondContact CG-OE2 3.36Å; K241-E245 IonicContact NZ-OE1 3.92Å; K241-E245 WeakPolarHBondContact O-CB 3.49Å; K241-E245 WeakPolarHBondContact O-CG 3.34Å; K241-E245 PolarHBondContact O-N 3.14Å; F242-E245 PolarHBondContact O-N 3.34Å
246K90.1Very high86.2Confident68 Ų6860.9 Ų60.930%0.29629%0.294SS..THydrogen-bonded Turntrans-122.8-32.5-170.9-60.7-63174.8-169.20114.4Y228 F242 G788 F789 Y810Y228-K246 HydrophobicContact CE2-CG 4.49Å; Y228-K246 WeakPolarHBondContact OH-CG 3.31Å; F242-K246 HydrophobicContact CD2-CB 4.08Å; F242-K246 HydrophobicContact CD2-CG 4.25Å; F242-K246 HydrophobicContact CE2-CB 3.97Å; F242-K246 HydrophobicContact CE2-CG 4.42Å; F242-K246 WeakPolarHBondContact O-CB 3.42Å; F242-K246 PolarHBondContact O-N 3.2Å; K246-G788 WeakPolarHBondContact O-CA 3.34Å; K246-F789 HydrophobicContact CB-CD2 4.25Å; K246-F789 HydrophobicContact CB-CE2 4.1Å; K246-F789 HydrophobicContact CD-CE2 4.46Å; K246-F789 HydrophobicContact CG-CE2 4.25Å; K246-Y810 HydrophobicContact CB-CE2 4.32Å; K246-Y810 HydrophobicContact CD-CE2 3.84Å
247Q89.8Confident85.5Confident33 Ų3362.8 Ų62.815%0.15430%0.303CS..SBendtrans-99.60.9179.1-56-58.3113.100114F242 L243 F292 F789F242-Q247 HydrophobicContact CD1-CG 4.16Å; F242-Q247 HydrophobicContact CE1-CG 3.41Å; F242-Q247 VanDerWaalsContact CE1-CG 3.41Å; F242-Q247 HydrophobicContact CZ-CG 3.73Å; F242-Q247 PolarHBondContact O-N 3.37Å; L243-Q247 HydrophobicContact CD2-CB 4.36Å; L243-Q247 HydrophobicContact CD2-CG 4.23Å; L243-Q247 CarbonylContact O-C 3.6Å; L243-Q247 PolarHBondContact O-N 2.88Å; Q247-F292 HydrophobicContact CG-CE1 4.39Å; Q247-F789 PolarHBondContact NE2-O 2.89Å
248R84.2Confident85Confident52 Ų5261.9 Ų61.920%0.19631%0.307CS..SBendtrans-95.9128.5176.3-175.4-177.7176.584.111.1109.7L243 N244 S250 F252 E254 F257L243-R248 PolarHBondContact O-N 2.65Å; N244-R248 WeakPolarHBondContact O-CB 3.37Å; R248-S250 PolarHBondContact O-N 3.15Å; R248-F252 PolarHBondContact NH2-O 3Å; R248-E254 IonicContact CZ-OE1 2.67Å; R248-E254 IonicContact NE-OE1 3.25Å; R248-E254 IonicContact NH2-OE1 2.99Å; R248-F257 VanDerWaalsContact CZ-O 3.29Å; R248-F257 PolarHBondContact NH1-O 3.04Å; R248-F257 PolarHBondContact NH2-O 2.95Å
249D80.9Confident84.6Confident5 Ų565.8 Ų65.83%0.02732%0.317CS..  trans-72.9123.1169.6-160.5-70000110.9R251 F252 S787D249-R251 PolarHBondContact O-N 2.74Å; D249-R251 VanDerWaalsContact OD1-CB 3.26Å; D249-R251 WeakPolarHBondContact OD1-CB 3.24Å; D249-R251 WeakPolarHBondContact OD1-CG 3.49Å; D249-R251 IonicContact OD1-CZ 3.98Å; D249-R251 PolarHBondContact OD1-N 3.45Å; D249-R251 IonicContact OD1-NE 2.88Å; D249-R251 PolarHBondContact OD1-NE 3.38Å; D249-R251 IonicContact OD1-NH2 2.84Å; D249-R251 IonicContact OD2-CZ 3.77Å; D249-R251 IonicContact OD2-NE 2.72Å; D249-R251 IonicContact OD2-NH2 3.85Å; D249-R251 PolarHBondContact OD2-NH2 2.76Å; D249-F252 HydrophobicContact CB-CD1 4.29Å; D249-F252 HydrophobicContact CB-CD2 3.8Å; D249-F252 HydrophobicContact CB-CE1 4.27Å; D249-F252 HydrophobicContact CB-CE2 3.78Å; D249-F252 HydrophobicContact CB-CG 4.06Å; D249-F252 HydrophobicContact CB-CZ 4.01Å; D249-F252 PolarHBondContact O-N 2.84Å; D249-S787 WeakPolarHBondContact OD2-CB 3.37Å; D249-S787 PolarHBondContact OD2-N 2.79Å; D249-S787 PolarHBondContact OD2-OG 3.46Å
250S79.3Confident84.1Confident73 Ų7369.1 Ų69.151%0.5133%0.334SS..THydrogen-bonded Turntrans-65.7-21.4-177.143.10000113.8R248 F252 V813 K814R248-S250 PolarHBondContact O-N 3.15Å; S250-F252 PolarHBondContact O-N 2.94Å; S250-V813 PolarHBondContact OG-O 3.25Å; S250-K814 WeakPolarHBondContact OG-CG 3.3Å
251R80.8Confident83.9Confident58 Ų5874.9 Ų74.922%0.21935%0.353CS..THydrogen-bonded Turntrans-74.6-11.1178.1-55.7169.4-68.5169.6-1112.5D249 N253 I782 I785D249-R251 PolarHBondContact O-N 2.74Å; D249-R251 VanDerWaalsContact OD1-CB 3.26Å; D249-R251 WeakPolarHBondContact OD1-CB 3.24Å; D249-R251 WeakPolarHBondContact OD1-CG 3.49Å; D249-R251 IonicContact OD1-CZ 3.98Å; D249-R251 PolarHBondContact OD1-N 3.45Å; D249-R251 IonicContact OD1-NE 2.88Å; D249-R251 PolarHBondContact OD1-NE 3.38Å; D249-R251 IonicContact OD1-NH2 2.84Å; D249-R251 IonicContact OD2-CZ 3.77Å; D249-R251 IonicContact OD2-NE 2.72Å; D249-R251 IonicContact OD2-NH2 3.85Å; D249-R251 PolarHBondContact OD2-NH2 2.76Å; R251-N253 PolarHBondContact O-N 2.88Å; R251-I782 PolarHBondContact NH1-O 2.7Å; R251-I782 VanDerWaalsContact NH1-O 3.08Å; R251-I785 PolarHBondContact NH2-O 3.2Å; R251-I785 VanDerWaalsContact NH2-O 3.1Å
252F79.9Confident83.7Confident52 Ų5274.1 Ų74.123%0.22835%0.351CS..SBendtrans-86.2107.9-176.5-66.8-9.8000112.1R248 D249 S250 E254 F257 M302R248-F252 PolarHBondContact NH2-O 3Å; D249-F252 HydrophobicContact CB-CD1 4.29Å; D249-F252 HydrophobicContact CB-CD2 3.8Å; D249-F252 HydrophobicContact CB-CE1 4.27Å; D249-F252 HydrophobicContact CB-CE2 3.78Å; D249-F252 HydrophobicContact CB-CG 4.06Å; D249-F252 HydrophobicContact CB-CZ 4.01Å; D249-F252 PolarHBondContact O-N 2.84Å; S250-F252 PolarHBondContact O-N 2.94Å; F252-E254 PolarHBondContact O-N 3.49Å; F252-F257 HydrophobicContact CB-CB 3.99Å; F252-F257 HydrophobicContact CB-CD2 3.95Å; F252-F257 HydrophobicContact CB-CG 4.1Å; F252-F257 HydrophobicContact CD2-CD1 4.46Å; F252-F257 HydrophobicContact CD2-CG 4.3Å; F252-F257 HydrophobicContact CG-CD2 4.18Å; F252-F257 HydrophobicContact CG-CG 4.26Å; F252-M302 HydrophobicContact CE1-SD 4.28Å; F252-M302 HydrophobicContact CZ-CE 4.47Å; F252-M302 HydrophobicContact CZ-SD 3.74Å
253N78.6Confident83.6Confident82 Ų8278.2 Ų78.244%0.43937%0.374SS..  trans-44.6132.7169.2166.4-84000112.2R251 E255 L256 F257R251-N253 PolarHBondContact O-N 2.88Å; N253-E255 VanDerWaalsContact C-N 3.35Å; N253-E255 PolarHBondContact O-N 2.92Å; N253-E255 WeakPolarHBondContact OD1-CB 3.21Å; N253-E255 PolarHBondContact OD1-N 3.28Å; N253-L256 WeakPolarHBondContact OD1-CG 3.46Å; N253-L256 PolarHBondContact OD1-N 3.07Å; N253-F257 PolarHBondContact O-N 3.34Å
254E79.3Confident83.6Confident92 Ų9281.4 Ų81.443%0.4339%0.388SS..THydrogen-bonded Turntrans-72.3-22.3-169.9-54.3-138.8102.100114.3R248 F252 F257 P258 R259R248-E254 IonicContact CZ-OE1 2.67Å; R248-E254 IonicContact NE-OE1 3.25Å; R248-E254 IonicContact NH2-OE1 2.99Å; F252-E254 PolarHBondContact O-N 3.49Å; E254-F257 CarbonylContact O-C 3.56Å; E254-P258 WeakPolarHBondContact O-CA 3.35Å; E254-R259 VanDerWaalsContact CD-NH2 3.3Å; E254-R259 IonicContact OE1-CZ 3.28Å; E254-R259 VanDerWaalsContact OE1-CZ 3.25Å; E254-R259 IonicContact OE1-NE 3.9Å; E254-R259 PolarHBondContact OE1-NE 3.05Å; E254-R259 IonicContact OE1-NH2 3.77Å; E254-R259 PolarHBondContact OE1-NH2 2.93Å; E254-R259 IonicContact OE2-CZ 3.71Å; E254-R259 IonicContact OE2-NE 3.02Å; E254-R259 IonicContact OE2-NH2 2.94Å; E254-R259 PolarHBondContact OE2-NH2 3.39Å
255E77.3Confident83.8Confident175 Ų17579.6 Ų79.682%0.81838%0.379SS*.THydrogen-bonded Turntrans-79-43.2177.1-55.8-176.7148.800111.7N253N253-E255 VanDerWaalsContact C-N 3.35Å; N253-E255 PolarHBondContact O-N 2.92Å; N253-E255 WeakPolarHBondContact OD1-CB 3.21Å; N253-E255 PolarHBondContact OD1-N 3.28Å
256L75.3Confident84.1Confident106 Ų10677.6 Ų77.656%0.55537%0.368SS*.THydrogen-bonded Turntrans-75.9-26.8179.5-64.2177.5000112.7R5 N253R5-L256 PolarHBondContact NH2-O 3.46Å; R5-L256 VanDerWaalsContact NH2-O 3.13Å; N253-L256 WeakPolarHBondContact OD1-CG 3.46Å; N253-L256 PolarHBondContact OD1-N 3.07Å
257F76.9Confident84.3Confident81 Ų8177.1 Ų77.136%0.35538%0.377SS..SBendtrans-134.574178.8-60.5-84.6000109.5R248 F252 N253 E254R248-F257 VanDerWaalsContact CZ-O 3.29Å; R248-F257 PolarHBondContact NH1-O 3.04Å; R248-F257 PolarHBondContact NH2-O 2.95Å; F252-F257 HydrophobicContact CB-CB 3.99Å; F252-F257 HydrophobicContact CB-CD2 3.95Å; F252-F257 HydrophobicContact CB-CG 4.1Å; F252-F257 HydrophobicContact CD2-CD1 4.46Å; F252-F257 HydrophobicContact CD2-CG 4.3Å; F252-F257 HydrophobicContact CG-CD2 4.18Å; F252-F257 HydrophobicContact CG-CG 4.26Å; N253-F257 PolarHBondContact O-N 3.34Å; E254-F257 CarbonylContact O-C 3.56Å
258P82.1Confident84.5Confident94 Ų9476.3 Ų76.361%0.6137%0.374SS*.PPolyproline II helixtrans-58.7152.8-179.723.8-34.3000112.3E254E254-P258 WeakPolarHBondContact O-CA 3.35Å
259R84.8Confident85Confident142 Ų14273.9 Ų73.954%0.53637%0.365SS..PPolyproline II helixtrans-60.4147.4173.7-63.6-173.8-168-1718.5110.1N244 E254 R261N244-R259 WeakPolarHBondContact OD1-CB 3.41Å; N244-R259 WeakPolarHBondContact OD1-CG 3.34Å; E254-R259 VanDerWaalsContact CD-NH2 3.3Å; E254-R259 IonicContact OE1-CZ 3.28Å; E254-R259 VanDerWaalsContact OE1-CZ 3.25Å; E254-R259 IonicContact OE1-NE 3.9Å; E254-R259 PolarHBondContact OE1-NE 3.05Å; E254-R259 IonicContact OE1-NH2 3.77Å; E254-R259 PolarHBondContact OE1-NH2 2.93Å; E254-R259 IonicContact OE2-CZ 3.71Å; E254-R259 IonicContact OE2-NE 3.02Å; E254-R259 IonicContact OE2-NH2 2.94Å; E254-R259 PolarHBondContact OE2-NH2 3.39Å; R259-R261 PolarHBondContact O-N 3.26Å
260L84.9Confident85.7Confident69 Ų6977 Ų7736%0.36138%0.381SS..PPolyproline II helixtrans-59.7126.8-179.1-77.5167.9000110.3L243 Q264 I265 L268L243-L260 HydrophobicContact CB-CD1 4.35Å; L243-L260 HydrophobicContact CD1-CD1 4.05Å; L243-L260 HydrophobicContact CD2-CD1 4.44Å; L260-Q264 HydrophobicContact CD2-CB 4.26Å; L260-I265 HydrophobicContact CB-CD1 3.96Å; L260-I265 HydrophobicContact CB-CG1 3.84Å; L260-I265 WeakPolarHBondContact O-CD1 3.46Å; L260-L268 HydrophobicContact CD1-CD1 4.23Å
261R87.8Confident86.4Confident144 Ų14478.5 Ų78.554%0.54338%0.379SS..PPolyproline II helixtrans-75.7160.1-178.5-58.9-168.7-51-111.9-2.5111.8R259 D263 Q264 I265R259-R261 PolarHBondContact O-N 3.26Å; R261-D263 VanDerWaalsContact C-N 3.26Å; R261-D263 WeakPolarHBondContact CB-OD1 3.18Å; R261-D263 IonicContact CZ-OD1 3.36Å; R261-D263 IonicContact CZ-OD2 2.83Å; R261-D263 IonicContact NE-OD1 3.78Å; R261-D263 PolarHBondContact NE-OD1 2.83Å; R261-D263 IonicContact NE-OD2 2.76Å; R261-D263 PolarHBondContact NE-OD2 3.43Å; R261-D263 IonicContact NH2-OD1 2.74Å; R261-D263 IonicContact NH2-OD2 3.94Å; R261-D263 PolarHBondContact NH2-OD2 2.84Å; R261-D263 PolarHBondContact O-N 2.95Å; R261-Q264 HydrophobicContact CB-CG 4.23Å; R261-Q264 WeakPolarHBondContact O-CB 3.39Å; R261-Q264 PolarHBondContact O-N 2.94Å; R261-I265 WeakPolarHBondContact O-CG1 3.17Å; R261-I265 PolarHBondContact O-N 3.08Å
262Q88.4Confident87Confident90 Ų9076.2 Ų76.242%0.42137%0.37SS..Hα-helixtrans-63.3-25.7-178.8-74.1-62.3-31.100114.3K236 T240 K266K236-Q262 WeakPolarHBondContact CE-O 3.47Å; K236-Q262 PolarHBondContact NZ-O 2.85Å; T240-Q262 PolarHBondContact OG1-NE2 2.84Å; Q262-K266 PolarHBondContact O-N 2.99Å
263D91.1Very high87.7Confident87 Ų8774.4 Ų74.447%0.46536%0.362SS..Hα-helixtrans-71.5-46169.657.9-61.6000111.6R261 I265 K266 A267R261-D263 VanDerWaalsContact C-N 3.26Å; R261-D263 WeakPolarHBondContact CB-OD1 3.18Å; R261-D263 IonicContact CZ-OD1 3.36Å; R261-D263 IonicContact CZ-OD2 2.83Å; R261-D263 IonicContact NE-OD1 3.78Å; R261-D263 PolarHBondContact NE-OD1 2.83Å; R261-D263 IonicContact NE-OD2 2.76Å; R261-D263 PolarHBondContact NE-OD2 3.43Å; R261-D263 IonicContact NH2-OD1 2.74Å; R261-D263 IonicContact NH2-OD2 3.94Å; R261-D263 PolarHBondContact NH2-OD2 2.84Å; R261-D263 PolarHBondContact O-N 2.95Å; D263-I265 VanDerWaalsContact C-N 3.33Å; D263-I265 PolarHBondContact O-N 3.45Å; D263-K266 PolarHBondContact O-N 2.83Å; D263-A267 PolarHBondContact O-N 2.87Å
264Q90.8Very high88.3Confident73 Ų7373.4 Ų73.434%0.34136%0.36SS..Hα-helixtrans-63.2-39.2-179.5-59.5176.4-57.900111.8L260 R261 A267 L268L260-Q264 HydrophobicContact CD2-CB 4.26Å; R261-Q264 HydrophobicContact CB-CG 4.23Å; R261-Q264 WeakPolarHBondContact O-CB 3.39Å; R261-Q264 PolarHBondContact O-N 2.94Å; Q264-A267 PolarHBondContact O-N 2.79Å; Q264-L268 WeakPolarHBondContact O-CG 3.35Å; Q264-L268 PolarHBondContact O-N 2.98Å
265I92.1Very high88.8Confident0 Ų074 Ų740%037%0.366CS..Hα-helixtrans-69.1-35.3178.5-63.1172.4000111.3K236 F239 T240 L243 L260 R261 D263 L268 I269K236-I265 HydrophobicContact CG-CG2 4.01Å; F239-I265 HydrophobicContact CD1-CG2 3.94Å; T240-I265 HydrophobicContact CG2-CD1 3.69Å; T240-I265 WeakPolarHBondContact OG1-CD1 3.48Å; L243-I265 HydrophobicContact CD1-CD1 4.36Å; L243-I265 HydrophobicContact CD1-CG1 4.04Å; L243-I265 HydrophobicContact CD1-CG2 4.28Å; L260-I265 HydrophobicContact CB-CD1 3.96Å; L260-I265 HydrophobicContact CB-CG1 3.84Å; L260-I265 WeakPolarHBondContact O-CD1 3.46Å; R261-I265 WeakPolarHBondContact O-CG1 3.17Å; R261-I265 PolarHBondContact O-N 3.08Å; D263-I265 VanDerWaalsContact C-N 3.33Å; D263-I265 PolarHBondContact O-N 3.45Å; I265-L268 PolarHBondContact O-N 2.98Å; I265-I269 WeakPolarHBondContact O-CG1 3.32Å; I265-I269 PolarHBondContact O-N 3.38Å; I265-I269 VanDerWaalsContact O-N 3.14Å
266K92.6Very high89.4Confident53 Ų5370.3 Ų70.323%0.2336%0.356CS..Hα-helixtrans-64.5-44.2171.7-17757.1166.475.40110.8Q262 D263 L268 I269 D270 S279Q262-K266 PolarHBondContact O-N 2.99Å; D263-K266 PolarHBondContact O-N 2.83Å; K266-L268 VanDerWaalsContact C-N 3.29Å; K266-L268 PolarHBondContact O-N 3.04Å; K266-I269 PolarHBondContact O-N 3.39Å; K266-I269 VanDerWaalsContact O-N 3.14Å; K266-D270 WeakPolarHBondContact CG-OD2 3.18Å; K266-D270 IonicContact NZ-OD1 3.65Å; K266-D270 PolarHBondContact NZ-OD1 3.01Å; K266-D270 IonicContact NZ-OD2 3.51Å; K266-D270 PolarHBondContact NZ-OD2 2.82Å; K266-D270 VanDerWaalsContact O-CG 3.22Å; K266-D270 PolarHBondContact O-N 2.84Å; K266-S279 WeakPolarHBondContact CE-O 3.44Å; K266-S279 PolarHBondContact NZ-O 3.02Å
267A93.7Very high90.3Very high58 Ų5870.1 Ų70.148%0.47936%0.359SS..Hα-helixtrans-61.8-33176.200000113.4D263 Q264 K271D263-A267 PolarHBondContact O-N 2.87Å; Q264-A267 PolarHBondContact O-N 2.79Å; A267-K271 VanDerWaalsContact O-CB 3.25Å; A267-K271 WeakPolarHBondContact O-CB 3.34Å; A267-K271 PolarHBondContact O-N 2.93Å
268L94.4Very high90.9Very high17 Ų1767.4 Ų67.49%0.08935%0.348CS..Hα-helixtrans-67.3-42.7172.1-71.7172.6000112.3F239 L243 L260 Q264 I265 K266 K271 Y272 F292 E297F239-L268 HydrophobicContact CE1-CB 4.19Å; L243-L268 HydrophobicContact CD1-CD1 4.19Å; L260-L268 HydrophobicContact CD1-CD1 4.23Å; Q264-L268 WeakPolarHBondContact O-CG 3.35Å; Q264-L268 PolarHBondContact O-N 2.98Å; I265-L268 PolarHBondContact O-N 2.98Å; K266-L268 VanDerWaalsContact C-N 3.29Å; K266-L268 PolarHBondContact O-N 3.04Å; L268-K271 PolarHBondContact O-N 3Å; L268-Y272 HydrophobicContact CD2-CE2 4.33Å; L268-Y272 VanDerWaalsContact O-CD2 3.31Å; L268-Y272 WeakPolarHBondContact O-CD2 3.49Å; L268-Y272 PolarHBondContact O-N 3.31Å; L268-F292 HydrophobicContact CD1-CE2 4.36Å; L268-F292 HydrophobicContact CD2-CE2 4.39Å; L268-E297 HydrophobicContact CD2-CG 3.92Å
269I95.1Very high91.3Very high0 Ų063.4 Ų63.40%032%0.322CS..Hα-helixtrans-61.7-47.3174.9-65.6169.3000109.8K236 F239 I265 K266 K271 Y272 E273 L283 I284K236-I269 HydrophobicContact CB-CD1 4.17Å; K236-I269 HydrophobicContact CG-CD1 4Å; F239-I269 HydrophobicContact CD1-CD1 4.17Å; F239-I269 HydrophobicContact CD1-CG1 3.84Å; F239-I269 HydrophobicContact CE1-CG1 4.09Å; I265-I269 WeakPolarHBondContact O-CG1 3.32Å; I265-I269 PolarHBondContact O-N 3.38Å; I265-I269 VanDerWaalsContact O-N 3.14Å; K266-I269 PolarHBondContact O-N 3.39Å; K266-I269 VanDerWaalsContact O-N 3.14Å; I269-K271 PolarHBondContact O-N 2.79Å; I269-Y272 PolarHBondContact O-N 2.8Å; I269-E273 HydrophobicContact CG2-CB 4.26Å; I269-E273 VanDerWaalsContact O-CB 3.24Å; I269-E273 WeakPolarHBondContact O-CB 3.38Å; I269-E273 PolarHBondContact O-N 3.17Å; I269-L283 WeakPolarHBondContact CG2-O 3.46Å; I269-I284 HydrophobicContact CG1-CB 4.37Å; I269-I284 HydrophobicContact CG2-CB 4.4Å
270D94.4Very high91.6Very high70 Ų7062.2 Ų62.237%0.37433%0.326SS..Hα-helixtrans-67-22.9-179-63.7-24000113.9K266 S279K266-D270 WeakPolarHBondContact CG-OD2 3.18Å; K266-D270 IonicContact NZ-OD1 3.65Å; K266-D270 PolarHBondContact NZ-OD1 3.01Å; K266-D270 IonicContact NZ-OD2 3.51Å; K266-D270 PolarHBondContact NZ-OD2 2.82Å; K266-D270 VanDerWaalsContact O-CG 3.22Å; K266-D270 PolarHBondContact O-N 2.84Å; D270-S279 WeakPolarHBondContact OD1-CB 3.32Å; D270-S279 PolarHBondContact OD1-OG 3.01Å
271K94.4Very high91.9Very high106 Ų10667 Ų6746%0.46134%0.34SS..Hα-helixtrans-79.3-30.8174.9-178.7-177.9179.2-165.20113.2A267 L268 I269 E297A267-K271 VanDerWaalsContact O-CB 3.25Å; A267-K271 WeakPolarHBondContact O-CB 3.34Å; A267-K271 PolarHBondContact O-N 2.93Å; L268-K271 PolarHBondContact O-N 3Å; I269-K271 PolarHBondContact O-N 2.79Å; K271-E297 IonicContact NZ-OE1 2.68Å; K271-E297 PolarHBondContact NZ-OE1 2.99Å; K271-E297 IonicContact NZ-OE2 2.71Å; K271-E297 PolarHBondContact NZ-OE2 3.3Å
272Y94Very high92.1Very high10 Ų1060.6 Ų60.64%0.03932%0.318CS..Hα-helixtrans-116.5-25.5-167.5-72.7-60.8000115.5L268 I269 P274 G288 F291 F292 G295 P296 E297L268-Y272 HydrophobicContact CD2-CE2 4.33Å; L268-Y272 VanDerWaalsContact O-CD2 3.31Å; L268-Y272 WeakPolarHBondContact O-CD2 3.49Å; L268-Y272 PolarHBondContact O-N 3.31Å; I269-Y272 PolarHBondContact O-N 2.8Å; Y272-P274 WeakPolarHBondContact O-CD 3.31Å; Y272-G288 VanDerWaalsContact O-CA 3.3Å; Y272-G288 WeakPolarHBondContact O-CA 3.25Å; Y272-F291 HydrophobicContact CD1-CB 3.89Å; Y272-F292 HydrophobicContact CD2-CB 3.8Å; Y272-F292 AromaticContact CD2-CD2 3.9Å; Y272-F292 HydrophobicContact CD2-CD2 3.9Å; Y272-F292 HydrophobicContact CD2-CG 4.37Å; Y272-F292 HydrophobicContact CE2-CB 4.28Å; Y272-F292 AromaticContact CE2-CD2 3.85Å; Y272-F292 HydrophobicContact CE2-CD2 3.85Å; Y272-F292 HydrophobicContact CG-CB 4Å; Y272-G295 WeakPolarHBondContact OH-CA 3.41Å; Y272-P296 WeakPolarHBondContact OH-CD 3.38Å; Y272-E297 PolarHBondContact OH-OE2 3.36Å
273E94.8Very high92.4Very high13 Ų1357.2 Ų57.26%0.06130%0.303CS..  trans-71.5121.4-18017756.4-164.800111.4I269 L275 N278 S285I269-E273 HydrophobicContact CG2-CB 4.26Å; I269-E273 VanDerWaalsContact O-CB 3.24Å; I269-E273 WeakPolarHBondContact O-CB 3.38Å; I269-E273 PolarHBondContact O-N 3.17Å; E273-L275 VanDerWaalsContact C-N 3.28Å; E273-L275 PolarHBondContact O-N 2.8Å; E273-N278 HydrophobicContact CG-CB 3.66Å; E273-N278 VanDerWaalsContact OE1-CB 3.24Å; E273-N278 WeakPolarHBondContact OE1-CB 3.21Å; E273-N278 PolarHBondContact OE1-ND2 3.49Å; E273-S285 WeakPolarHBondContact OE1-CB 3.45Å; E273-S285 PolarHBondContact OE1-OG 3.22Å; E273-S285 VanDerWaalsContact OE2-CB 3.24Å; E273-S285 WeakPolarHBondContact OE2-CB 3.46Å; E273-S285 PolarHBondContact OE2-N 3.07Å; E273-S285 PolarHBondContact OE2-OG 3.41Å
274P89.6Confident92.6Very high61 Ų6153.1 Ų53.140%0.39628%0.281SS..SBendtrans-68.5-23.9-176.5-21.734.4000114.4Y272 E287 F291Y272-P274 WeakPolarHBondContact O-CD 3.31Å; P274-E287 HydrophobicContact CG-CB 4.4Å; P274-E287 HydrophobicContact CG-CG 4.06Å; P274-F291 HydrophobicContact CG-CD2 4.22Å; P274-F291 HydrophobicContact CG-CE2 3.91Å
275L90.6Very high92.8Very high106 Ų10650.4 Ų50.456%0.55527%0.27SS*.  trans-106.2109.5-175.6-63.8176.8000111E273 T277 N278 S279E273-L275 VanDerWaalsContact C-N 3.28Å; E273-L275 PolarHBondContact O-N 2.8Å; L275-T277 PolarHBondContact O-N 2.84Å; L275-N278 HydrophobicContact CB-CB 4.4Å; L275-N278 WeakPolarHBondContact O-CB 3.31Å; L275-N278 PolarHBondContact O-N 3.21Å; L275-S279 PolarHBondContact O-N 2.92Å; L275-S279 VanDerWaalsContact O-N 3.12Å
276T90.2Very high92.9Very high97 Ų9751.7 Ų51.760%0.59528%0.278SS*.Hα-helixtrans-53.2-32.9179.1-37.70000112.9N278 S279 N280T276-N278 VanDerWaalsContact C-N 3.3Å; T276-N278 PolarHBondContact O-N 3.46Å; T276-S279 PolarHBondContact O-N 3.04Å; T276-N280 VanDerWaalsContact O-CB 3.27Å; T276-N280 WeakPolarHBondContact O-CB 3.42Å; T276-N280 PolarHBondContact O-N 3.29Å; T276-N280 PolarHBondContact O-ND2 3.12Å
277T92.8Very high92.8Very high101 Ų10152.5 Ų52.562%0.6228%0.283SS*.Hα-helixtrans-61.7-34.2175.3-47.90000113.1L275 R281L275-T277 PolarHBondContact O-N 2.84Å; T277-R281 WeakPolarHBondContact O-CD 3.3Å; T277-R281 VanDerWaalsContact O-CG 3.25Å; T277-R281 WeakPolarHBondContact O-CG 3.28Å
278N91.4Very high92.8Very high24 Ų2449.7 Ų49.713%0.12826%0.26CS..Hα-helixtrans-79.6-45.7175.3-71.1-16.8000110.7E273 L275 T276 N280 R281 G282 L283E273-N278 HydrophobicContact CG-CB 3.66Å; E273-N278 VanDerWaalsContact OE1-CB 3.24Å; E273-N278 WeakPolarHBondContact OE1-CB 3.21Å; E273-N278 PolarHBondContact OE1-ND2 3.49Å; L275-N278 HydrophobicContact CB-CB 4.4Å; L275-N278 WeakPolarHBondContact O-CB 3.31Å; L275-N278 PolarHBondContact O-N 3.21Å; T276-N278 VanDerWaalsContact C-N 3.3Å; T276-N278 PolarHBondContact O-N 3.46Å; N278-N280 PolarHBondContact O-N 3.48Å; N278-R281 CarbonylContact O-C 3.58Å; N278-R281 WeakPolarHBondContact O-CA 3.23Å; N278-R281 PolarHBondContact O-N 3Å; N278-G282 PolarHBondContact O-N 2.8Å; N278-G282 VanDerWaalsContact O-N 3.14Å; N278-L283 CarbonylContact C-O 3.59Å; N278-L283 HydrophobicContact CB-CB 4.16Å; N278-L283 PolarHBondContact O-N 3.44Å
279S90.1Very high92.9Very high10 Ų1048.9 Ų48.97%0.0726%0.256CS..Hα-helixtrans-57-46.2177.61330000111.9K266 D270 L275 T276 R281 G282K266-S279 WeakPolarHBondContact CE-O 3.44Å; K266-S279 PolarHBondContact NZ-O 3.02Å; D270-S279 WeakPolarHBondContact OD1-CB 3.32Å; D270-S279 PolarHBondContact OD1-OG 3.01Å; L275-S279 PolarHBondContact O-N 2.92Å; L275-S279 VanDerWaalsContact O-N 3.12Å; T276-S279 PolarHBondContact O-N 3.04Å; S279-R281 PolarHBondContact O-N 2.86Å; S279-G282 PolarHBondContact O-N 2.76Å
280N90.8Very high92.9Very high117 Ų11749.8 Ų49.863%0.62626%0.261SS*.Hα-helixtrans-57.9-33.3175-76.4-15.5000112.8T276 N278 G282T276-N280 VanDerWaalsContact O-CB 3.27Å; T276-N280 WeakPolarHBondContact O-CB 3.42Å; T276-N280 PolarHBondContact O-N 3.29Å; T276-N280 PolarHBondContact O-ND2 3.12Å; N278-N280 PolarHBondContact O-N 3.48Å; N280-G282 VanDerWaalsContact C-N 3.34Å
281R92.1Very high92.8Very high171 Ų17147.8 Ų47.865%0.64525%0.249SC*.THydrogen-bonded Turntrans-86.20.3177.7-66.3170.568.4-156.73.7113.7T277 N278 S279 L283T277-R281 WeakPolarHBondContact O-CD 3.3Å; T277-R281 VanDerWaalsContact O-CG 3.25Å; T277-R281 WeakPolarHBondContact O-CG 3.28Å; N278-R281 CarbonylContact O-C 3.58Å; N278-R281 WeakPolarHBondContact O-CA 3.23Å; N278-R281 PolarHBondContact O-N 3Å; S279-R281 PolarHBondContact O-N 2.86Å; R281-L283 VanDerWaalsContact C-N 3.32Å; R281-L283 HydrophobicContact CB-CD1 3.98Å; R281-L283 HydrophobicContact CB-CG 3.95Å
282G91.9Very high92.9Very high8 Ų843 Ų438%0.08223%0.228CC..THydrogen-bonded Turntrans68.131-175.500000113.3K236 N278 S279 N280K236-G282 PolarHBondContact N-O 3.25Å; K236-G282 VanDerWaalsContact N-O 3.1Å; N278-G282 PolarHBondContact O-N 2.8Å; N278-G282 VanDerWaalsContact O-N 3.14Å; S279-G282 PolarHBondContact O-N 2.76Å; N280-G282 VanDerWaalsContact C-N 3.34Å
283L94.1Very high93Very high20 Ų2042.5 Ų42.511%0.10523%0.226CC..EExtended strand (participates in β ladder)trans-110.3141.5-179.7-59.1178.8000110.2T233 M234 T235 I269 N278 R281T233-L283 HydrophobicContact CG2-CB 4.32Å; M234-L283 WeakPolarHBondContact O-CA 3.26Å; T235-L283 HydrophobicContact CG2-CD2 4.1Å; I269-L283 WeakPolarHBondContact CG2-O 3.46Å; N278-L283 CarbonylContact C-O 3.59Å; N278-L283 HydrophobicContact CB-CB 4.16Å; N278-L283 PolarHBondContact O-N 3.44Å; R281-L283 VanDerWaalsContact C-N 3.32Å; R281-L283 HydrophobicContact CB-CD1 3.98Å; R281-L283 HydrophobicContact CB-CG 3.95Å
284I95.4Very high93Very high0 Ų042.9 Ų42.90%023%0.228CC..EExtended strand (participates in β ladder)trans-120.9133174.4-166.3170.3000110.6T233 M234 F239 I269T233-I284 CarbonylContact C-O 3.57Å; T233-I284 WeakPolarHBondContact CA-O 3.47Å; M234-I284 HydrophobicContact CB-CG2 3.88Å; M234-I284 PolarHBondContact N-O 2.92Å; M234-I284 PolarHBondContact O-N 2.76Å; F239-I284 HydrophobicContact CB-CG2 4.37Å; F239-I284 HydrophobicContact CE1-CD1 4.36Å; F239-I284 HydrophobicContact CE2-CD1 4.45Å; F239-I284 HydrophobicContact CG-CG2 4.3Å; F239-I284 HydrophobicContact CZ-CD1 4.22Å; I269-I284 HydrophobicContact CG1-CB 4.37Å; I269-I284 HydrophobicContact CG2-CB 4.4Å
285S94.7Very high93.2Very high16 Ų1640 Ų4011%0.11221%0.209CC..  trans-82.4167176.964.90000111.6E273 E287 G288 F289E273-S285 WeakPolarHBondContact OE1-CB 3.45Å; E273-S285 PolarHBondContact OE1-OG 3.22Å; E273-S285 VanDerWaalsContact OE2-CB 3.24Å; E273-S285 WeakPolarHBondContact OE2-CB 3.46Å; E273-S285 PolarHBondContact OE2-N 3.07Å; E273-S285 PolarHBondContact OE2-OG 3.41Å; S285-E287 PolarHBondContact O-N 2.64Å; S285-G288 PolarHBondContact O-N 2.93Å; S285-G288 PolarHBondContact OG-N 2.66Å; S285-F289 WeakPolarHBondContact O-CB 3.02Å; S285-F289 PolarHBondContact O-N 3.16Å
286P93Very high93.2Very high27 Ų2737.7 Ų37.718%0.17520%0.201CC..Hα-helixtrans-58.9-30.5170.9-24.834.3000113.6F222 F225 P232 L290F222-P286 HydrophobicContact CD1-CB 3.62Å; F222-P286 HydrophobicContact CD1-CG 4.1Å; F222-P286 HydrophobicContact CE1-CB 3.42Å; F222-P286 VanDerWaalsContact CE1-CB 3.42Å; F222-P286 HydrophobicContact CE1-CG 4.05Å; F222-P286 HydrophobicContact CZ-CB 4.38Å; F225-P286 HydrophobicContact CD1-CG 4Å; F225-P286 HydrophobicContact CD2-CB 4.29Å; F225-P286 HydrophobicContact CD2-CG 4.21Å; F225-P286 HydrophobicContact CE1-CG 3.79Å; F225-P286 HydrophobicContact CE2-CB 4.41Å; F225-P286 HydrophobicContact CE2-CG 4Å; F225-P286 HydrophobicContact CG-CB 4.4Å; F225-P286 HydrophobicContact CG-CG 4.2Å; F225-P286 HydrophobicContact CZ-CG 3.77Å; P232-P286 WeakPolarHBondContact O-CD 3.39Å; P286-L290 WeakPolarHBondContact O-CB 3.22Å; P286-L290 PolarHBondContact O-N 2.83Å
287E91.9Very high93.2Very high70 Ų7037 Ų3733%0.32719%0.191SC..Hα-helixtrans-75-42.6176.8-175.1168-149.700111.6P274 S285 F289 L290 F291P274-E287 HydrophobicContact CG-CB 4.4Å; P274-E287 HydrophobicContact CG-CG 4.06Å; S285-E287 PolarHBondContact O-N 2.64Å; E287-F289 VanDerWaalsContact C-N 3.3Å; E287-F289 PolarHBondContact O-N 2.91Å; E287-L290 WeakPolarHBondContact O-CB 3.48Å; E287-L290 PolarHBondContact O-N 2.9Å; E287-F291 HydrophobicContact CG-CD2 4.18Å; E287-F291 HydrophobicContact CG-CE1 4.14Å; E287-F291 HydrophobicContact CG-CE2 3.53Å; E287-F291 HydrophobicContact CG-CZ 3.49Å; E287-F291 VanDerWaalsContact CG-CZ 3.49Å; E287-F291 WeakPolarHBondContact O-CG 3.29Å; E287-F291 PolarHBondContact O-N 2.87Å; E287-F291 WeakPolarHBondContact OE1-CZ 3.42Å
288G93.9Very high93.1Very high0 Ų032.6 Ų32.60%016%0.164CC..Hα-helixtrans-61.6-38.8171.200000112.5Y272 S285 F291 F292Y272-G288 VanDerWaalsContact O-CA 3.3Å; Y272-G288 WeakPolarHBondContact O-CA 3.25Å; S285-G288 PolarHBondContact O-N 2.93Å; S285-G288 PolarHBondContact OG-N 2.66Å; G288-F291 PolarHBondContact O-N 2.78Å; G288-F292 PolarHBondContact O-N 3.29Å
289F95.5Very high93Very high0 Ų032.2 Ų32.20%016%0.163CC..Hα-helixtrans-64.9-42.2174.2-176.8-111.3000112.4I221 I224 F225 M234 F239 F242 S285 E287 F292 L293I221-F289 HydrophobicContact CG2-CD1 3.82Å; I221-F289 HydrophobicContact CG2-CE1 4.11Å; I224-F289 HydrophobicContact CB-CE1 4.49Å; I224-F289 HydrophobicContact CG2-CE1 3.98Å; I224-F289 HydrophobicContact CG2-CZ 3.93Å; F225-F289 HydrophobicContact CB-CD1 4.18Å; F225-F289 HydrophobicContact CB-CE1 4.34Å; F225-F289 HydrophobicContact CD2-CB 3.95Å; F225-F289 HydrophobicContact CD2-CD1 4.02Å; F225-F289 HydrophobicContact CD2-CG 4.01Å; F225-F289 HydrophobicContact CE2-CB 4.33Å; M234-F289 HydrophobicContact CE-CE2 4.49Å; F239-F289 HydrophobicContact CD2-CD2 4.39Å; F239-F289 HydrophobicContact CE2-CD2 4.11Å; F239-F289 HydrophobicContact CE2-CE2 4.32Å; F242-F289 AromaticContact CD1-CE2 3.79Å; F242-F289 HydrophobicContact CD1-CE2 3.79Å; F242-F289 HydrophobicContact CD1-CZ 4.41Å; F242-F289 HydrophobicContact CD2-CE2 4.32Å; F242-F289 HydrophobicContact CD2-CZ 4.22Å; F242-F289 AromaticContact CE1-CE2 3.54Å; F242-F289 HydrophobicContact CE1-CE2 3.54Å; F242-F289 AromaticContact CE1-CZ 3.98Å; F242-F289 HydrophobicContact CE1-CZ 3.98Å; F242-F289 HydrophobicContact CE2-CE2 4.11Å; F242-F289 AromaticContact CE2-CZ 3.76Å; F242-F289 HydrophobicContact CE2-CZ 3.76Å; F242-F289 HydrophobicContact CG-CE2 4.18Å; F242-F289 AromaticContact CZ-CE2 3.73Å; F242-F289 HydrophobicContact CZ-CE2 3.73Å; F242-F289 AromaticContact CZ-CZ 3.64Å; F242-F289 HydrophobicContact CZ-CZ 3.64Å; S285-F289 WeakPolarHBondContact O-CB 3.02Å; S285-F289 PolarHBondContact O-N 3.16Å; E287-F289 VanDerWaalsContact C-N 3.3Å; E287-F289 PolarHBondContact O-N 2.91Å; F289-F292 PolarHBondContact O-N 3.29Å; F289-L293 HydrophobicContact CD1-CD1 4.03Å; F289-L293 HydrophobicContact CE1-CD1 3.64Å; F289-L293 HydrophobicContact CE1-CG 4.47Å; F289-L293 HydrophobicContact CZ-CD1 3.98Å; F289-L293 HydrophobicContact CZ-CG 4.45Å; F289-L293 WeakPolarHBondContact O-CG 3.37Å; F289-L293 PolarHBondContact O-N 2.72Å
290L94.4Very high93.1Very high19 Ų1932.3 Ų32.310%0.09916%0.163CC..Hα-helixtrans-58.9-45171.6171.864.4000111.8T213 R218 I221 P286 E287 L293 M294T213-L290 HydrophobicContact CG2-CD2 4.23Å; R218-L290 HydrophobicContact CG-CD1 4.09Å; R218-L290 HydrophobicContact CG-CD2 4.44Å; I221-L290 HydrophobicContact CD1-CD1 3.49Å; I221-L290 VanDerWaalsContact CD1-CD1 3.49Å; I221-L290 HydrophobicContact CG2-CB 4.33Å; I221-L290 HydrophobicContact CG2-CD1 4.48Å; P286-L290 WeakPolarHBondContact O-CB 3.22Å; P286-L290 PolarHBondContact O-N 2.83Å; E287-L290 WeakPolarHBondContact O-CB 3.48Å; E287-L290 PolarHBondContact O-N 2.9Å; L290-L293 PolarHBondContact O-N 2.9Å; L290-M294 HydrophobicContact CD1-CG 4.48Å; L290-M294 HydrophobicContact CD1-SD 3.57Å; L290-M294 VanDerWaalsContact CD1-SD 3.57Å; L290-M294 HydrophobicContact CG-SD 3.85Å; L290-M294 WeakPolarHBondContact O-CG 3.48Å; L290-M294 PolarHBondContact O-N 2.78Å
291F93.7Very high93.1Very high28 Ų2826.9 Ų26.912%0.12313%0.134CC..Hα-helixtrans-67.5-39.7178.6-63.9-22.5000112.5K209 Y272 P274 E287 G288 L293 M294 G295K209-F291 HydrophobicContact CB-CZ 4.13Å; K209-F291 HydrophobicContact CD-CE1 4.47Å; K209-F291 HydrophobicContact CD-CE2 4.12Å; K209-F291 HydrophobicContact CD-CZ 3.84Å; K209-F291 HydrophobicContact CG-CE1 4.45Å; K209-F291 HydrophobicContact CG-CZ 4.08Å; Y272-F291 HydrophobicContact CD1-CB 3.89Å; P274-F291 HydrophobicContact CG-CD2 4.22Å; P274-F291 HydrophobicContact CG-CE2 3.91Å; E287-F291 HydrophobicContact CG-CD2 4.18Å; E287-F291 HydrophobicContact CG-CE1 4.14Å; E287-F291 HydrophobicContact CG-CE2 3.53Å; E287-F291 HydrophobicContact CG-CZ 3.49Å; E287-F291 VanDerWaalsContact CG-CZ 3.49Å; E287-F291 WeakPolarHBondContact O-CG 3.29Å; E287-F291 PolarHBondContact O-N 2.87Å; E287-F291 WeakPolarHBondContact OE1-CZ 3.42Å; G288-F291 PolarHBondContact O-N 2.78Å; F291-L293 PolarHBondContact O-N 2.96Å; F291-M294 CarbonylContact O-C 3.59Å; F291-M294 PolarHBondContact O-N 2.88Å; F291-M294 VanDerWaalsContact O-N 3.1Å; F291-G295 PolarHBondContact O-N 3.37Å; F291-G295 VanDerWaalsContact O-N 3.07Å
292F95.5Very high92.9Very high5 Ų520.3 Ų20.32%0.02211%0.111CC..Hα-helixtrans-55.9-49.2169.6167.2-96.1000111.3F239 F242 L243 Q247 L268 Y272 G288 F289 M294 G295 E297 T298F239-F292 HydrophobicContact CE2-CD1 4.09Å; F239-F292 HydrophobicContact CE2-CE1 4.33Å; F239-F292 HydrophobicContact CE2-CG 4.36Å; F239-F292 HydrophobicContact CZ-CD1 4.08Å; F239-F292 HydrophobicContact CZ-CD2 4.02Å; F239-F292 HydrophobicContact CZ-CE1 4.35Å; F239-F292 HydrophobicContact CZ-CE2 4.27Å; F239-F292 AromaticContact CZ-CG 3.93Å; F239-F292 HydrophobicContact CZ-CG 3.93Å; F239-F292 HydrophobicContact CZ-CZ 4.44Å; F242-F292 HydrophobicContact CE1-CE1 4.11Å; L243-F292 HydrophobicContact CD2-CE1 3.93Å; L243-F292 HydrophobicContact CD2-CE2 4.09Å; L243-F292 HydrophobicContact CD2-CZ 3.42Å; L243-F292 VanDerWaalsContact CD2-CZ 3.42Å; Q247-F292 HydrophobicContact CG-CE1 4.39Å; L268-F292 HydrophobicContact CD1-CE2 4.36Å; L268-F292 HydrophobicContact CD2-CE2 4.39Å; Y272-F292 HydrophobicContact CD2-CB 3.8Å; Y272-F292 AromaticContact CD2-CD2 3.9Å; Y272-F292 HydrophobicContact CD2-CD2 3.9Å; Y272-F292 HydrophobicContact CD2-CG 4.37Å; Y272-F292 HydrophobicContact CE2-CB 4.28Å; Y272-F292 AromaticContact CE2-CD2 3.85Å; Y272-F292 HydrophobicContact CE2-CD2 3.85Å; Y272-F292 HydrophobicContact CG-CB 4Å; G288-F292 PolarHBondContact O-N 3.29Å; F289-F292 PolarHBondContact O-N 3.29Å; F292-M294 PolarHBondContact O-N 3.27Å; F292-G295 PolarHBondContact O-N 3.41Å; F292-G295 VanDerWaalsContact O-N 3.08Å; F292-E297 HydrophobicContact CE2-CB 4.09Å; F292-T298 HydrophobicContact CD1-CG2 4.23Å; F292-T298 HydrophobicContact CE1-CG2 3.62Å; F292-T298 HydrophobicContact CE2-CG2 4.34Å; F292-T298 HydrophobicContact CZ-CG2 3.67Å
293L95.9Very high92.5Very high0 Ų023 Ų230%012%0.121CC..Hα-helixtrans-63-13.7178.5-72.6175.9000114I221 F242 F289 L290 F291 T298 F789 H791 F808I221-L293 HydrophobicContact CD1-CD1 4.08Å; I221-L293 HydrophobicContact CG1-CD1 4.21Å; I221-L293 HydrophobicContact CG2-CD1 4.07Å; F242-L293 HydrophobicContact CZ-CD2 4.18Å; F289-L293 HydrophobicContact CD1-CD1 4.03Å; F289-L293 HydrophobicContact CE1-CD1 3.64Å; F289-L293 HydrophobicContact CE1-CG 4.47Å; F289-L293 HydrophobicContact CZ-CD1 3.98Å; F289-L293 HydrophobicContact CZ-CG 4.45Å; F289-L293 WeakPolarHBondContact O-CG 3.37Å; F289-L293 PolarHBondContact O-N 2.72Å; L290-L293 PolarHBondContact O-N 2.9Å; F291-L293 PolarHBondContact O-N 2.96Å; L293-T298 HydrophobicContact CD2-CG2 4.47Å; L293-T298 PolarHBondContact O-OG1 3.05Å; L293-F789 HydrophobicContact CD2-CB 3.77Å; L293-H791 PolarHBondContact O-ND1 2.98Å; L293-F808 HydrophobicContact CD1-CE2 4.15Å; L293-F808 HydrophobicContact CD1-CZ 4.03Å
294M94.7Very high92.1Very high20 Ų2024.8 Ų24.810%0.09913%0.131CC..Hα-helixtrans-105.9-6.8178.1-70.7168.637.200113.8C143 R144 Q145 L148 L290 F291 F292 H791C143-M294 WeakPolarHBondContact CB-O 3.29Å; R144-M294 HydrophobicContact CB-CB 4.11Å; R144-M294 HydrophobicContact CB-CG 4.21Å; R144-M294 HydrophobicContact CG-CB 4.42Å; R144-M294 HydrophobicContact CG-CE 4.4Å; R144-M294 HydrophobicContact CG-CG 4.09Å; R144-M294 PolarHBondContact N-O 2.89Å; Q145-M294 WeakPolarHBondContact CB-O 3.24Å; Q145-M294 PolarHBondContact N-O 3.39Å; L148-M294 HydrophobicContact CD1-CE 3.31Å; L290-M294 HydrophobicContact CD1-CG 4.48Å; L290-M294 HydrophobicContact CD1-SD 3.57Å; L290-M294 VanDerWaalsContact CD1-SD 3.57Å; L290-M294 HydrophobicContact CG-SD 3.85Å; L290-M294 WeakPolarHBondContact O-CG 3.48Å; L290-M294 PolarHBondContact O-N 2.78Å; F291-M294 CarbonylContact O-C 3.59Å; F291-M294 PolarHBondContact O-N 2.88Å; F291-M294 VanDerWaalsContact O-N 3.1Å; F292-M294 PolarHBondContact O-N 3.27Å; M294-H791 VanDerWaalsContact CG-CE1 3.47Å; M294-H791 WeakPolarHBondContact CG-CE1 3.45Å
295G93.9Very high91.7Very high0 Ų027.5 Ų27.50%014%0.143CC..SBendtrans-81.6175.1-175.900000115C143 Y272 F291 F292 E297 T298C143-G295 VanDerWaalsContact CB-C 3.4Å; C143-G295 WeakPolarHBondContact CB-O 3.46Å; Y272-G295 WeakPolarHBondContact OH-CA 3.41Å; F291-G295 PolarHBondContact O-N 3.37Å; F291-G295 VanDerWaalsContact O-N 3.07Å; F292-G295 PolarHBondContact O-N 3.41Å; F292-G295 VanDerWaalsContact O-N 3.08Å; G295-E297 VanDerWaalsContact C-N 3.26Å; G295-E297 PolarHBondContact O-N 2.88Å; G295-T298 PolarHBondContact O-N 3.14Å; G295-T298 PolarHBondContact O-OG1 2.78Å
296P91.1Very high91.4Very high59 Ų5926.8 Ų26.838%0.38314%0.137SC..G310 helixtrans-62.2-27.217923.4-34.1000114.5Y272 T298 S299Y272-P296 WeakPolarHBondContact OH-CD 3.38Å; P296-T298 PolarHBondContact O-N 3.28Å; P296-S299 WeakPolarHBondContact O-CB 3.18Å; P296-S299 PolarHBondContact O-N 3.1Å
297E89.7Confident91.1Very high83 Ų8325.8 Ų25.839%0.38813%0.131SC..G310 helixtrans-66.6-17.2179-68.783.9179.300114.1L268 K271 Y272 F292 G295L268-E297 HydrophobicContact CD2-CG 3.92Å; K271-E297 IonicContact NZ-OE1 2.68Å; K271-E297 PolarHBondContact NZ-OE1 2.99Å; K271-E297 IonicContact NZ-OE2 2.71Å; K271-E297 PolarHBondContact NZ-OE2 3.3Å; Y272-E297 PolarHBondContact OH-OE2 3.36Å; F292-E297 HydrophobicContact CE2-CB 4.09Å; G295-E297 VanDerWaalsContact C-N 3.26Å; G295-E297 PolarHBondContact O-N 2.88Å
298T91.5Very high90.6Very high8 Ų827.3 Ų27.35%0.04914%0.137CC..G310 helixtrans-106.730.2175.762.40000112.8F292 L293 G295 P296 V300 H790F292-T298 HydrophobicContact CD1-CG2 4.23Å; F292-T298 HydrophobicContact CE1-CG2 3.62Å; F292-T298 HydrophobicContact CE2-CG2 4.34Å; F292-T298 HydrophobicContact CZ-CG2 3.67Å; L293-T298 HydrophobicContact CD2-CG2 4.47Å; L293-T298 PolarHBondContact O-OG1 3.05Å; G295-T298 PolarHBondContact O-N 3.14Å; G295-T298 PolarHBondContact O-OG1 2.78Å; P296-T298 PolarHBondContact O-N 3.28Å; T298-V300 PolarHBondContact O-N 3.25Å; T298-V300 VanDerWaalsContact O-N 3.14Å; T298-H790 PolarHBondContact O-ND1 3.41Å
299S89.6Confident90.1Very high16 Ų1628.7 Ų28.711%0.11215%0.146CC..  trans-59.7111.8173.8178.80000112.1P296 V301 Q786P296-S299 WeakPolarHBondContact O-CB 3.18Å; P296-S299 PolarHBondContact O-N 3.1Å; S299-V301 PolarHBondContact O-N 3.08Å; S299-V301 PolarHBondContact OG-O 3.24Å; S299-Q786 PolarHBondContact O-NE2 3.26Å; S299-Q786 PolarHBondContact O-OE1 3.48Å
300V91.7Very high89.9Confident12 Ų1231.6 Ų31.67%0.07316%0.16CC..SBendtrans-59.8-15.7178.872.40000114.5T298 I780 I785 Q786 H790 I792 I811T298-V300 PolarHBondContact O-N 3.25Å; T298-V300 VanDerWaalsContact O-N 3.14Å; V300-I780 HydrophobicContact CG1-CD1 3.98Å; V300-I780 HydrophobicContact CG2-CD1 4.05Å; V300-I785 HydrophobicContact CG2-CG1 4.21Å; V300-I785 WeakPolarHBondContact O-CA 3.44Å; V300-Q786 PolarHBondContact O-N 2.88Å; V300-H790 HydrophobicContact CB-CB 3.92Å; V300-H790 HydrophobicContact CG2-CB 3.96Å; V300-I792 HydrophobicContact CB-CG1 4.44Å; V300-I792 HydrophobicContact CG1-CG1 4.26Å; V300-I792 HydrophobicContact CG2-CD1 4.19Å; V300-I792 HydrophobicContact CG2-CG1 4.13Å; V300-I811 HydrophobicContact CG2-CD1 3.63Å
301V90.9Very high89.9Confident2 Ų233.7 Ų33.71%0.01217%0.171CC..BIsolated β-bridgetrans-115.9134.7176.2-171.60000110.1S299 Q303 L306 F661 I780 A784S299-V301 PolarHBondContact O-N 3.08Å; S299-V301 PolarHBondContact OG-O 3.24Å; V301-Q303 PolarHBondContact O-N 2.9Å; V301-L306 HydrophobicContact CB-CD1 4.2Å; V301-L306 HydrophobicContact CG1-CD1 3.73Å; V301-L306 HydrophobicContact CG1-CD2 4.41Å; V301-L306 HydrophobicContact CG1-CG 3.88Å; V301-F661 HydrophobicContact CG1-CE1 3.62Å; V301-F661 HydrophobicContact CG1-CZ 3.98Å; V301-I780 HydrophobicContact CG2-CD1 4.2Å; V301-I780 HydrophobicContact CG2-CG1 4.49Å; V301-I780 HydrophobicContact CG2-CG2 4Å; V301-A784 WeakPolarHBondContact CA-O 3.41Å; V301-A784 HydrophobicContact CG1-CB 4.36Å
302M87.6Confident90Very high34 Ų3432.8 Ų32.817%0.16717%0.168CC..  trans-64.8115.7168.1-73.9-169.7-8200111.1F252 D304 K305 D783 A784 Q786F252-M302 HydrophobicContact CE1-SD 4.28Å; F252-M302 HydrophobicContact CZ-CE 4.47Å; F252-M302 HydrophobicContact CZ-SD 3.74Å; M302-D304 VanDerWaalsContact C-N 3.3Å; M302-D304 PolarHBondContact O-N 3.38Å; M302-K305 HydrophobicContact CB-CG 3.95Å; M302-K305 HydrophobicContact CE-CG 4.45Å; M302-K305 WeakPolarHBondContact O-CB 3.2Å; M302-K305 PolarHBondContact O-N 3.48Å; M302-D783 WeakPolarHBondContact CE-O 3.47Å; M302-A784 PolarHBondContact N-O 3.3Å; M302-Q786 HydrophobicContact CG-CG 3.83Å
303Q84.2Confident90.1Very high63 Ų6336.9 Ų36.929%0.29419%0.193SC..Hα-helixtrans-64.6-33-175.6-66.1-176.7-0.400112.6L8 V301 K305 L306 A307L8-Q303 HydrophobicContact CD1-CB 4.28Å; V301-Q303 PolarHBondContact O-N 2.9Å; Q303-K305 PolarHBondContact O-N 2.97Å; Q303-K305 VanDerWaalsContact O-N 3.14Å; Q303-L306 WeakPolarHBondContact O-CB 3.44Å; Q303-L306 PolarHBondContact O-N 3.26Å; Q303-A307 PolarHBondContact O-N 2.95Å
304D84.6Confident90.1Very high58 Ų5839.1 Ų39.131%0.3120%0.203SC..Hα-helixtrans-52.8-32.1171.3-65.466.1000113.7R5 Y6 M302 C309R5-D304 VanDerWaalsContact CA-OD2 3.24Å; R5-D304 WeakPolarHBondContact CA-OD2 3.36Å; R5-D304 WeakPolarHBondContact CB-OD2 3.47Å; Y6-D304 PolarHBondContact N-OD2 2.9Å; Y6-D304 WeakPolarHBondContact O-CA 3.5Å; M302-D304 VanDerWaalsContact C-N 3.3Å; M302-D304 PolarHBondContact O-N 3.38Å; D304-C309 WeakPolarHBondContact O-CB 3.24Å; D304-C309 PolarHBondContact O-SG 3.3Å
305K87.4Confident90.2Very high57 Ų5739 Ų3925%0.24820%0.204CC..Hα-helixtrans-80.3-26179.4-58.9-75.2-169.9162.30112.7M302 Q303 F661 N662 D783 A784M302-K305 HydrophobicContact CB-CG 3.95Å; M302-K305 HydrophobicContact CE-CG 4.45Å; M302-K305 WeakPolarHBondContact O-CB 3.2Å; M302-K305 PolarHBondContact O-N 3.48Å; Q303-K305 PolarHBondContact O-N 2.97Å; Q303-K305 VanDerWaalsContact O-N 3.14Å; K305-F661 HydrophobicContact CB-CD1 4.08Å; K305-F661 HydrophobicContact CB-CE1 4.42Å; K305-N662 PolarHBondContact O-N 3.5Å; K305-N662 VanDerWaalsContact O-N 3.11Å; K305-D783 VanDerWaalsContact CE-O 3.3Å; K305-D783 WeakPolarHBondContact CE-O 3.28Å; K305-D783 WeakPolarHBondContact CE-OD2 3.35Å; K305-D783 IonicContact NZ-OD1 3.16Å; K305-D783 PolarHBondContact NZ-OD1 3.39Å; K305-D783 IonicContact NZ-OD2 2.78Å; K305-D783 PolarHBondContact NZ-OD2 3.11Å; K305-A784 HydrophobicContact CB-CB 4.1Å; K305-A784 HydrophobicContact CG-CB 4.16Å
306L88.1Confident90.3Very high1 Ų139 Ų391%0.00520%0.204CC..Hα-helixtrans-79.7-29.9175.2-71.5166.6000111.3L8 N141 V301 Q303 E660 F661 G663L8-L306 HydrophobicContact CD1-CB 3.67Å; N141-L306 HydrophobicContact CB-CD1 3.6Å; N141-L306 VanDerWaalsContact CG-CD1 3.47Å; V301-L306 HydrophobicContact CB-CD1 4.2Å; V301-L306 HydrophobicContact CG1-CD1 3.73Å; V301-L306 HydrophobicContact CG1-CD2 4.41Å; V301-L306 HydrophobicContact CG1-CG 3.88Å; Q303-L306 WeakPolarHBondContact O-CB 3.44Å; Q303-L306 PolarHBondContact O-N 3.26Å; L306-E660 HydrophobicContact CD2-CG 4.12Å; L306-F661 HydrophobicContact CD2-CD1 3.76Å; L306-F661 HydrophobicContact CD2-CE1 3.6Å; L306-F661 HydrophobicContact CD2-CE2 4.41Å; L306-F661 HydrophobicContact CD2-CG 4.23Å; L306-F661 HydrophobicContact CD2-CZ 3.94Å; L306-F661 HydrophobicContact CG-CD1 4.16Å; L306-F661 HydrophobicContact CG-CE1 3.95Å; L306-G663 VanDerWaalsContact O-CA 3.29Å; L306-G663 WeakPolarHBondContact O-CA 3.42Å; L306-G663 PolarHBondContact O-N 3.13Å
307A86.8Confident90.6Very high6 Ų636.3 Ų36.35%0.0519%0.187CC..SBendtrans-63.9164.2168.600000112.4L8 Q303 C309 N662 G663L8-A307 HydrophobicContact CD2-CB 3.71Å; L8-A307 HydrophobicContact CG-CB 4Å; Q303-A307 PolarHBondContact O-N 2.95Å; A307-C309 VanDerWaalsContact C-N 3.34Å; A307-C309 PolarHBondContact O-N 2.63Å; A307-N662 CarbonylContact O-C 3.3Å; A307-N662 VanDerWaalsContact O-CA 3.25Å; A307-N662 WeakPolarHBondContact O-CA 3.35Å; A307-G663 PolarHBondContact O-N 3.26Å
308K83.1Confident91Very high103 Ų10333.3 Ų33.345%0.44817%0.172SC..SBendtrans-72.289.2170178-170.6154.9178.90108.8Y6 Y399 T665Y6-K308 WeakPolarHBondContact CE1-O 3.32Å; K308-Y399 HydrophobicContact CD-CE2 4.33Å; K308-Y399 WeakPolarHBondContact CE-OH 3.47Å; K308-Y399 PolarHBondContact NZ-OH 2.93Å; K308-T665 HydrophobicContact CD-CG2 4.43Å; K308-T665 HydrophobicContact CG-CG2 4.28Å
309C82.6Confident91.3Very high28 Ų2832.9 Ų32.919%0.18917%0.17CC..  trans-116.6-18.5-168.465.90000115.2Y6 D304 A307 N662Y6-C309 HydrophobicContact CD2-CB 3.38Å; Y6-C309 VanDerWaalsContact CE2-CA 3.49Å; Y6-C309 HydrophobicContact CE2-CB 3.63Å; Y6-C309 WeakPolarHBondContact CE2-O 3.46Å; Y6-C309 HydrophobicContact CG-CB 3.92Å; D304-C309 WeakPolarHBondContact O-CB 3.24Å; D304-C309 PolarHBondContact O-SG 3.3Å; A307-C309 VanDerWaalsContact C-N 3.34Å; A307-C309 PolarHBondContact O-N 2.63Å; C309-N662 PolarHBondContact N-OD1 2.83Å; C309-N662 VanDerWaalsContact N-OD1 3.15Å
310Q91.1Very high91.7Very high62 Ų6233.2 Ų33.229%0.2917%0.169SC..SBendtrans-80.3158-174.7-61.5-178.5-20.100111.6M312 N662 L669Q310-M312 PolarHBondContact O-N 2.64Å; Q310-N662 HydrophobicContact CG-CB 4.17Å; Q310-N662 PolarHBondContact N-OD1 2.89Å; Q310-N662 VanDerWaalsContact N-OD1 3.12Å; Q310-N662 PolarHBondContact OE1-ND2 2.93Å; Q310-L669 HydrophobicContact CB-CB 4.32Å
311D94.4Very high92Very high63 Ų6332.7 Ų32.734%0.33717%0.166SC..  trans-66.1123.3170.4177.516.7000109.8T313 Q314 Y319 L669D311-T313 WeakPolarHBondContact OD1-CB 3.39Å; D311-T313 PolarHBondContact OD1-N 3.21Å; D311-T313 PolarHBondContact OD1-OG1 3.1Å; D311-T313 PolarHBondContact OD2-OG1 3.19Å; D311-Q314 WeakPolarHBondContact OD2-CG 3.49Å; D311-Q314 PolarHBondContact OD2-NE2 3.17Å; D311-Y319 VanDerWaalsContact O-CE1 3.32Å; D311-Y319 WeakPolarHBondContact O-CE1 3.45Å; D311-Y319 PolarHBondContact O-OH 3.28Å; D311-L669 HydrophobicContact CB-CD2 4.27Å
312M96.3Very high92.4Very high9 Ų932.8 Ų32.84%0.04417%0.166CC..  trans-106.89.6-179.8-59.9-54.4-6200112.9Q310 Y319 Y399 P449 S450 N662 Y667Q310-M312 PolarHBondContact O-N 2.64Å; M312-Y319 VanDerWaalsContact C-OH 3.23Å; M312-Y319 WeakPolarHBondContact CA-OH 3.15Å; M312-Y319 HydrophobicContact CE-CE1 4.12Å; M312-Y319 HydrophobicContact SD-CE1 3.9Å; M312-Y399 HydrophobicContact CB-CE1 3.93Å; M312-Y399 WeakPolarHBondContact CB-OH 3.49Å; M312-Y399 HydrophobicContact CE-CD1 3.76Å; M312-Y399 HydrophobicContact CE-CD2 4.36Å; M312-Y399 HydrophobicContact CE-CE1 3.54Å; M312-Y399 HydrophobicContact CE-CE2 4.16Å; M312-Y399 HydrophobicContact CE-CG 4.18Å; M312-Y399 HydrophobicContact CG-CE1 4.18Å; M312-Y399 WeakPolarHBondContact CG-OH 3.13Å; M312-P449 HydrophobicContact CE-CB 4Å; M312-P449 HydrophobicContact CE-CG 4.4Å; M312-S450 WeakPolarHBondContact O-CB 3.33Å; M312-S450 PolarHBondContact O-N 2.93Å; M312-S450 VanDerWaalsContact O-N 3.1Å; M312-N662 PolarHBondContact SD-ND2 3.2Å; M312-Y667 HydrophobicContact CE-CG 4.29Å
313T96.3Very high92.9Very high90 Ų9031.1 Ų31.155%0.55216%0.158SC*.  trans-101.3-1.1-177.170.30000114.2D311 Y319 S448D311-T313 WeakPolarHBondContact OD1-CB 3.39Å; D311-T313 PolarHBondContact OD1-N 3.21Å; D311-T313 PolarHBondContact OD1-OG1 3.1Å; D311-T313 PolarHBondContact OD2-OG1 3.19Å; T313-Y319 PolarHBondContact N-OH 3.28Å; T313-S448 VanDerWaalsContact C-CB 3.41Å; T313-S448 VanDerWaalsContact O-CB 3.3Å; T313-S448 WeakPolarHBondContact O-CB 3.28Å
314Q96.7Very high93.6Very high47 Ų4728.1 Ų28.122%0.2214%0.144CC..SBendtrans-72.2157.5172.5-55.8-71.3-5300110.6D311 H318 Y319 S448 P449 L669 R675D311-Q314 WeakPolarHBondContact OD2-CG 3.49Å; D311-Q314 PolarHBondContact OD2-NE2 3.17Å; Q314-H318 HydrophobicContact CB-CB 3.92Å; Q314-H318 PolarHBondContact OE1-ND1 2.99Å; Q314-Y319 HydrophobicContact CB-CE2 3.77Å; Q314-Y319 WeakPolarHBondContact CB-OH 3.47Å; Q314-Y319 PolarHBondContact N-OH 3.4Å; Q314-Y319 WeakPolarHBondContact O-CE2 3.46Å; Q314-S448 WeakPolarHBondContact O-CA 3.44Å; Q314-S448 WeakPolarHBondContact O-CB 3.35Å; Q314-P449 WeakPolarHBondContact O-CD 3.28Å; Q314-L669 HydrophobicContact CB-CD1 4.2Å; Q314-L669 HydrophobicContact CG-CD1 3.8Å; Q314-R675 VanDerWaalsContact OE1-NH1 3.09Å
315P96.3Very high94.2Very high17 Ų1726.1 Ų26.111%0.1113%0.133CC..  trans-56.1145170.6-27.837000113P317 H318 Q445P315-P317 VanDerWaalsContact C-N 3.3Å; P315-P317 WeakPolarHBondContact O-CD 3.39Å; P315-P317 VanDerWaalsContact O-N 3.07Å; P315-H318 VanDerWaalsContact O-CB 3.3Å; P315-H318 WeakPolarHBondContact O-CB 3.27Å; P315-H318 PolarHBondContact O-N 2.64Å; P315-Q445 HydrophobicContact CG-CB 4.3Å; P315-Q445 HydrophobicContact CG-CG 4.47Å
316I96.8Very high94.7Very high1 Ų123.7 Ų23.71%0.00512%0.123CC..G310 helixtrans-45.1-38.9177.9-77.9168.6000115.6H318 Y319 I321 I446 P447 P449 L452 M613I316-H318 PolarHBondContact O-N 3.18Å; I316-H318 VanDerWaalsContact O-N 3.07Å; I316-Y319 PolarHBondContact O-N 3.45Å; I316-I321 HydrophobicContact CG2-CD1 3.94Å; I316-I446 HydrophobicContact CB-CD1 3.97Å; I316-I446 HydrophobicContact CB-CG1 4.27Å; I316-I446 HydrophobicContact CG2-CD1 4.25Å; I316-P447 WeakPolarHBondContact CG1-O 3.45Å; I316-P447 PolarHBondContact N-O 3.01Å; I316-P449 HydrophobicContact CG1-CG 4.03Å; I316-L452 HydrophobicContact CD1-CD1 3.63Å; I316-M613 HydrophobicContact CG2-CG 4.38Å; I316-M613 HydrophobicContact CG2-SD 3.65Å
317P96.8Very high95.1Very high2 Ų223.7 Ų23.71%0.01312%0.123CC..G310 helixtrans-63.8-14.3179.7-22.935.9000114.4P315 Y319 I446 M613 Q639 K670P315-P317 VanDerWaalsContact C-N 3.3Å; P315-P317 WeakPolarHBondContact O-CD 3.39Å; P315-P317 VanDerWaalsContact O-N 3.07Å; P317-Y319 VanDerWaalsContact C-N 3.29Å; P317-Y319 PolarHBondContact O-N 3.09Å; P317-I446 HydrophobicContact CG-CD1 3.83Å; P317-I446 HydrophobicContact CG-CG1 4.01Å; P317-M613 HydrophobicContact CG-CG 4.26Å; P317-Q639 WeakPolarHBondContact O-CG 3.42Å; P317-Q639 PolarHBondContact O-NE2 3.45Å; P317-K670 WeakPolarHBondContact O-CE 3.34Å; P317-K670 PolarHBondContact O-NZ 3.02Å
318H97.7Very high95.6Very high20 Ų2023.4 Ų23.49%0.09312%0.121CC..G310 helixtrans-81.31.9177.6-71.4-174.5000114.2Q314 P315 I316 K610 L669 K670 R675Q314-H318 HydrophobicContact CB-CB 3.92Å; Q314-H318 PolarHBondContact OE1-ND1 2.99Å; P315-H318 VanDerWaalsContact O-CB 3.3Å; P315-H318 WeakPolarHBondContact O-CB 3.27Å; P315-H318 PolarHBondContact O-N 2.64Å; I316-H318 PolarHBondContact O-N 3.18Å; I316-H318 VanDerWaalsContact O-N 3.07Å; H318-K610 PolarHBondContact CD2-O 2.84Å; H318-K610 PolarHBondContact NE2-O 3.06Å; H318-L669 HydrophobicContact CB-CD1 4.34Å; H318-K670 WeakPolarHBondContact O-CB 3.22Å; H318-K670 WeakPolarHBondContact O-CG 3.28Å; H318-K670 PolarHBondContact O-N 3.06Å; H318-R675 HydrophobicContact CB-CG 3.98Å
319Y98.3Very high96.2Very high0 Ų018.5 Ų18.50%010%0.099CC..EExtended strand (participates in β ladder)trans-119.4147.2-179-58.9-96.1000112.8D311 M312 T313 Q314 I316 P317 P449 Q639 Y667 L668 L669D311-Y319 VanDerWaalsContact O-CE1 3.32Å; D311-Y319 WeakPolarHBondContact O-CE1 3.45Å; D311-Y319 PolarHBondContact O-OH 3.28Å; M312-Y319 VanDerWaalsContact C-OH 3.23Å; M312-Y319 WeakPolarHBondContact CA-OH 3.15Å; M312-Y319 HydrophobicContact CE-CE1 4.12Å; M312-Y319 HydrophobicContact SD-CE1 3.9Å; T313-Y319 PolarHBondContact N-OH 3.28Å; Q314-Y319 HydrophobicContact CB-CE2 3.77Å; Q314-Y319 WeakPolarHBondContact CB-OH 3.47Å; Q314-Y319 PolarHBondContact N-OH 3.4Å; Q314-Y319 WeakPolarHBondContact O-CE2 3.46Å; I316-Y319 PolarHBondContact O-N 3.45Å; P317-Y319 VanDerWaalsContact C-N 3.29Å; P317-Y319 PolarHBondContact O-N 3.09Å; Y319-P449 HydrophobicContact CD2-CG 3.74Å; Y319-P449 HydrophobicContact CE2-CG 3.54Å; Y319-P449 HydrophobicContact CG-CG 4.33Å; Y319-Q639 WeakPolarHBondContact O-CB 3.28Å; Y319-Q639 WeakPolarHBondContact O-CG 3.32Å; Y319-Y667 HydrophobicContact CD1-CD1 4.38Å; Y319-Y667 AromaticContact CG-CD1 4Å; Y319-Y667 HydrophobicContact CG-CD1 4Å; Y319-L668 CarbonylContact C-O 3.58Å; Y319-L668 WeakPolarHBondContact CA-O 3.4Å; Y319-L668 WeakPolarHBondContact CB-O 3.32Å; Y319-L669 HydrophobicContact CD1-CB 4.1Å; Y319-L669 HydrophobicContact CD1-CD1 4.2Å; Y319-L669 HydrophobicContact CE1-CB 3.94Å; Y319-L669 HydrophobicContact CE1-CD1 3.73Å; Y319-L669 HydrophobicContact CE1-CG 4.43Å; Y319-L669 HydrophobicContact CE2-CD1 4.4Å
320F98.4Very high96.7Very high22 Ų2218.8 Ų18.810%0.09610%0.1CC..EExtended strand (participates in β ladder)trans-74.9137.8154-55.2-55.8000109.1W634 C638 F659 Y667 L668 K670 M674 M760F320-W634 HydrophobicContact CD1-CB 4.22Å; F320-W634 AromaticContact CD1-CD1 3.42Å; F320-W634 VanDerWaalsContact CD1-CD1 3.42Å; F320-W634 HydrophobicContact CD1-CG 4.02Å; F320-W634 HydrophobicContact CE1-CB 3.69Å; F320-W634 AromaticContact CE1-CD1 3.78Å; F320-W634 HydrophobicContact CE1-CG 4.01Å; F320-W634 WeakPolarHBondContact CE1-O 3.19Å; F320-W634 HydrophobicContact CE2-CB 4.5Å; F320-W634 AromaticContact CG-CD1 3.96Å; F320-W634 HydrophobicContact CG-CG 4.44Å; F320-W634 HydrophobicContact CZ-CB 3.85Å; F320-W634 HydrophobicContact CZ-CG 4.42Å; F320-W634 WeakPolarHBondContact CZ-O 3.39Å; F320-C638 WeakPolarHBondContact CD1-O 3.49Å; F320-F659 HydrophobicContact CB-CE1 4.47Å; F320-F659 HydrophobicContact CB-CZ 4.07Å; F320-Y667 WeakPolarHBondContact O-CA 3.31Å; F320-L668 HydrophobicContact CB-CB 4.41Å; F320-L668 PolarHBondContact N-O 2.99Å; F320-L668 PolarHBondContact O-N 3.45Å; F320-K670 HydrophobicContact CD1-CD 3.94Å; F320-K670 HydrophobicContact CD1-CG 3.92Å; F320-K670 HydrophobicContact CD2-CG 3.99Å; F320-K670 HydrophobicContact CE1-CD 3.54Å; F320-K670 HydrophobicContact CE1-CG 3.71Å; F320-K670 HydrophobicContact CE2-CB 4.43Å; F320-K670 HydrophobicContact CE2-CD 4.5Å; F320-K670 HydrophobicContact CE2-CG 3.79Å; F320-K670 HydrophobicContact CG-CG 4.07Å; F320-K670 HydrophobicContact CZ-CB 4.42Å; F320-K670 HydrophobicContact CZ-CD 3.86Å; F320-K670 HydrophobicContact CZ-CG 3.64Å; F320-M674 HydrophobicContact CZ-SD 4.31Å; F320-M760 HydrophobicContact CE2-CE 4.45Å; F320-M760 HydrophobicContact CZ-CE 3.93Å
321I98.6Very high96.8Very high1 Ų117.9 Ų17.91%0.00510%0.103CC..EExtended strand (participates in β ladder)trans-124121.3-171.7-53.8176.6000108.5I316 S323 R352 C353 Q639 M640 Y667I316-I321 HydrophobicContact CG2-CD1 3.94Å; I321-S323 PolarHBondContact O-N 2.97Å; I321-S323 VanDerWaalsContact O-N 3.1Å; I321-S323 PolarHBondContact O-OG 2.73Å; I321-R352 HydrophobicContact CG2-CB 3.84Å; I321-C353 HydrophobicContact CG2-CB 4.5Å; I321-Q639 HydrophobicContact CD1-CB 4.06Å; I321-Q639 HydrophobicContact CG1-CB 4.17Å; I321-Q639 PolarHBondContact N-O 3.29Å; I321-M640 HydrophobicContact CB-CG 4.32Å; I321-M640 HydrophobicContact CD1-CE 3.83Å; I321-M640 HydrophobicContact CD1-CG 4.16Å; I321-Y667 HydrophobicContact CB-CE1 4.48Å; I321-Y667 HydrophobicContact CD1-CE1 3.81Å; I321-Y667 HydrophobicContact CG1-CD1 3.97Å; I321-Y667 HydrophobicContact CG1-CE1 3.64Å; I321-Y667 HydrophobicContact CG2-CE1 4.2Å
322K98.4Very high96.4Very high4 Ų416 Ų162%0.01710%0.098CC..  trans-61.9116179.3-169.9174-167.6177.50109.6S349 C351 R352 C353 Y645 M656 F659 G666K322-S349 PolarHBondContact NZ-O 3.11Å; K322-C351 HydrophobicContact CG-CB 4.37Å; K322-C351 PolarHBondContact O-SG 2.72Å; K322-R352 PolarHBondContact O-N 2.91Å; K322-C353 PolarHBondContact O-N 3.21Å; K322-C353 VanDerWaalsContact O-N 3.11Å; K322-Y645 WeakPolarHBondContact CE-OH 3.29Å; K322-Y645 WeakPolarHBondContact CG-OH 3.49Å; K322-M656 PolarHBondContact NZ-SD 2.89Å; K322-F659 HydrophobicContact CB-CB 4.33Å; K322-F659 HydrophobicContact CB-CD1 3.82Å; K322-F659 HydrophobicContact CB-CD2 3.79Å; K322-F659 HydrophobicContact CB-CE1 3.97Å; K322-F659 HydrophobicContact CB-CE2 3.94Å; K322-F659 HydrophobicContact CB-CG 3.72Å; K322-F659 HydrophobicContact CB-CZ 4.04Å; K322-F659 HydrophobicContact CD-CB 3.67Å; K322-F659 HydrophobicContact CD-CD2 4.12Å; K322-F659 HydrophobicContact CD-CG 3.96Å; K322-F659 HydrophobicContact CG-CB 4.26Å; K322-F659 HydrophobicContact CG-CD2 3.79Å; K322-F659 HydrophobicContact CG-CE2 4.24Å; K322-F659 HydrophobicContact CG-CG 3.97Å; K322-G666 PolarHBondContact N-O 3.46Å
323S98.6Very high95.9Very high0 Ų016.2 Ų16.20%010%0.099CC..EExtended strand (participates in β ladder)trans-130.6145.6-166.1-59.50000112.3I321 C353 M640 L643 Y645I321-S323 PolarHBondContact O-N 2.97Å; I321-S323 VanDerWaalsContact O-N 3.1Å; I321-S323 PolarHBondContact O-OG 2.73Å; S323-C353 CarbonylContact C-O 3.49Å; S323-C353 WeakPolarHBondContact CA-O 3.19Å; S323-C353 WeakPolarHBondContact OG-CB 3.37Å; S323-M640 VanDerWaalsContact OG-CA 3.3Å; S323-M640 WeakPolarHBondContact OG-CA 3.41Å; S323-L643 PolarHBondContact O-N 3.34Å; S323-Y645 WeakPolarHBondContact O-CE2 3.26Å; S323-Y645 PolarHBondContact O-OH 3.38Å
324S98.4Very high95.3Very high0 Ų015.8 Ų15.80%09%0.09CC..EExtended strand (participates in β ladder)trans-117.7148176.8170.70000110.8T327 C353 R615 L643S324-T327 WeakPolarHBondContact CB-OG1 3.49Å; S324-T327 PolarHBondContact OG-OG1 3.26Å; S324-C353 PolarHBondContact N-O 3.48Å; S324-R615 PolarHBondContact O-NH2 3.08Å; S324-L643 WeakPolarHBondContact CA-O 3.34Å
325H97.7Very high94.9Very high16 Ų1617.7 Ų17.77%0.07411%0.108CC..SBendtrans-109.1146.8169.7171.2-106.4000109.3T327 E355 P618 A642 L643 N644H325-T327 PolarHBondContact O-N 3.31Å; H325-T327 VanDerWaalsContact O-N 3.07Å; H325-E355 IonicContact CD2-OE2 4Å; H325-E355 PolarHBondContact CD2-OE2 3.21Å; H325-E355 VanDerWaalsContact CD2-OE2 3.22Å; H325-E355 IonicContact CG-OE2 3.72Å; H325-P618 HydrophobicContact CB-CG 4.21Å; H325-A642 HydrophobicContact CB-CB 4.04Å; H325-L643 PolarHBondContact N-O 3.36Å; H325-N644 PolarHBondContact ND1-OD1 3.3Å
326N96.7Very high94.4Very high5 Ų517 Ų173%0.02710%0.104CC..SBendtrans36.752.2-179.7-66.55.9000113.2Y328 L329 Q333 E355 D357N326-Y328 HydrophobicContact CB-CE1 4Å; N326-Y328 PolarHBondContact O-N 3.16Å; N326-L329 HydrophobicContact CB-CD1 3.96Å; N326-L329 HydrophobicContact CB-CG 4.38Å; N326-L329 PolarHBondContact O-N 2.76Å; N326-Q333 PolarHBondContact ND2-OE1 3.27Å; N326-E355 PolarHBondContact N-OE2 3.07Å; N326-D357 PolarHBondContact OD1-OD2 2.87Å
327T97.8Very high94.3Very high2 Ų220.7 Ų20.71%0.01213%0.127CC..THydrogen-bonded Turntrans-56.8-21.6-164.6-56.60000114.2S324 H325 M342 Y343 C346 L354 E355S324-T327 WeakPolarHBondContact CB-OG1 3.49Å; S324-T327 PolarHBondContact OG-OG1 3.26Å; H325-T327 PolarHBondContact O-N 3.31Å; H325-T327 VanDerWaalsContact O-N 3.07Å; T327-M342 WeakPolarHBondContact O-CB 3.42Å; T327-Y343 HydrophobicContact CG2-CD1 3.56Å; T327-Y343 HydrophobicContact CG2-CE1 3.74Å; T327-Y343 HydrophobicContact CG2-CG 4.01Å; T327-C346 HydrophobicContact CG2-CB 4.2Å; T327-L354 HydrophobicContact CG2-CB 4.31Å; T327-L354 HydrophobicContact CG2-CD2 4.14Å; T327-E355 PolarHBondContact OG1-N 3.33Å
328Y96.7Very high94.3Very high0 Ų020.8 Ų20.80%013%0.128CC..THydrogen-bonded Turntrans-70.7-27.8176.750.9-84.1000113.9N326 S338 S339 D357 I370 H372N326-Y328 HydrophobicContact CB-CE1 4Å; N326-Y328 PolarHBondContact O-N 3.16Å; Y328-S338 WeakPolarHBondContact CD2-OG 3.41Å; Y328-S338 CarbonylContact O-C 3.5Å; Y328-S338 VanDerWaalsContact O-CA 3.29Å; Y328-S338 WeakPolarHBondContact O-CA 3.4Å; Y328-S339 PolarHBondContact O-N 3Å; Y328-D357 HydrophobicContact CE1-CB 3.88Å; Y328-D357 VanDerWaalsContact CE1-CG 3.48Å; Y328-D357 VanDerWaalsContact CE1-OD2 3.29Å; Y328-D357 WeakPolarHBondContact CE1-OD2 3.24Å; Y328-D357 VanDerWaalsContact CZ-OD2 3.28Å; Y328-D357 PolarHBondContact OH-OD2 3.46Å; Y328-I370 HydrophobicContact CD1-CG2 3.58Å; Y328-I370 HydrophobicContact CD2-CG2 4.25Å; Y328-I370 HydrophobicContact CE1-CG2 4.18Å; Y328-I370 HydrophobicContact CG-CG2 3.65Å; Y328-H372 HydrophobicContact CE2-CB 4.05Å; Y328-H372 WeakPolarHBondContact OH-CA 3.28Å; Y328-H372 VanDerWaalsContact OH-CB 3.3Å; Y328-H372 WeakPolarHBondContact OH-CB 3.41Å
329L96.1Very high94.2Very high0 Ų021.2 Ų21.20%013%0.133CC..BIsolated β-bridgetrans-77133.7-171.8-67.2177.9000113.6N326 Q333 C377N326-L329 HydrophobicContact CB-CD1 3.96Å; N326-L329 HydrophobicContact CB-CG 4.38Å; N326-L329 PolarHBondContact O-N 2.76Å; L329-Q333 VanDerWaalsContact CD1-OE1 3.29Å; L329-C377 HydrophobicContact CD2-CB 4.16Å
330T93.6Very high94.2Very high33 Ų3322.3 Ų22.320%0.20214%0.14CC..SBendtrans-94.4-3.9172.8740000113.9V337 M342 Q646T330-V337 WeakPolarHBondContact CG2-O 3.32Å; T330-V337 PolarHBondContact N-O 2.8Å; T330-V337 PolarHBondContact OG1-O 2.8Å; T330-M342 HydrophobicContact CG2-CG 3.69Å; T330-M342 HydrophobicContact CG2-SD 4.05Å; T330-Q646 WeakPolarHBondContact O-CB 3.37Å
331A92.4Very high94.1Very high44 Ų4422 Ų2236%0.36414%0.139SC..SBendtrans-154.7-149.5-171.300000112.2S625 Q646A331-S625 PolarHBondContact O-OG 3.01Å; A331-Q646 WeakPolarHBondContact O-CG 3.3Å; A331-Q646 PolarHBondContact O-NE2 3.35Å
332G85.4Confident94Very high22 Ų2222.2 Ų22.223%0.22714%0.14CC..  trans-62.2157.917700000114F334 G336 M623 S625G332-F334 PolarHBondContact O-N 3.31Å; G332-G336 VanDerWaalsContact O-CA 3.31Å; G332-G336 WeakPolarHBondContact O-CA 3.48Å; G332-G336 PolarHBondContact O-N 2.85Å; G332-G336 VanDerWaalsContact O-N 3.14Å; G332-M623 CarbonylContact C-O 3.57Å; G332-M623 WeakPolarHBondContact CA-O 3.4Å; G332-S625 WeakPolarHBondContact CA-OG 3.45Å
333Q85.4Confident94Very high14 Ų1422 Ų227%0.06514%0.139CC..THydrogen-bonded Turntrans-73.9-19.1-171.6-57.4-68.7-43.800114.4N326 L329 H372 C377 R622 M623 S625 N644N326-Q333 PolarHBondContact ND2-OE1 3.27Å; L329-Q333 VanDerWaalsContact CD1-OE1 3.29Å; Q333-H372 PolarHBondContact O-ND1 2.68Å; Q333-C377 PolarHBondContact O-SG 3.46Å; Q333-R622 WeakPolarHBondContact CG-O 3.37Å; Q333-M623 PolarHBondContact N-O 3.07Å; Q333-S625 PolarHBondContact N-OG 2.85Å; Q333-S625 PolarHBondContact NE2-OG 2.89Å; Q333-N644 PolarHBondContact NE2-OD1 3.25Å
334F85.4Confident94Very high81 Ų8123.9 Ų23.936%0.35515%0.146SC..THydrogen-bonded Turntrans-97.4-27.2-173.1-172.7-98.9000114.8G332 T375 M376 M623G332-F334 PolarHBondContact O-N 3.31Å; F334-T375 HydrophobicContact CD2-CG2 4.27Å; F334-T375 WeakPolarHBondContact O-CB 3.43Å; F334-M376 HydrophobicContact CE1-CE 4.17Å; F334-M376 HydrophobicContact CE1-CG 3.97Å; F334-M376 HydrophobicContact CE1-SD 3.98Å; F334-M376 HydrophobicContact CZ-CE 4.26Å; F334-M376 HydrophobicContact CZ-CG 4.22Å; F334-M376 CarbonylContact O-C 3.53Å; F334-M376 WeakPolarHBondContact O-CA 3.46Å; F334-M376 WeakPolarHBondContact O-CB 3.47Å; F334-M376 PolarHBondContact O-N 3.08Å; F334-M623 HydrophobicContact CB-CE 3.75Å; F334-M623 HydrophobicContact CD2-CE 3.82Å; F334-M623 HydrophobicContact CG-CE 3.86Å
335S87.1Confident94Very high87 Ų8724 Ų2461%0.60815%0.147SC*.THydrogen-bonded Turntrans-14725.1-17454.60000112.4
336G86.6Confident94Very high2 Ų223.2 Ų23.22%0.02114%0.143CC..PPolyproline II helixtrans-72.2152.7178.500000112.8G332 C377 T378G332-G336 VanDerWaalsContact O-CA 3.31Å; G332-G336 WeakPolarHBondContact O-CA 3.48Å; G332-G336 PolarHBondContact O-N 2.85Å; G332-G336 VanDerWaalsContact O-N 3.14Å; G336-C377 PolarHBondContact N-SG 3.48Å; G336-C377 VanDerWaalsContact N-SG 3.4Å; G336-C377 VanDerWaalsContact O-CA 3.24Å; G336-C377 WeakPolarHBondContact O-CA 3.23Å; G336-C377 WeakPolarHBondContact O-CB 3.17Å; G336-T378 PolarHBondContact O-N 3.03Å
337V94.6Very high94.1Very high79 Ų7923 Ų2348%0.47914%0.142SC..PPolyproline II helixtrans-78.5131.5167.5178.70000108.3T330 T378T330-V337 WeakPolarHBondContact CG2-O 3.32Å; T330-V337 PolarHBondContact N-O 2.8Å; T330-V337 PolarHBondContact OG1-O 2.8Å; V337-T378 HydrophobicContact CG2-CG2 4.45Å
338S96.1Very high94Very high5 Ų523 Ų234%0.03514%0.141CC..BIsolated β-bridgetrans-88.9139.4169.6-54.70000109.6Y328 T378 I380Y328-S338 WeakPolarHBondContact CD2-OG 3.41Å; Y328-S338 CarbonylContact O-C 3.5Å; Y328-S338 VanDerWaalsContact O-CA 3.29Å; Y328-S338 WeakPolarHBondContact O-CA 3.4Å; S338-T378 WeakPolarHBondContact CB-O 3.44Å; S338-T378 PolarHBondContact N-OG1 3.1Å; S338-T378 PolarHBondContact OG-O 3.08Å; S338-I380 VanDerWaalsContact O-CG2 3.27Å; S338-I380 WeakPolarHBondContact O-CG2 3.46Å
339S96.6Very high94Very high28 Ų2823.8 Ų23.820%0.19615%0.147CC..  trans-148.6131.2-176.7-177.50000113.9Y328 E341 M342Y328-S339 PolarHBondContact O-N 3Å; S339-E341 PolarHBondContact O-N 2.91Å; S339-E341 VanDerWaalsContact O-N 3.14Å; S339-E341 WeakPolarHBondContact OG-CB 3.39Å; S339-E341 PolarHBondContact OG-N 3.27Å; S339-M342 PolarHBondContact O-N 3.33Å
340P96.8Very high94Very high24 Ų2423.9 Ų23.916%0.15615%0.148CC..Hα-helixtrans-60.2-19.1169.2-22.534000113.7I380 D384 V385 A388P340-I380 HydrophobicContact CG-CD1 4.2Å; P340-D384 HydrophobicContact CG-CB 4.01Å; P340-V385 HydrophobicContact CB-CG2 4.21Å; P340-V385 HydrophobicContact CG-CG2 4.2Å; P340-A388 HydrophobicContact CB-CB 4.14Å; P340-A388 WeakPolarHBondContact O-CB 3.18Å
341E97.3Very high94.2Very high16 Ų1622.3 Ų22.38%0.07514%0.139CC..Hα-helixtrans-67.8-33.4178.1-174.258.3-150.400112.6R68 L110 Y112 S339 Y343 R344 Q345R68-E341 IonicContact CZ-OE1 2.72Å; R68-E341 IonicContact CZ-OE2 3.16Å; R68-E341 IonicContact NH1-OE1 3.32Å; R68-E341 IonicContact NH1-OE2 2.65Å; R68-E341 PolarHBondContact NH1-OE2 3.32Å; R68-E341 IonicContact NH2-OE1 2.72Å; R68-E341 PolarHBondContact NH2-OE1 3.5Å; R68-E341 IonicContact NH2-OE2 2.98Å; R68-E341 PolarHBondContact NH2-OE2 3.19Å; L110-E341 HydrophobicContact CD1-CG 3.48Å; L110-E341 VanDerWaalsContact CD1-CG 3.48Å; Y112-E341 WeakPolarHBondContact OH-CG 3.45Å; S339-E341 PolarHBondContact O-N 2.91Å; S339-E341 VanDerWaalsContact O-N 3.14Å; S339-E341 WeakPolarHBondContact OG-CB 3.39Å; S339-E341 PolarHBondContact OG-N 3.27Å; E341-Y343 VanDerWaalsContact C-N 3.27Å; E341-Y343 PolarHBondContact O-N 3.45Å; E341-R344 WeakPolarHBondContact O-CB 3.23Å; E341-R344 PolarHBondContact O-N 2.98Å; E341-R344 WeakPolarHBondContact OE2-CD 3.34Å; E341-R344 IonicContact OE2-NH1 3.02Å; E341-R344 PolarHBondContact OE2-NH1 3.34Å; E341-Q345 HydrophobicContact CG-CG 4.35Å; E341-Q345 WeakPolarHBondContact O-CG 3.38Å; E341-Q345 PolarHBondContact O-N 3.45Å; E341-Q345 PolarHBondContact OE1-NE2 3.02Å
342M97.2Very high94.5Very high4 Ų420.2 Ų20.22%0.0212%0.121CC..Hα-helixtrans-61.5-37.3179.3-70.9-61.6-66.100111.8M107 V108 T327 T330 S339 R344 Q345 C346 Q646M107-M342 HydrophobicContact CB-CE 4.47Å; V108-M342 HydrophobicContact CG2-CE 4.14Å; V108-M342 HydrophobicContact CG2-SD 3.89Å; T327-M342 WeakPolarHBondContact O-CB 3.42Å; T330-M342 HydrophobicContact CG2-CG 3.69Å; T330-M342 HydrophobicContact CG2-SD 4.05Å; S339-M342 PolarHBondContact O-N 3.33Å; M342-R344 VanDerWaalsContact C-N 3.31Å; M342-R344 PolarHBondContact O-N 3.21Å; M342-Q345 PolarHBondContact O-N 3.12Å; M342-C346 VanDerWaalsContact O-CB 3.28Å; M342-C346 WeakPolarHBondContact O-CB 3.32Å; M342-C346 PolarHBondContact O-N 3.04Å; M342-C346 PolarHBondContact O-SG 3.22Å; M342-Q646 HydrophobicContact CE-CB 4.26Å
343Y98.4Very high95.1Very high0 Ų019.2 Ų19.20%011%0.111CC..Hα-helixtrans-59.3-41.7173.5-66.6-91000111.9T327 E341 L347 L354 E355 L356 I380 V385 I389T327-Y343 HydrophobicContact CG2-CD1 3.56Å; T327-Y343 HydrophobicContact CG2-CE1 3.74Å; T327-Y343 HydrophobicContact CG2-CG 4.01Å; E341-Y343 VanDerWaalsContact C-N 3.27Å; E341-Y343 PolarHBondContact O-N 3.45Å; Y343-L347 WeakPolarHBondContact O-CB 3.48Å; Y343-L347 WeakPolarHBondContact O-CD1 3.4Å; Y343-L347 VanDerWaalsContact O-CG 3.23Å; Y343-L347 WeakPolarHBondContact O-CG 3.17Å; Y343-L347 PolarHBondContact O-N 2.98Å; Y343-L354 HydrophobicContact CD1-CB 4.45Å; Y343-L354 HydrophobicContact CD1-CD1 4.1Å; Y343-E355 VanDerWaalsContact CE1-O 3.28Å; Y343-E355 WeakPolarHBondContact CE1-O 3.35Å; Y343-E355 PolarHBondContact OH-O 2.81Å; Y343-L356 HydrophobicContact CE1-CD1 4.12Å; Y343-L356 HydrophobicContact CE1-CG 3.92Å; Y343-I380 HydrophobicContact CE2-CD1 4.45Å; Y343-V385 HydrophobicContact CD1-CG1 3.9Å; Y343-V385 HydrophobicContact CD2-CB 4.43Å; Y343-V385 HydrophobicContact CD2-CG1 3.77Å; Y343-V385 HydrophobicContact CD2-CG2 4Å; Y343-V385 HydrophobicContact CE1-CG1 3.67Å; Y343-V385 HydrophobicContact CE2-CB 4.2Å; Y343-V385 HydrophobicContact CE2-CG1 3.51Å; Y343-V385 HydrophobicContact CE2-CG2 3.6Å; Y343-V385 HydrophobicContact CG-CG1 3.93Å; Y343-V385 VanDerWaalsContact CZ-CG1 3.45Å; Y343-I389 HydrophobicContact CD1-CD1 3.82Å; Y343-I389 HydrophobicContact CD1-CG1 3.97Å; Y343-I389 HydrophobicContact CE1-CD1 4.28Å; Y343-I389 HydrophobicContact CG-CD1 4.47Å; Y343-I389 HydrophobicContact CG-CG1 4.26Å
344R98.4Very high95.7Very high39 Ų3918.6 Ų18.615%0.14711%0.108CC..Hα-helixtrans-61.2-53.1175-56.1-167.5170.476.57.9110.9E341 M342 C346 L347 L348 A388 E391 S392E341-R344 WeakPolarHBondContact O-CB 3.23Å; E341-R344 PolarHBondContact O-N 2.98Å; E341-R344 WeakPolarHBondContact OE2-CD 3.34Å; E341-R344 IonicContact OE2-NH1 3.02Å; E341-R344 PolarHBondContact OE2-NH1 3.34Å; M342-R344 VanDerWaalsContact C-N 3.31Å; M342-R344 PolarHBondContact O-N 3.21Å; R344-C346 PolarHBondContact O-N 2.98Å; R344-L347 PolarHBondContact O-N 3.21Å; R344-L348 HydrophobicContact CB-CD1 4.29Å; R344-L348 VanDerWaalsContact O-CB 3.32Å; R344-L348 WeakPolarHBondContact O-CB 3.47Å; R344-L348 VanDerWaalsContact O-CD1 3.31Å; R344-L348 WeakPolarHBondContact O-CD1 3.35Å; R344-L348 WeakPolarHBondContact O-CG 3.3Å; R344-L348 PolarHBondContact O-N 3.12Å; R344-A388 HydrophobicContact CG-CB 3.98Å; R344-E391 IonicContact CZ-OE2 2.65Å; R344-E391 VanDerWaalsContact CZ-OE2 3.3Å; R344-E391 IonicContact NE-OE1 3.74Å; R344-E391 IonicContact NE-OE2 3.74Å; R344-E391 PolarHBondContact NE-OE2 3.31Å; R344-E391 IonicContact NH2-OE2 3.44Å; R344-E391 PolarHBondContact NH2-OE2 2.89Å; R344-S392 WeakPolarHBondContact CB-OG 3.15Å; R344-S392 WeakPolarHBondContact CG-OG 3.19Å
345Q97.9Very high96.3Very high3 Ų314.9 Ų14.91%0.0149%0.092CC..Hα-helixtrans-62.1-42.6-176.8-62.1-60.1-36.400112.4R65 M107 L110 E341 M342 L348 S349R65-Q345 VanDerWaalsContact CB-OE1 3.3Å; M107-Q345 HydrophobicContact CB-CB 3.81Å; M107-Q345 HydrophobicContact CB-CG 4.39Å; M107-Q345 HydrophobicContact CG-CB 4.06Å; M107-Q345 HydrophobicContact SD-CB 4.08Å; L110-Q345 HydrophobicContact CD1-CG 3.84Å; L110-Q345 HydrophobicContact CD2-CG 4.42Å; E341-Q345 HydrophobicContact CG-CG 4.35Å; E341-Q345 WeakPolarHBondContact O-CG 3.38Å; E341-Q345 PolarHBondContact O-N 3.45Å; E341-Q345 PolarHBondContact OE1-NE2 3.02Å; M342-Q345 PolarHBondContact O-N 3.12Å; Q345-L348 PolarHBondContact O-N 3.03Å; Q345-S349 WeakPolarHBondContact O-CB 3.2Å; Q345-S349 PolarHBondContact O-N 3.18Å
346C97.6Very high96.8Very high0 Ų010.8 Ų10.80%06%0.063CC..Hα-helixtrans-57.5-52.1172.7-73.60000111.2T327 M342 R344 L348 S349 C351 L354 Y645T327-C346 HydrophobicContact CG2-CB 4.2Å; M342-C346 VanDerWaalsContact O-CB 3.28Å; M342-C346 WeakPolarHBondContact O-CB 3.32Å; M342-C346 PolarHBondContact O-N 3.04Å; M342-C346 PolarHBondContact O-SG 3.22Å; R344-C346 PolarHBondContact O-N 2.98Å; C346-L348 PolarHBondContact O-N 3.06Å; C346-S349 WeakPolarHBondContact O-CB 3.44Å; C346-S349 PolarHBondContact O-N 2.83Å; C346-S349 PolarHBondContact O-OG 3.3Å; C346-C351 HydrophobicContact CB-CB 4.11Å; C346-C351 WeakPolarHBondContact O-CB 3.34Å; C346-C351 PolarHBondContact O-N 3.1Å; C346-L354 HydrophobicContact CB-CD2 4.03Å; C346-Y645 HydrophobicContact CB-CD1 4.28Å; C346-Y645 WeakPolarHBondContact SG-CD1 3.15Å
347L98.3Very high97.3Very high0 Ų010.7 Ų10.70%06%0.062CC..Hα-helixtrans-60.6-45.7178.8-76166.8000112.7Y343 R344 S349 G350 R352 L354 I389 A393 T396 V401Y343-L347 WeakPolarHBondContact O-CB 3.48Å; Y343-L347 WeakPolarHBondContact O-CD1 3.4Å; Y343-L347 VanDerWaalsContact O-CG 3.23Å; Y343-L347 WeakPolarHBondContact O-CG 3.17Å; Y343-L347 PolarHBondContact O-N 2.98Å; R344-L347 PolarHBondContact O-N 3.21Å; L347-S349 VanDerWaalsContact C-N 3.28Å; L347-S349 PolarHBondContact O-N 2.69Å; L347-G350 WeakPolarHBondContact O-CA 2.98Å; L347-G350 PolarHBondContact O-N 2.78Å; L347-R352 PolarHBondContact O-NH2 3.36Å; L347-L354 HydrophobicContact CD1-CD1 3.9Å; L347-L354 HydrophobicContact CD2-CD1 3.76Å; L347-L354 HydrophobicContact CD2-CD2 4.43Å; L347-L354 HydrophobicContact CD2-CG 4.43Å; L347-L354 HydrophobicContact CG-CD1 3.74Å; L347-L354 HydrophobicContact CG-CD2 4.46Å; L347-I389 HydrophobicContact CD1-CB 4.24Å; L347-I389 HydrophobicContact CD1-CG1 4.21Å; L347-I389 HydrophobicContact CD1-CG2 4.14Å; L347-A393 HydrophobicContact CD1-CB 4.46Å; L347-T396 PolarHBondContact O-OG1 3.16Å; L347-V401 HydrophobicContact CD2-CG1 4.08Å; L347-V401 HydrophobicContact CD2-CG2 3.92Å
348L97Very high97.3Very high1 Ų16.9 Ų6.91%0.0054%0.039CC..Hα-helixtrans-59.5-37.3176.2-73.6160.4000111.8D66 Y135 R344 Q345 C346 G350 K395 T396D66-L348 HydrophobicContact CB-CD1 3.66Å; Y135-L348 VanDerWaalsContact CE1-O 3.23Å; Y135-L348 WeakPolarHBondContact CE1-O 3.36Å; R344-L348 HydrophobicContact CB-CD1 4.29Å; R344-L348 VanDerWaalsContact O-CB 3.32Å; R344-L348 WeakPolarHBondContact O-CB 3.47Å; R344-L348 VanDerWaalsContact O-CD1 3.31Å; R344-L348 WeakPolarHBondContact O-CD1 3.35Å; R344-L348 WeakPolarHBondContact O-CG 3.3Å; R344-L348 PolarHBondContact O-N 3.12Å; Q345-L348 PolarHBondContact O-N 3.03Å; C346-L348 PolarHBondContact O-N 3.06Å; L348-G350 PolarHBondContact O-N 3.35Å; L348-G350 VanDerWaalsContact O-N 3.07Å; L348-K395 HydrophobicContact CD2-CB 4.03Å; L348-K395 HydrophobicContact CD2-CD 3.71Å; L348-T396 HydrophobicContact CD2-CG2 4.06Å; L348-T396 WeakPolarHBondContact O-CG2 3.06Å; L348-T396 PolarHBondContact O-OG1 3.43Å
349S95.1Very high97.1Very high18 Ų188.3 Ų8.313%0.1264%0.044CC..THydrogen-bonded Turntrans-68.2117386.60000114.5M107 K322 Q345 C346 L347M107-S349 VanDerWaalsContact CE-CB 3.45Å; K322-S349 PolarHBondContact NZ-O 3.11Å; Q345-S349 WeakPolarHBondContact O-CB 3.2Å; Q345-S349 PolarHBondContact O-N 3.18Å; C346-S349 WeakPolarHBondContact O-CB 3.44Å; C346-S349 PolarHBondContact O-N 2.83Å; C346-S349 PolarHBondContact O-OG 3.3Å; L347-S349 VanDerWaalsContact C-N 3.28Å; L347-S349 PolarHBondContact O-N 2.69Å
350G96.2Very high96.9Very high2 Ų212.2 Ų12.22%0.0216%0.057CC..THydrogen-bonded Turntrans83.315.1-174.900000113.9L347 L348 G666L347-G350 WeakPolarHBondContact O-CA 2.98Å; L347-G350 PolarHBondContact O-N 2.78Å; L348-G350 PolarHBondContact O-N 3.35Å; L348-G350 VanDerWaalsContact O-N 3.07Å; G350-G666 WeakPolarHBondContact O-CA 3.44Å
351C98.3Very high96.4Very high0 Ų011.5 Ų11.50%05%0.054CC..  trans-66.6138.9173.9-164.70000110.1K322 C346 C353 L354 Y645K322-C351 HydrophobicContact CG-CB 4.37Å; K322-C351 PolarHBondContact O-SG 2.72Å; C346-C351 HydrophobicContact CB-CB 4.11Å; C346-C351 WeakPolarHBondContact O-CB 3.34Å; C346-C351 PolarHBondContact O-N 3.1Å; C351-C353 PolarHBondContact SG-O 2.73Å; C351-C353 VanDerWaalsContact SG-O 3.35Å; C351-L354 HydrophobicContact CB-CD2 4.17Å; C351-Y645 HydrophobicContact CB-CE1 4.02Å
352R98.5Very high95.7Very high0 Ų016.7 Ų16.70%08%0.076CC..  trans-125-6.3-173.1-61.8-67.786.8179.35113.5I321 K322 L347 A393 S397 Y399 P400 V401 V402 Y667I321-R352 HydrophobicContact CG2-CB 3.84Å; K322-R352 PolarHBondContact O-N 2.91Å; L347-R352 PolarHBondContact O-NH2 3.36Å; R352-A393 VanDerWaalsContact CZ-O 3.28Å; R352-A393 PolarHBondContact NH1-O 3.27Å; R352-A393 PolarHBondContact NH2-O 3.28Å; R352-S397 PolarHBondContact NH1-O 3.29Å; R352-Y399 PolarHBondContact NH1-O 2.95Å; R352-P400 WeakPolarHBondContact CD-O 3.46Å; R352-V401 CarbonylContact O-C 3.52Å; R352-V401 WeakPolarHBondContact O-CA 3.29Å; R352-V402 PolarHBondContact O-N 2.96Å; R352-Y667 HydrophobicContact CB-CD2 4.48Å; R352-Y667 HydrophobicContact CB-CE2 3.83Å; R352-Y667 HydrophobicContact CG-CD2 3.87Å; R352-Y667 HydrophobicContact CG-CE2 3.58Å
353C98.5Very high94.8Very high1 Ų122 Ų221%0.00711%0.111CC..EExtended strand (participates in β ladder)trans-130.3123.1169.3-171.70000109.8I321 K322 S323 S324 C351 V402 M640I321-C353 HydrophobicContact CG2-CB 4.5Å; K322-C353 PolarHBondContact O-N 3.21Å; K322-C353 VanDerWaalsContact O-N 3.11Å; S323-C353 CarbonylContact C-O 3.49Å; S323-C353 WeakPolarHBondContact CA-O 3.19Å; S323-C353 WeakPolarHBondContact OG-CB 3.37Å; S324-C353 PolarHBondContact N-O 3.48Å; C351-C353 PolarHBondContact SG-O 2.73Å; C351-C353 VanDerWaalsContact SG-O 3.35Å; C353-V402 VanDerWaalsContact CA-O 3.3Å; C353-V402 WeakPolarHBondContact CA-O 3.44Å; C353-V402 HydrophobicContact CB-CB 4.37Å; C353-M640 HydrophobicContact CB-CG 4.48Å; C353-M640 HydrophobicContact CB-SD 4.45Å
354L98.5Very high93.6Very high0 Ų027.5 Ų27.50%015%0.147CC..EExtended strand (participates in β ladder)trans-123.2159.1-174.3-47.8176.8000110.7T327 Y343 C346 L347 C351 I389 V401 V402 L403 S404T327-L354 HydrophobicContact CG2-CB 4.31Å; T327-L354 HydrophobicContact CG2-CD2 4.14Å; Y343-L354 HydrophobicContact CD1-CB 4.45Å; Y343-L354 HydrophobicContact CD1-CD1 4.1Å; C346-L354 HydrophobicContact CB-CD2 4.03Å; L347-L354 HydrophobicContact CD1-CD1 3.9Å; L347-L354 HydrophobicContact CD2-CD1 3.76Å; L347-L354 HydrophobicContact CD2-CD2 4.43Å; L347-L354 HydrophobicContact CD2-CG 4.43Å; L347-L354 HydrophobicContact CG-CD1 3.74Å; L347-L354 HydrophobicContact CG-CD2 4.46Å; C351-L354 HydrophobicContact CB-CD2 4.17Å; L354-I389 HydrophobicContact CD1-CD1 4.37Å; L354-I389 HydrophobicContact CD1-CG1 4.16Å; L354-V401 HydrophobicContact CD1-CG1 4.33Å; L354-V401 HydrophobicContact CG-CG1 4.46Å; L354-V402 PolarHBondContact N-O 3.45Å; L354-L403 HydrophobicContact CB-CD2 4.08Å; L354-L403 HydrophobicContact CD1-CD2 3.94Å; L354-L403 HydrophobicContact CG-CD2 4.27Å; L354-S404 WeakPolarHBondContact O-CA 3.45Å; L354-S404 VanDerWaalsContact O-CB 3.26Å; L354-S404 WeakPolarHBondContact O-CB 3.33Å; L354-S404 PolarHBondContact O-N 3.41Å
355E98.3Very high92.4Very high4 Ų431.6 Ų31.62%0.01917%0.171CC..EExtended strand (participates in β ladder)trans-114135.6-178.6-164.9111.2-9300112H325 N326 T327 Y343 D357 S404 R615H325-E355 IonicContact CD2-OE2 4Å; H325-E355 PolarHBondContact CD2-OE2 3.21Å; H325-E355 VanDerWaalsContact CD2-OE2 3.22Å; H325-E355 IonicContact CG-OE2 3.72Å; N326-E355 PolarHBondContact N-OE2 3.07Å; T327-E355 PolarHBondContact OG1-N 3.33Å; Y343-E355 VanDerWaalsContact CE1-O 3.28Å; Y343-E355 WeakPolarHBondContact CE1-O 3.35Å; Y343-E355 PolarHBondContact OH-O 2.81Å; E355-D357 VanDerWaalsContact CG-OD1 3.22Å; E355-D357 WeakPolarHBondContact CG-OD1 3.45Å; E355-S404 CarbonylContact C-O 3.57Å; E355-S404 WeakPolarHBondContact CA-O 3.43Å; E355-S404 VanDerWaalsContact OE1-CB 3.29Å; E355-S404 WeakPolarHBondContact OE1-CB 3.5Å; E355-S404 PolarHBondContact OE1-OG 2.86Å; E355-R615 IonicContact OE1-CZ 3.41Å; E355-R615 IonicContact OE1-NH1 2.68Å; E355-R615 PolarHBondContact OE1-NH1 3.36Å; E355-R615 IonicContact OE1-NH2 3.32Å; E355-R615 PolarHBondContact OE1-NH2 3.22Å; E355-R615 VanDerWaalsContact OE1-NH2 3.16Å; E355-R615 IonicContact OE2-CZ 3.66Å; E355-R615 IonicContact OE2-NH1 2.94Å; E355-R615 PolarHBondContact OE2-NH1 3.05Å; E355-R615 IonicContact OE2-NH2 2.62Å; E355-R615 PolarHBondContact OE2-NH2 3.22Å
356L97.5Very high91.7Very high0 Ų035.1 Ų35.10%019%0.188CC..EExtended strand (participates in β ladder)trans-135.3101.1178.5-6584.5000109.7Y343 C358 I370 F382 V385 I386 I389 L403 S404 F405 E406Y343-L356 HydrophobicContact CE1-CD1 4.12Å; Y343-L356 HydrophobicContact CE1-CG 3.92Å; L356-C358 PolarHBondContact O-N 3.34Å; L356-C358 PolarHBondContact O-SG 2.86Å; L356-I370 HydrophobicContact CB-CD1 4.08Å; L356-I370 HydrophobicContact CD2-CD1 4.03Å; L356-I370 HydrophobicContact CG-CD1 4.2Å; L356-F382 HydrophobicContact CD2-CE2 4.09Å; L356-V385 HydrophobicContact CD2-CG1 3.82Å; L356-V385 HydrophobicContact CG-CG1 4.28Å; L356-I386 HydrophobicContact CD2-CD1 4.01Å; L356-I389 HydrophobicContact CD1-CD1 4.36Å; L356-I389 HydrophobicContact CD2-CD1 4.15Å; L356-L403 HydrophobicContact CD1-CB 4Å; L356-L403 HydrophobicContact CD1-CD2 4.14Å; L356-L403 HydrophobicContact CD1-CG 4.46Å; L356-S404 PolarHBondContact N-O 2.94Å; L356-F405 HydrophobicContact CD1-CD1 4.49Å; L356-F405 HydrophobicContact CD1-CE1 4.38Å; L356-F405 HydrophobicContact CD2-CE1 4.18Å; L356-F405 HydrophobicContact CD2-CZ 4.33Å; L356-F405 WeakPolarHBondContact O-CA 3.13Å; L356-E406 PolarHBondContact O-N 3.01Å
357D95.9Very high91.4Very high0 Ų037.6 Ų37.60%020%0.2CC..EExtended strand (participates in β ladder)trans-89.4100.1-178.6-571.2000108.3N326 Y328 E355 W359 I370 T371 E406N326-D357 PolarHBondContact OD1-OD2 2.87Å; Y328-D357 HydrophobicContact CE1-CB 3.88Å; Y328-D357 VanDerWaalsContact CE1-CG 3.48Å; Y328-D357 VanDerWaalsContact CE1-OD2 3.29Å; Y328-D357 WeakPolarHBondContact CE1-OD2 3.24Å; Y328-D357 VanDerWaalsContact CZ-OD2 3.28Å; Y328-D357 PolarHBondContact OH-OD2 3.46Å; E355-D357 VanDerWaalsContact CG-OD1 3.22Å; E355-D357 WeakPolarHBondContact CG-OD1 3.45Å; D357-W359 VanDerWaalsContact O-CD1 3.28Å; D357-I370 VanDerWaalsContact O-CA 3.26Å; D357-I370 WeakPolarHBondContact O-CA 3.27Å; D357-T371 WeakPolarHBondContact CB-O 3.23Å; D357-T371 PolarHBondContact O-N 2.84Å; D357-E406 CarbonylContact C-O 3.49Å; D357-E406 HydrophobicContact CB-CB 4.48Å
358C95.2Very high91.2Very high0 Ų037.6 Ų37.60%020%0.2CC..EExtended strand (participates in β ladder)trans-96.2116.3-164.4-58.50000110.5L356 E406 H408 V409 M418L356-C358 PolarHBondContact O-N 3.34Å; L356-C358 PolarHBondContact O-SG 2.86Å; C358-E406 PolarHBondContact N-O 2.89Å; C358-H408 CarbonylContact O-C 3.59Å; C358-H408 WeakPolarHBondContact O-CA 3.42Å; C358-H408 WeakPolarHBondContact O-CB 3.5Å; C358-H408 PolarHBondContact O-N 2.93Å; C358-V409 HydrophobicContact CB-CG2 4.05Å; C358-V409 WeakPolarHBondContact O-CG2 3.47Å; C358-V409 PolarHBondContact O-N 2.9Å; C358-M418 HydrophobicContact CB-CE 3.52Å; C358-M418 HydrophobicContact CB-SD 4.35Å; C358-M418 VanDerWaalsContact SG-CE 3.58Å
359W92.8Very high91.1Very high35 Ų3538.4 Ų38.413%0.13320%0.204CC..EExtended strand (participates in β ladder)trans-116.8155.4-177.9-6484.3000112D357 G361 I369 T371 F374 H408 T548D357-W359 VanDerWaalsContact O-CD1 3.28Å; W359-G361 PolarHBondContact O-N 2.77Å; W359-I369 HydrophobicContact CB-CD1 4.36Å; W359-I369 HydrophobicContact CB-CG1 4.05Å; W359-I369 PolarHBondContact N-O 3.41Å; W359-I369 WeakPolarHBondContact O-CG1 3.48Å; W359-I369 PolarHBondContact O-N 3.36Å; W359-I369 VanDerWaalsContact O-N 3.08Å; W359-T371 HydrophobicContact CG-CG2 4.18Å; W359-T371 PolarHBondContact NE1-O 3.22Å; W359-F374 HydrophobicContact CH2-CD2 4.15Å; W359-F374 AromaticContact CH2-CE2 3.66Å; W359-F374 HydrophobicContact CH2-CE2 3.66Å; W359-F374 AromaticContact CZ3-CE2 3.81Å; W359-F374 HydrophobicContact CZ3-CE2 3.81Å; W359-F374 HydrophobicContact CZ3-CZ 4.35Å; W359-H408 HydrophobicContact CD2-CB 3.71Å; W359-H408 AromaticContact CD2-CD2 3.99Å; W359-H408 AromaticContact CE2-CD2 3.35Å; W359-H408 AromaticContact CE2-CG 3.84Å; W359-H408 HydrophobicContact CE3-CB 3.53Å; W359-H408 HydrophobicContact CG-CB 4.35Å; W359-H408 HydrophobicContact CH2-CB 3.96Å; W359-H408 AromaticContact CH2-CD2 3.57Å; W359-H408 AromaticContact CH2-CG 3.52Å; W359-H408 AromaticContact CH2-ND1 3.89Å; W359-H408 AromaticContact CH2-NE2 3.88Å; W359-H408 HydrophobicContact CZ2-CB 4.14Å; W359-H408 AromaticContact CZ2-CD2 3.11Å; W359-H408 WeakPolarHBondContact CZ2-CD2 2.91Å; W359-H408 AromaticContact CZ2-CG 3.57Å; W359-H408 AromaticContact CZ2-NE2 3.51Å; W359-H408 HydrophobicContact CZ3-CB 3.67Å; W359-H408 AromaticContact CZ3-CG 3.78Å; W359-H408 AromaticContact NE1-CD2 3.84Å; W359-T548 HydrophobicContact CH2-CG2 4.3Å; W359-T548 HydrophobicContact CZ2-CG2 4.03Å
360K90.9Very high91.1Very high110 Ų11037.5 Ų37.548%0.47820%0.198SC..PPolyproline II helixtrans-65.5129.9-179.165.8-161.3-175.4-165.90111.9D410K360-D410 WeakPolarHBondContact CD-OD1 3.04Å; K360-D410 WeakPolarHBondContact CD-OD2 3.26Å; K360-D410 WeakPolarHBondContact CE-OD2 3.22Å; K360-D410 IonicContact NZ-OD2 2.65Å; K360-D410 PolarHBondContact NZ-OD2 3.26Å
361G87Confident91Very high9 Ų938 Ų389%0.09320%0.2CC..PPolyproline II helixtrans-64.1135.4175.200000112W359 E367 Q414W359-G361 PolarHBondContact O-N 2.77Å; G361-E367 WeakPolarHBondContact CA-O 3.34Å; G361-Q414 PolarHBondContact O-NE2 3.47Å
362K81.6Confident90.6Very high125 Ų12539.5 Ų39.554%0.54321%0.207SC..PPolyproline II helixtrans-70.3143.7175.5-66.1165.3-170.8155.80110.3E379K362-E379 IonicContact NZ-OE1 3.63Å; K362-E379 PolarHBondContact NZ-OE1 3.07Å; K362-E379 IonicContact NZ-OE2 3.66Å; K362-E379 PolarHBondContact NZ-OE2 3.16Å
363P78.2Confident89.9Confident116 Ų11639.8 Ų39.875%0.75321%0.21SC*.THydrogen-bonded Turntrans-59147.7168.6-23.134.3000111.4
364P74Confident89.2Confident115 Ų11544 Ų4475%0.74723%0.229SC*.THydrogen-bonded Turncis-90.5-1511.635.3-36.2000115.8E366P364-E366 PolarHBondContact O-N 3.3Å
365D73.1Confident88.7Confident124 Ų12445.8 Ų45.866%0.66324%0.24SC*.THydrogen-bonded Turntrans-78.9-19.6-163.2-59-49.3000114.6E367D365-E367 PolarHBondContact O-N 3.38Å; D365-E367 VanDerWaalsContact O-N 3.09Å
366E84.1Confident88.2Confident78 Ų7852.3 Ų52.336%0.36427%0.272SS..  trans50.729.1-178.6-62.4-168.5175.400114.5P364 Q414 K417P364-E366 PolarHBondContact O-N 3.3Å; E366-Q414 WeakPolarHBondContact O-CG 3.42Å; E366-Q414 PolarHBondContact O-NE2 3.49Å; E366-K417 PolarHBondContact O-NZ 3.19Å
367E91.1Very high87.8Confident51 Ų5152.8 Ų52.824%0.23828%0.275CS..  trans-89.9128.7177.9-77.7-56.6131.600112G361 D365 L381 K417 Y421G361-E367 WeakPolarHBondContact CA-O 3.34Å; D365-E367 PolarHBondContact O-N 3.38Å; D365-E367 VanDerWaalsContact O-N 3.09Å; E367-L381 HydrophobicContact CB-CD2 4.3Å; E367-K417 WeakPolarHBondContact OE1-CE 3.33Å; E367-K417 IonicContact OE1-NZ 3.82Å; E367-K417 PolarHBondContact OE1-NZ 3.44Å; E367-Y421 WeakPolarHBondContact OE2-CE2 3.12Å; E367-Y421 PolarHBondContact OE2-OH 3.15Å
368P93.3Very high87.7Confident0 Ų055.7 Ų55.70%029%0.293CS..  trans-62.5137.6179.124.9-33000111.7F382 K417 M418P368-F382 HydrophobicContact CB-CB 4.1Å; P368-F382 HydrophobicContact CG-CB 4.1Å; P368-F382 HydrophobicContact CG-CD1 4.42Å; P368-F382 HydrophobicContact CG-CG 4.45Å; P368-F382 WeakPolarHBondContact O-CB 3.39Å; P368-F382 PolarHBondContact O-N 3.21Å; P368-K417 HydrophobicContact CG-CB 4.46Å; P368-M418 HydrophobicContact CB-CG 3.84Å; P368-M418 HydrophobicContact CB-SD 4.16Å; P368-M418 HydrophobicContact CG-CG 3.77Å
369I95Very high87.7Confident18 Ų1860.2 Ų60.29%0.09231%0.314CS..EExtended strand (participates in β ladder)trans-117.7162.9-175.954165.8000111.6W359 E379 I380 L381W359-I369 HydrophobicContact CB-CD1 4.36Å; W359-I369 HydrophobicContact CB-CG1 4.05Å; W359-I369 PolarHBondContact N-O 3.41Å; W359-I369 WeakPolarHBondContact O-CG1 3.48Å; W359-I369 PolarHBondContact O-N 3.36Å; W359-I369 VanDerWaalsContact O-N 3.08Å; I369-E379 HydrophobicContact CD1-CB 4.27Å; I369-E379 HydrophobicContact CD1-CG 3.91Å; I369-I380 CarbonylContact C-O 3.59Å; I369-I380 VanDerWaalsContact CA-O 3.31Å; I369-I380 WeakPolarHBondContact CA-O 3.32Å; I369-L381 HydrophobicContact CG2-CD2 4.38Å
370I96.1Very high87.8Confident0 Ų059.5 Ų59.50%031%0.313CS..EExtended strand (participates in β ladder)trans-119.5131169.5-66.5165.6000109.2Y328 L356 D357 I380 F382 V385Y328-I370 HydrophobicContact CD1-CG2 3.58Å; Y328-I370 HydrophobicContact CD2-CG2 4.25Å; Y328-I370 HydrophobicContact CE1-CG2 4.18Å; Y328-I370 HydrophobicContact CG-CG2 3.65Å; L356-I370 HydrophobicContact CB-CD1 4.08Å; L356-I370 HydrophobicContact CD2-CD1 4.03Å; L356-I370 HydrophobicContact CG-CD1 4.2Å; D357-I370 VanDerWaalsContact O-CA 3.26Å; D357-I370 WeakPolarHBondContact O-CA 3.27Å; I370-I380 HydrophobicContact CB-CG1 3.98Å; I370-I380 HydrophobicContact CG2-CG1 4.4Å; I370-I380 PolarHBondContact N-O 2.82Å; I370-I380 PolarHBondContact O-N 3.32Å; I370-F382 HydrophobicContact CD1-CB 4.45Å; I370-F382 HydrophobicContact CD1-CD2 3.93Å; I370-F382 HydrophobicContact CG1-CB 4.48Å; I370-F382 HydrophobicContact CG1-CD2 4.24Å; I370-V385 HydrophobicContact CD1-CB 3.88Å; I370-V385 HydrophobicContact CD1-CG1 3.85Å; I370-V385 HydrophobicContact CD1-CG2 3.88Å
371T94.1Very high88.1Confident11 Ų1157.9 Ų57.97%0.06731%0.309CS..  trans-166.5168.4175.7-168.80000109.9D357 W359 C377 T378 E379D357-T371 WeakPolarHBondContact CB-O 3.23Å; D357-T371 PolarHBondContact O-N 2.84Å; W359-T371 HydrophobicContact CG-CG2 4.18Å; W359-T371 PolarHBondContact NE1-O 3.22Å; T371-C377 PolarHBondContact OG1-O 2.78Å; T371-T378 PolarHBondContact OG1-O 3.19Å; T371-E379 HydrophobicContact CG2-CG 4.02Å
372H88.9Confident88.5Confident32 Ų3257.5 Ų57.515%0.14830%0.304CS..  trans-87.8113.6169.4-169.5-149.1000109.3Y328 Q333 T375 C377Y328-H372 HydrophobicContact CE2-CB 4.05Å; Y328-H372 WeakPolarHBondContact OH-CA 3.28Å; Y328-H372 VanDerWaalsContact OH-CB 3.3Å; Y328-H372 WeakPolarHBondContact OH-CB 3.41Å; Q333-H372 PolarHBondContact O-ND1 2.68Å; H372-T375 HydrophobicContact CB-CG2 4.33Å; H372-T375 WeakPolarHBondContact ND1-CG2 3.42Å; H372-T375 PolarHBondContact O-OG1 2.74Å; H372-C377 HydrophobicContact CB-CB 4.38Å
373G84.8Confident89.2Confident7 Ų755 Ų557%0.07229%0.294CS..THydrogen-bonded Turntrans-58.7146.9-170.500000114.4T375G373-T375 WeakPolarHBondContact O-CG2 3.4Å; G373-T375 PolarHBondContact O-N 3.11Å
374F82.4Confident90Very high90 Ų9052.8 Ų52.840%0.39528%0.275SS..THydrogen-bonded Turntrans57.619177.3-49.7-86.8000115.3W359 E538 M541W359-F374 HydrophobicContact CH2-CD2 4.15Å; W359-F374 AromaticContact CH2-CE2 3.66Å; W359-F374 HydrophobicContact CH2-CE2 3.66Å; W359-F374 AromaticContact CZ3-CE2 3.81Å; W359-F374 HydrophobicContact CZ3-CE2 3.81Å; W359-F374 HydrophobicContact CZ3-CZ 4.35Å; F374-E538 VanDerWaalsContact CD1-CD 3.49Å; F374-E538 HydrophobicContact CD1-CG 4.07Å; F374-E538 HydrophobicContact CE1-CG 3.87Å; F374-E538 VanDerWaalsContact CE1-OE1 3.28Å; F374-E538 WeakPolarHBondContact CE1-OE1 3.32Å; F374-M541 HydrophobicContact CD2-CE 4.03Å; F374-M541 HydrophobicContact CD2-SD 3.55Å; F374-M541 VanDerWaalsContact CD2-SD 3.55Å; F374-M541 HydrophobicContact CE2-CE 3.54Å; F374-M541 HydrophobicContact CE2-SD 3.45Å; F374-M541 WeakPolarHBondContact CE2-SD 3.29Å; F374-M541 HydrophobicContact CG-SD 4.29Å; F374-M541 HydrophobicContact CZ-CE 4.38Å; F374-M541 HydrophobicContact CZ-SD 4.11Å
375T87.7Confident91.1Very high37 Ų3747.3 Ų47.323%0.22724%0.24CC..SBendtrans-111.4-174.9175.876.10000112.5F334 H372 G373 C377F334-T375 HydrophobicContact CD2-CG2 4.27Å; F334-T375 WeakPolarHBondContact O-CB 3.43Å; H372-T375 HydrophobicContact CB-CG2 4.33Å; H372-T375 WeakPolarHBondContact ND1-CG2 3.42Å; H372-T375 PolarHBondContact O-OG1 2.74Å; G373-T375 WeakPolarHBondContact O-CG2 3.4Å; G373-T375 PolarHBondContact O-N 3.11Å; T375-C377 WeakPolarHBondContact OG1-CB 3.44Å; T375-C377 PolarHBondContact OG1-N 2.85Å; T375-C377 PolarHBondContact OG1-SG 2.94Å
376M87.7Confident92.3Very high141 Ų14141.4 Ų41.470%0.69521%0.208SC*.SBendtrans-99.117.9172-56.9-173.5-179.100112.8F334F334-M376 HydrophobicContact CE1-CE 4.17Å; F334-M376 HydrophobicContact CE1-CG 3.97Å; F334-M376 HydrophobicContact CE1-SD 3.98Å; F334-M376 HydrophobicContact CZ-CE 4.26Å; F334-M376 HydrophobicContact CZ-CG 4.22Å; F334-M376 CarbonylContact O-C 3.53Å; F334-M376 WeakPolarHBondContact O-CA 3.46Å; F334-M376 WeakPolarHBondContact O-CB 3.47Å; F334-M376 PolarHBondContact O-N 3.08Å
377C91.1Very high92.9Very high10 Ų1040.6 Ų40.67%0.06820%0.204CC..PPolyproline II helixtrans-69151.1176-62.40000111.9L329 Q333 G336 T371 H372 T375L329-C377 HydrophobicContact CD2-CB 4.16Å; Q333-C377 PolarHBondContact O-SG 3.46Å; G336-C377 PolarHBondContact N-SG 3.48Å; G336-C377 VanDerWaalsContact N-SG 3.4Å; G336-C377 VanDerWaalsContact O-CA 3.24Å; G336-C377 WeakPolarHBondContact O-CA 3.23Å; G336-C377 WeakPolarHBondContact O-CB 3.17Å; T371-C377 PolarHBondContact OG1-O 2.78Å; H372-C377 HydrophobicContact CB-CB 4.38Å; T375-C377 WeakPolarHBondContact OG1-CB 3.44Å; T375-C377 PolarHBondContact OG1-N 2.85Å; T375-C377 PolarHBondContact OG1-SG 2.94Å
378T93.6Very high93.2Very high61 Ų6138.1 Ų38.137%0.37419%0.193SC..PPolyproline II helixtrans-75.1152.1-179.467.30000112G336 V337 S338 T371G336-T378 PolarHBondContact O-N 3.03Å; V337-T378 HydrophobicContact CG2-CG2 4.45Å; S338-T378 WeakPolarHBondContact CB-O 3.44Å; S338-T378 PolarHBondContact N-OG1 3.1Å; S338-T378 PolarHBondContact OG-O 3.08Å; T371-T378 PolarHBondContact OG1-O 3.19Å
379E93.9Very high93.4Very high94 Ų9438.1 Ų38.144%0.43919%0.193SC..PPolyproline II helixtrans-94.5141.1179.5-67.1164-172.800110.7K362 I369 T371K362-E379 IonicContact NZ-OE1 3.63Å; K362-E379 PolarHBondContact NZ-OE1 3.07Å; K362-E379 IonicContact NZ-OE2 3.66Å; K362-E379 PolarHBondContact NZ-OE2 3.16Å; I369-E379 HydrophobicContact CD1-CB 4.27Å; I369-E379 HydrophobicContact CD1-CG 3.91Å; T371-E379 HydrophobicContact CG2-CG 4.02Å
380I96Very high93.5Very high21 Ų2139 Ų3911%0.10820%0.202CC..EExtended strand (participates in β ladder)trans-130.6152174.761.3177.2000110.6S338 P340 Y343 I369 I370 V385S338-I380 VanDerWaalsContact O-CG2 3.27Å; S338-I380 WeakPolarHBondContact O-CG2 3.46Å; P340-I380 HydrophobicContact CG-CD1 4.2Å; Y343-I380 HydrophobicContact CE2-CD1 4.45Å; I369-I380 CarbonylContact C-O 3.59Å; I369-I380 VanDerWaalsContact CA-O 3.31Å; I369-I380 WeakPolarHBondContact CA-O 3.32Å; I370-I380 HydrophobicContact CB-CG1 3.98Å; I370-I380 HydrophobicContact CG2-CG1 4.4Å; I370-I380 PolarHBondContact N-O 2.82Å; I370-I380 PolarHBondContact O-N 3.32Å; I380-V385 HydrophobicContact CD1-CG2 3.53Å; I380-V385 HydrophobicContact CG1-CG2 4.19Å
381L96Very high93.5Very high76 Ų7639.9 Ų39.940%0.39821%0.207SC..EExtended strand (participates in β ladder)trans-70.6134.3179.9-61.9177.8000111E367 I369 K383 D384 V385E367-L381 HydrophobicContact CB-CD2 4.3Å; I369-L381 HydrophobicContact CG2-CD2 4.38Å; L381-K383 PolarHBondContact O-N 3.5Å; L381-D384 HydrophobicContact CB-CB 4.33Å; L381-D384 PolarHBondContact O-N 2.89Å; L381-V385 PolarHBondContact O-N 2.95Å
382F96.3Very high93.6Very high0 Ų039.4 Ų39.40%020%0.204CC..Hα-helixtrans-56.7-41.1173.8174.6-90.9000111.3L356 P368 I370 D384 V385 I386 F405 M418 Y421L356-F382 HydrophobicContact CD2-CE2 4.09Å; P368-F382 HydrophobicContact CB-CB 4.1Å; P368-F382 HydrophobicContact CG-CB 4.1Å; P368-F382 HydrophobicContact CG-CD1 4.42Å; P368-F382 HydrophobicContact CG-CG 4.45Å; P368-F382 WeakPolarHBondContact O-CB 3.39Å; P368-F382 PolarHBondContact O-N 3.21Å; I370-F382 HydrophobicContact CD1-CB 4.45Å; I370-F382 HydrophobicContact CD1-CD2 3.93Å; I370-F382 HydrophobicContact CG1-CB 4.48Å; I370-F382 HydrophobicContact CG1-CD2 4.24Å; F382-D384 PolarHBondContact O-N 3.28Å; F382-V385 WeakPolarHBondContact O-CB 3.29Å; F382-V385 PolarHBondContact O-N 3Å; F382-I386 HydrophobicContact CD1-CG1 3.93Å; F382-I386 HydrophobicContact CE1-CD1 4.04Å; F382-I386 HydrophobicContact CE1-CG1 3.47Å; F382-I386 VanDerWaalsContact CE1-CG1 3.47Å; F382-I386 HydrophobicContact CE2-CD1 4.22Å; F382-I386 HydrophobicContact CE2-CG1 4.32Å; F382-I386 HydrophobicContact CZ-CD1 3.71Å; F382-I386 HydrophobicContact CZ-CG1 3.69Å; F382-I386 WeakPolarHBondContact O-CG1 3.4Å; F382-I386 PolarHBondContact O-N 2.89Å; F382-F405 HydrophobicContact CE2-CD2 4.35Å; F382-F405 AromaticContact CE2-CE2 3.46Å; F382-F405 HydrophobicContact CE2-CE2 3.46Å; F382-F405 VanDerWaalsContact CE2-CE2 3.46Å; F382-F405 AromaticContact CE2-CZ 3.74Å; F382-F405 HydrophobicContact CE2-CZ 3.74Å; F382-F405 AromaticContact CZ-CE2 3.55Å; F382-F405 HydrophobicContact CZ-CE2 3.55Å; F382-F405 AromaticContact CZ-CZ 3.68Å; F382-F405 HydrophobicContact CZ-CZ 3.68Å; F382-M418 HydrophobicContact CD1-CB 4.42Å; F382-M418 HydrophobicContact CD1-CG 4.02Å; F382-M418 HydrophobicContact CD2-CE 4.34Å; F382-M418 HydrophobicContact CD2-CG 4.39Å; F382-M418 HydrophobicContact CE1-CB 3.82Å; F382-M418 HydrophobicContact CE1-CG 3.89Å; F382-M418 HydrophobicContact CE2-CE 3.89Å; F382-M418 HydrophobicContact CE2-CG 4.29Å; F382-M418 HydrophobicContact CG-CG 4.28Å; F382-M418 HydrophobicContact CZ-CB 3.92Å; F382-M418 HydrophobicContact CZ-CE 4.24Å; F382-M418 HydrophobicContact CZ-CG 4.03Å; F382-Y421 HydrophobicContact CD1-CD2 4.05Å; F382-Y421 HydrophobicContact CE1-CD2 4.41Å
383K95.7Very high94Very high74 Ų7437.9 Ų37.932%0.32220%0.197SC..Hα-helixtrans-55.6-49.6178.3-171.4-167.4174.7-142.10112.4L381 V385 I386 E387 Y421 L425L381-K383 PolarHBondContact O-N 3.5Å; K383-V385 VanDerWaalsContact C-N 3.25Å; K383-V385 PolarHBondContact O-N 2.73Å; K383-I386 PolarHBondContact O-N 3.01Å; K383-I386 VanDerWaalsContact O-N 3.12Å; K383-E387 WeakPolarHBondContact CE-OE1 3.46Å; K383-E387 IonicContact NZ-OE1 2.99Å; K383-E387 PolarHBondContact NZ-OE1 2.96Å; K383-E387 PolarHBondContact O-N 3.29Å; K383-Y421 HydrophobicContact CB-CD2 4.27Å; K383-Y421 HydrophobicContact CB-CE2 4.08Å; K383-Y421 HydrophobicContact CD-CD1 4.48Å; K383-Y421 HydrophobicContact CD-CE1 3.9Å; K383-Y421 HydrophobicContact CG-CD1 4.05Å; K383-Y421 HydrophobicContact CG-CE1 3.94Å; K383-Y421 HydrophobicContact CG-CE2 4.39Å; K383-Y421 HydrophobicContact CG-CG 4.37Å; K383-L425 HydrophobicContact CG-CD1 4.15Å
384D95.6Very high94.6Very high68 Ų6839.3 Ų39.336%0.36420%0.201SC..Hα-helixtrans-62.9-33.6-178.2-65.58.6000112P340 L381 F382 A388P340-D384 HydrophobicContact CG-CB 4.01Å; L381-D384 HydrophobicContact CB-CB 4.33Å; L381-D384 PolarHBondContact O-N 2.89Å; F382-D384 PolarHBondContact O-N 3.28Å; D384-A388 WeakPolarHBondContact O-CB 3.35Å; D384-A388 PolarHBondContact O-N 2.62Å
385V97.6Very high95.2Very high0 Ų037.7 Ų37.70%019%0.194CC..Hα-helixtrans-68.6-44.5173.7168.30000111.2P340 Y343 L356 I370 I380 L381 F382 K383 E387 A388 I389P340-V385 HydrophobicContact CB-CG2 4.21Å; P340-V385 HydrophobicContact CG-CG2 4.2Å; Y343-V385 HydrophobicContact CD1-CG1 3.9Å; Y343-V385 HydrophobicContact CD2-CB 4.43Å; Y343-V385 HydrophobicContact CD2-CG1 3.77Å; Y343-V385 HydrophobicContact CD2-CG2 4Å; Y343-V385 HydrophobicContact CE1-CG1 3.67Å; Y343-V385 HydrophobicContact CE2-CB 4.2Å; Y343-V385 HydrophobicContact CE2-CG1 3.51Å; Y343-V385 HydrophobicContact CE2-CG2 3.6Å; Y343-V385 HydrophobicContact CG-CG1 3.93Å; Y343-V385 VanDerWaalsContact CZ-CG1 3.45Å; L356-V385 HydrophobicContact CD2-CG1 3.82Å; L356-V385 HydrophobicContact CG-CG1 4.28Å; I370-V385 HydrophobicContact CD1-CB 3.88Å; I370-V385 HydrophobicContact CD1-CG1 3.85Å; I370-V385 HydrophobicContact CD1-CG2 3.88Å; I380-V385 HydrophobicContact CD1-CG2 3.53Å; I380-V385 HydrophobicContact CG1-CG2 4.19Å; L381-V385 PolarHBondContact O-N 2.95Å; F382-V385 WeakPolarHBondContact O-CB 3.29Å; F382-V385 PolarHBondContact O-N 3Å; K383-V385 VanDerWaalsContact C-N 3.25Å; K383-V385 PolarHBondContact O-N 2.73Å; V385-E387 VanDerWaalsContact C-N 3.35Å; V385-E387 PolarHBondContact O-N 3.49Å; V385-A388 PolarHBondContact O-N 3.18Å; V385-I389 HydrophobicContact CG1-CD1 3.76Å; V385-I389 HydrophobicContact CG1-CG1 4.44Å; V385-I389 VanDerWaalsContact O-CG1 3.27Å; V385-I389 WeakPolarHBondContact O-CG1 3.21Å; V385-I389 PolarHBondContact O-N 3.32Å
386I97.8Very high95.6Very high0 Ų037.6 Ų37.60%019%0.193CC..Hα-helixtrans-62.5-41.1175.1-62.9-60.1000111.1L356 F382 K383 I389 A390 L425 F426L356-I386 HydrophobicContact CD2-CD1 4.01Å; F382-I386 HydrophobicContact CD1-CG1 3.93Å; F382-I386 HydrophobicContact CE1-CD1 4.04Å; F382-I386 HydrophobicContact CE1-CG1 3.47Å; F382-I386 VanDerWaalsContact CE1-CG1 3.47Å; F382-I386 HydrophobicContact CE2-CD1 4.22Å; F382-I386 HydrophobicContact CE2-CG1 4.32Å; F382-I386 HydrophobicContact CZ-CD1 3.71Å; F382-I386 HydrophobicContact CZ-CG1 3.69Å; F382-I386 WeakPolarHBondContact O-CG1 3.4Å; F382-I386 PolarHBondContact O-N 2.89Å; K383-I386 PolarHBondContact O-N 3.01Å; K383-I386 VanDerWaalsContact O-N 3.12Å; I386-I389 PolarHBondContact O-N 3.35Å; I386-A390 WeakPolarHBondContact O-CB 3.11Å; I386-A390 PolarHBondContact O-N 2.87Å; I386-L425 HydrophobicContact CB-CD1 4.04Å; I386-L425 HydrophobicContact CG2-CB 3.67Å; I386-L425 HydrophobicContact CG2-CD1 3.6Å; I386-L425 HydrophobicContact CG2-CG 4.26Å; I386-F426 HydrophobicContact CB-CZ 4.44Å; I386-F426 HydrophobicContact CD1-CE2 4.02Å; I386-F426 HydrophobicContact CD1-CZ 3.69Å; I386-F426 HydrophobicContact CG2-CD1 4.3Å; I386-F426 HydrophobicContact CG2-CE1 3.79Å; I386-F426 HydrophobicContact CG2-CE2 4.11Å; I386-F426 HydrophobicContact CG2-CZ 3.7Å
387E96.4Very high96Very high61 Ų6131.1 Ų31.129%0.28516%0.162SC..Hα-helixtrans-63-40.2174-69.2-167.2-155.900112.4K383 V385 A390 E391 L425K383-E387 WeakPolarHBondContact CE-OE1 3.46Å; K383-E387 IonicContact NZ-OE1 2.99Å; K383-E387 PolarHBondContact NZ-OE1 2.96Å; K383-E387 PolarHBondContact O-N 3.29Å; V385-E387 VanDerWaalsContact C-N 3.35Å; V385-E387 PolarHBondContact O-N 3.49Å; E387-A390 PolarHBondContact O-N 3.16Å; E387-E391 PolarHBondContact O-N 3.06Å; E387-L425 HydrophobicContact CG-CD1 3.72Å; E387-L425 HydrophobicContact CG-CD2 4.01Å; E387-L425 HydrophobicContact CG-CG 4.43Å
388A97.2Very high96.2Very high0 Ų036.3 Ų36.30%018%0.183CC..Hα-helixtrans-67.4-37.9176.600000113.3P340 R344 D384 V385 S392P340-A388 HydrophobicContact CB-CB 4.14Å; P340-A388 WeakPolarHBondContact O-CB 3.18Å; R344-A388 HydrophobicContact CG-CB 3.98Å; D384-A388 WeakPolarHBondContact O-CB 3.35Å; D384-A388 PolarHBondContact O-N 2.62Å; V385-A388 PolarHBondContact O-N 3.18Å; A388-S392 WeakPolarHBondContact O-CB 3.46Å; A388-S392 PolarHBondContact O-N 3.4Å; A388-S392 PolarHBondContact O-OG 3.22Å
389I98.1Very high96.4Very high0 Ų033.7 Ų33.70%017%0.166CC..Hα-helixtrans-66.3-48173.2-68.2164.9000109.8Y343 L347 L354 L356 V385 I386 E391 S392 A393 L403 F426 I456Y343-I389 HydrophobicContact CD1-CD1 3.82Å; Y343-I389 HydrophobicContact CD1-CG1 3.97Å; Y343-I389 HydrophobicContact CE1-CD1 4.28Å; Y343-I389 HydrophobicContact CG-CD1 4.47Å; Y343-I389 HydrophobicContact CG-CG1 4.26Å; L347-I389 HydrophobicContact CD1-CB 4.24Å; L347-I389 HydrophobicContact CD1-CG1 4.21Å; L347-I389 HydrophobicContact CD1-CG2 4.14Å; L354-I389 HydrophobicContact CD1-CD1 4.37Å; L354-I389 HydrophobicContact CD1-CG1 4.16Å; L356-I389 HydrophobicContact CD1-CD1 4.36Å; L356-I389 HydrophobicContact CD2-CD1 4.15Å; V385-I389 HydrophobicContact CG1-CD1 3.76Å; V385-I389 HydrophobicContact CG1-CG1 4.44Å; V385-I389 VanDerWaalsContact O-CG1 3.27Å; V385-I389 WeakPolarHBondContact O-CG1 3.21Å; V385-I389 PolarHBondContact O-N 3.32Å; I386-I389 PolarHBondContact O-N 3.35Å; I389-E391 VanDerWaalsContact C-N 3.28Å; I389-E391 PolarHBondContact O-N 2.8Å; I389-S392 PolarHBondContact O-N 3.13Å; I389-S392 VanDerWaalsContact O-N 3.09Å; I389-A393 HydrophobicContact CG2-CB 4.5Å; I389-A393 WeakPolarHBondContact O-CB 3.3Å; I389-A393 PolarHBondContact O-N 2.83Å; I389-L403 HydrophobicContact CD1-CD1 4.3Å; I389-L403 HydrophobicContact CD1-CD2 4.05Å; I389-L403 HydrophobicContact CG2-CD2 4.32Å; I389-F426 HydrophobicContact CB-CE1 4.04Å; I389-F426 HydrophobicContact CB-CZ 4.31Å; I389-F426 HydrophobicContact CG2-CE1 3.66Å; I389-F426 HydrophobicContact CG2-CZ 3.87Å; I389-I456 HydrophobicContact CG2-CD1 4.45Å
390A96.9Very high96.6Very high35 Ų3529.2 Ų29.229%0.28915%0.145SC..Hα-helixtrans-58.2-39.1179.700000112.4I386 E387 F426I386-A390 WeakPolarHBondContact O-CB 3.11Å; I386-A390 PolarHBondContact O-N 2.87Å; E387-A390 PolarHBondContact O-N 3.16Å; A390-F426 HydrophobicContact CB-CD1 3.86Å; A390-F426 HydrophobicContact CB-CE1 4.09Å
391E95.6Very high96.7Very high20 Ų2028.2 Ų28.29%0.09314%0.14CC..Hα-helixtrans-62.9-43.2174.1-171.7-163.2147.400112.9R68 Y72 R344 E387 I389 K395R68-E391 WeakPolarHBondContact CD-OE1 3.43Å; R68-E391 IonicContact NE-OE1 2.73Å; R68-E391 PolarHBondContact NE-OE1 3.08Å; Y72-E391 HydrophobicContact CD1-CB 3.94Å; Y72-E391 HydrophobicContact CD1-CG 3.49Å; Y72-E391 VanDerWaalsContact CD1-CG 3.49Å; Y72-E391 WeakPolarHBondContact CD1-OE2 3.16Å; Y72-E391 HydrophobicContact CD2-CG 3.98Å; Y72-E391 HydrophobicContact CE1-CB 3.56Å; Y72-E391 HydrophobicContact CE1-CG 3.58Å; Y72-E391 HydrophobicContact CE2-CG 4.07Å; Y72-E391 HydrophobicContact CG-CG 3.68Å; R344-E391 IonicContact CZ-OE2 2.65Å; R344-E391 VanDerWaalsContact CZ-OE2 3.3Å; R344-E391 IonicContact NE-OE1 3.74Å; R344-E391 IonicContact NE-OE2 3.74Å; R344-E391 PolarHBondContact NE-OE2 3.31Å; R344-E391 IonicContact NH2-OE2 3.44Å; R344-E391 PolarHBondContact NH2-OE2 2.89Å; E387-E391 PolarHBondContact O-N 3.06Å; I389-E391 VanDerWaalsContact C-N 3.28Å; I389-E391 PolarHBondContact O-N 2.8Å; E391-K395 WeakPolarHBondContact O-CE 3.34Å; E391-K395 IonicContact OE1-NZ 2.71Å; E391-K395 PolarHBondContact OE1-NZ 3.45Å
392S97.3Very high96.9Very high0 Ų024.7 Ų24.70%012%0.122CC..Hα-helixtrans-105.9-18.1-161.2-540000114.4R344 A388 I389 F394 K395R344-S392 WeakPolarHBondContact CB-OG 3.15Å; R344-S392 WeakPolarHBondContact CG-OG 3.19Å; A388-S392 WeakPolarHBondContact O-CB 3.46Å; A388-S392 PolarHBondContact O-N 3.4Å; A388-S392 PolarHBondContact O-OG 3.22Å; I389-S392 PolarHBondContact O-N 3.13Å; I389-S392 VanDerWaalsContact O-N 3.09Å; S392-F394 PolarHBondContact O-N 3.3Å; S392-F394 VanDerWaalsContact O-N 3.08Å; S392-K395 PolarHBondContact O-N 3.06Å
393A97Very high97Very high0 Ų024.7 Ų24.70%012%0.122CC..THydrogen-bonded Turntrans-50.7-42.3-169.900000113.1L347 R352 I389 V401 I456L347-A393 HydrophobicContact CD1-CB 4.46Å; R352-A393 VanDerWaalsContact CZ-O 3.28Å; R352-A393 PolarHBondContact NH1-O 3.27Å; R352-A393 PolarHBondContact NH2-O 3.28Å; I389-A393 HydrophobicContact CG2-CB 4.5Å; I389-A393 WeakPolarHBondContact O-CB 3.3Å; I389-A393 PolarHBondContact O-N 2.83Å; A393-V401 HydrophobicContact CB-CG2 4.2Å; A393-I456 HydrophobicContact CB-CD1 4.36Å
394F97.1Very high97Very high38 Ų3821.1 Ų21.117%0.16711%0.107CC..THydrogen-bonded Turntrans-118.220.2-172.9-50.9-64.8000114.5S392 S397 K398 V401 A429 G454 I456S392-F394 PolarHBondContact O-N 3.3Å; S392-F394 VanDerWaalsContact O-N 3.08Å; F394-S397 WeakPolarHBondContact CA-O 3.47Å; F394-K398 HydrophobicContact CB-CD 4.17Å; F394-K398 WeakPolarHBondContact O-CD 3.34Å; F394-K398 WeakPolarHBondContact O-CE 3.45Å; F394-K398 PolarHBondContact O-NZ 3.07Å; F394-V401 HydrophobicContact CE1-CG2 4.14Å; F394-V401 HydrophobicContact CZ-CG2 4.44Å; F394-A429 HydrophobicContact CE2-CB 4.11Å; F394-G454 WeakPolarHBondContact CE2-O 3.45Å; F394-G454 WeakPolarHBondContact CZ-O 3.33Å; F394-I456 HydrophobicContact CE2-CD1 4.19Å; F394-I456 HydrophobicContact CE2-CG1 3.97Å; F394-I456 HydrophobicContact CZ-CD1 4.43Å; F394-I456 HydrophobicContact CZ-CG1 3.76Å
395K95.5Very high97Very high56 Ų5617.9 Ų17.924%0.2439%0.089CC..SBendtrans-63.6-60173.3-75.8-178.8-179.8175.40111.2D66 L131 L348 E391 S392D66-K395 IonicContact OD1-NZ 2.7Å; D66-K395 PolarHBondContact OD1-NZ 3.43Å; D66-K395 IonicContact OD2-NZ 3.27Å; D66-K395 PolarHBondContact OD2-NZ 3.44Å; L131-K395 HydrophobicContact CD2-CB 4.45Å; L131-K395 HydrophobicContact CD2-CD 4.4Å; L348-K395 HydrophobicContact CD2-CB 4.03Å; L348-K395 HydrophobicContact CD2-CD 3.71Å; E391-K395 WeakPolarHBondContact O-CE 3.34Å; E391-K395 IonicContact OE1-NZ 2.71Å; E391-K395 PolarHBondContact OE1-NZ 3.45Å; S392-K395 PolarHBondContact O-N 3.06Å
396T94.7Very high96.7Very high34 Ų3418.5 Ų18.521%0.2099%0.092CC..SBendtrans-102.5-19.8-170.855.70000115Y135 L347 L348Y135-T396 HydrophobicContact CD1-CG2 3.58Å; Y135-T396 HydrophobicContact CD2-CG2 4.14Å; Y135-T396 HydrophobicContact CE1-CG2 3.64Å; Y135-T396 HydrophobicContact CE2-CG2 4.19Å; Y135-T396 HydrophobicContact CG-CG2 3.85Å; L347-T396 PolarHBondContact O-OG1 3.16Å; L348-T396 HydrophobicContact CD2-CG2 4.06Å; L348-T396 WeakPolarHBondContact O-CG2 3.06Å; L348-T396 PolarHBondContact O-OG1 3.43Å
397S96.1Very high96.4Very high5 Ų518.5 Ų18.54%0.0359%0.092CC..  trans-138.2134.7170.8175.40000110.4R352 F394 Y399 T665R352-S397 PolarHBondContact NH1-O 3.29Å; F394-S397 WeakPolarHBondContact CA-O 3.47Å; S397-Y399 VanDerWaalsContact C-N 3.34Å; S397-Y399 PolarHBondContact OG-N 2.94Å; S397-T665 WeakPolarHBondContact CB-O 3.38Å; S397-T665 WeakPolarHBondContact OG-CA 3.44Å; S397-T665 PolarHBondContact OG-O 3.2Å
398K96.1Very high96.1Very high119 Ų11916.2 Ų16.252%0.5178%0.081SC..  trans-86.1-5175.9-53.6-56.3-177.7-174.10113.3F394 M453 G454F394-K398 HydrophobicContact CB-CD 4.17Å; F394-K398 WeakPolarHBondContact O-CD 3.34Å; F394-K398 WeakPolarHBondContact O-CE 3.45Å; F394-K398 PolarHBondContact O-NZ 3.07Å; K398-M453 HydrophobicContact CB-CG 3.75Å; K398-M453 HydrophobicContact CB-SD 3.99Å; K398-M453 WeakPolarHBondContact O-CG 3.27Å; K398-G454 PolarHBondContact O-N 3.45Å
399Y98Very high95.7Very high6 Ų616.2 Ų16.22%0.0248%0.081CC..SBendtrans-73.9152-178.8-76.9-77.5000112.3K308 M312 R352 S397 P449 M453 T665 Y667K308-Y399 HydrophobicContact CD-CE2 4.33Å; K308-Y399 WeakPolarHBondContact CE-OH 3.47Å; K308-Y399 PolarHBondContact NZ-OH 2.93Å; M312-Y399 HydrophobicContact CB-CE1 3.93Å; M312-Y399 WeakPolarHBondContact CB-OH 3.49Å; M312-Y399 HydrophobicContact CE-CD1 3.76Å; M312-Y399 HydrophobicContact CE-CD2 4.36Å; M312-Y399 HydrophobicContact CE-CE1 3.54Å; M312-Y399 HydrophobicContact CE-CE2 4.16Å; M312-Y399 HydrophobicContact CE-CG 4.18Å; M312-Y399 HydrophobicContact CG-CE1 4.18Å; M312-Y399 WeakPolarHBondContact CG-OH 3.13Å; R352-Y399 PolarHBondContact NH1-O 2.95Å; S397-Y399 VanDerWaalsContact C-N 3.34Å; S397-Y399 PolarHBondContact OG-N 2.94Å; Y399-P449 HydrophobicContact CD1-CB 3.56Å; Y399-P449 VanDerWaalsContact CD1-O 3.28Å; Y399-P449 WeakPolarHBondContact CD1-O 3.4Å; Y399-P449 HydrophobicContact CE1-CB 3.96Å; Y399-M453 HydrophobicContact CE1-CE 4.19Å; Y399-T665 HydrophobicContact CD2-CG2 3.54Å; Y399-T665 HydrophobicContact CE2-CG2 3.58Å; Y399-Y667 HydrophobicContact CG-CD2 4.33Å
400P98.1Very high95.1Very high0 Ų019.4 Ų19.40%010%0.099CC..  trans-57.1152.9-168.517.3-30.2000114R352 P449 L452 K455 L457 Y667R352-P400 WeakPolarHBondContact CD-O 3.46Å; P400-P449 WeakPolarHBondContact CD-O 3.27Å; P400-P449 HydrophobicContact CG-CB 4.49Å; P400-L452 HydrophobicContact CB-CB 4.05Å; P400-L452 WeakPolarHBondContact CB-O 3.39Å; P400-L452 WeakPolarHBondContact CD-O 3.3Å; P400-L452 HydrophobicContact CG-CB 3.83Å; P400-K455 CarbonylContact C-O 3.46Å; P400-K455 WeakPolarHBondContact CA-O 3.32Å; P400-K455 WeakPolarHBondContact CB-O 3.33Å; P400-L457 HydrophobicContact CB-CD1 3.7Å; P400-Y667 HydrophobicContact CG-CE2 4.4Å; P400-Y667 PolarHBondContact O-OH 3.36Å
401V98.6Very high94.6Very high0 Ų019.3 Ų19.30%010%0.096CC..EExtended strand (participates in β ladder)trans-112.8133.1175.5178.90000109.4L347 R352 L354 A393 F394 L403 K455 I456 L457L347-V401 HydrophobicContact CD2-CG1 4.08Å; L347-V401 HydrophobicContact CD2-CG2 3.92Å; R352-V401 CarbonylContact O-C 3.52Å; R352-V401 WeakPolarHBondContact O-CA 3.29Å; L354-V401 HydrophobicContact CD1-CG1 4.33Å; L354-V401 HydrophobicContact CG-CG1 4.46Å; A393-V401 HydrophobicContact CB-CG2 4.2Å; F394-V401 HydrophobicContact CE1-CG2 4.14Å; F394-V401 HydrophobicContact CZ-CG2 4.44Å; V401-L403 HydrophobicContact CG1-CD2 3.83Å; V401-K455 PolarHBondContact N-O 2.97Å; V401-I456 CarbonylContact O-C 3.44Å; V401-I456 VanDerWaalsContact O-CA 3.32Å; V401-I456 WeakPolarHBondContact O-CA 3.34Å; V401-L457 PolarHBondContact O-N 3.22Å
402V98.4Very high94.3Very high2 Ų221.4 Ų21.41%0.01211%0.11CC..EExtended strand (participates in β ladder)trans-102.6131.7172.3-179.70000109R352 C353 L354 L457 I566 M640R352-V402 PolarHBondContact O-N 2.96Å; C353-V402 VanDerWaalsContact CA-O 3.3Å; C353-V402 WeakPolarHBondContact CA-O 3.44Å; C353-V402 HydrophobicContact CB-CB 4.37Å; L354-V402 PolarHBondContact N-O 3.45Å; V402-L457 WeakPolarHBondContact CA-O 3.28Å; V402-L457 HydrophobicContact CG2-CB 4.5Å; V402-I566 HydrophobicContact CG1-CG1 4.35Å; V402-I566 HydrophobicContact CG1-CG2 4.09Å; V402-I566 HydrophobicContact CG2-CD1 4.42Å; V402-I566 HydrophobicContact CG2-CG1 4.49Å; V402-M640 HydrophobicContact CB-CE 4.38Å; V402-M640 HydrophobicContact CG1-CE 4.24Å; V402-M640 HydrophobicContact CG1-SD 4.48Å; V402-M640 HydrophobicContact CG2-CE 3.94Å
403L98.3Very high93.9Very high0 Ų027.5 Ų27.50%014%0.136CC..EExtended strand (participates in β ladder)trans-108.3110.3174.2-56-175.2000109.2L354 L356 I389 V401 F405 F426 I456 L457 I458 K459L354-L403 HydrophobicContact CB-CD2 4.08Å; L354-L403 HydrophobicContact CD1-CD2 3.94Å; L354-L403 HydrophobicContact CG-CD2 4.27Å; L356-L403 HydrophobicContact CD1-CB 4Å; L356-L403 HydrophobicContact CD1-CD2 4.14Å; L356-L403 HydrophobicContact CD1-CG 4.46Å; I389-L403 HydrophobicContact CD1-CD1 4.3Å; I389-L403 HydrophobicContact CD1-CD2 4.05Å; I389-L403 HydrophobicContact CG2-CD2 4.32Å; V401-L403 HydrophobicContact CG1-CD2 3.83Å; L403-F405 HydrophobicContact CB-CD1 4.02Å; L403-F405 HydrophobicContact CB-CE1 3.73Å; L403-F405 HydrophobicContact CD1-CE1 4.2Å; L403-F405 PolarHBondContact O-N 2.84Å; L403-F426 HydrophobicContact CD1-CE2 3.82Å; L403-F426 HydrophobicContact CD1-CZ 3.7Å; L403-I456 HydrophobicContact CD1-CG2 3.71Å; L403-I456 HydrophobicContact CG-CG2 3.87Å; L403-L457 PolarHBondContact N-O 2.9Å; L403-I458 HydrophobicContact CB-CD1 4.16Å; L403-I458 HydrophobicContact CD1-CD1 3.95Å; L403-I458 HydrophobicContact CG-CD1 4.38Å; L403-K459 PolarHBondContact O-N 3.3Å
404S96.9Very high93.6Very high0 Ų027.9 Ų27.90%014%0.138CC..EExtended strand (participates in β ladder)trans-75.7101.2169-177.20000108.7L354 E355 L356 K459L354-S404 WeakPolarHBondContact O-CA 3.45Å; L354-S404 VanDerWaalsContact O-CB 3.26Å; L354-S404 WeakPolarHBondContact O-CB 3.33Å; L354-S404 PolarHBondContact O-N 3.41Å; E355-S404 CarbonylContact C-O 3.57Å; E355-S404 WeakPolarHBondContact CA-O 3.43Å; E355-S404 VanDerWaalsContact OE1-CB 3.29Å; E355-S404 WeakPolarHBondContact OE1-CB 3.5Å; E355-S404 PolarHBondContact OE1-OG 2.86Å; L356-S404 PolarHBondContact N-O 2.94Å; S404-K459 WeakPolarHBondContact OG-CE 3.29Å; S404-K459 PolarHBondContact OG-NZ 3.09Å
405F94.8Very high93.3Very high0 Ų026.1 Ų26.10%013%0.13CC..EExtended strand (participates in β ladder)trans-84.5131.7167.3-7545.7000107.4L356 F382 L403 M418 I458 K459 N460 M559L356-F405 HydrophobicContact CD1-CD1 4.49Å; L356-F405 HydrophobicContact CD1-CE1 4.38Å; L356-F405 HydrophobicContact CD2-CE1 4.18Å; L356-F405 HydrophobicContact CD2-CZ 4.33Å; L356-F405 WeakPolarHBondContact O-CA 3.13Å; F382-F405 HydrophobicContact CE2-CD2 4.35Å; F382-F405 AromaticContact CE2-CE2 3.46Å; F382-F405 HydrophobicContact CE2-CE2 3.46Å; F382-F405 VanDerWaalsContact CE2-CE2 3.46Å; F382-F405 AromaticContact CE2-CZ 3.74Å; F382-F405 HydrophobicContact CE2-CZ 3.74Å; F382-F405 AromaticContact CZ-CE2 3.55Å; F382-F405 HydrophobicContact CZ-CE2 3.55Å; F382-F405 AromaticContact CZ-CZ 3.68Å; F382-F405 HydrophobicContact CZ-CZ 3.68Å; L403-F405 HydrophobicContact CB-CD1 4.02Å; L403-F405 HydrophobicContact CB-CE1 3.73Å; L403-F405 HydrophobicContact CD1-CE1 4.2Å; L403-F405 PolarHBondContact O-N 2.84Å; F405-M418 HydrophobicContact CD2-CE 3.79Å; F405-M418 HydrophobicContact CE2-CE 3.76Å; F405-I458 HydrophobicContact CD1-CG2 4.03Å; F405-I458 HydrophobicContact CE1-CD1 3.99Å; F405-I458 HydrophobicContact CE1-CG2 4.11Å; F405-I458 HydrophobicContact CG-CG2 4.43Å; F405-I458 HydrophobicContact CZ-CD1 4.41Å; F405-K459 WeakPolarHBondContact CB-O 3.16Å; F405-K459 PolarHBondContact N-O 2.95Å; F405-K459 PolarHBondContact O-NZ 3.15Å; F405-N460 HydrophobicContact CB-CB 4.21Å; F405-M559 HydrophobicContact CD2-CE 3.61Å; F405-M559 HydrophobicContact CE2-CE 3.51Å; F405-M559 HydrophobicContact CZ-CE 4.41Å
406E92.4Very high93.1Very high12 Ų1227.9 Ų27.96%0.05614%0.139CC..EExtended strand (participates in β ladder)trans-105.8107.6159.3-168.8-178.1114.200106L356 D357 C358 H408 T548 A549 E552L356-E406 PolarHBondContact O-N 3.01Å; D357-E406 CarbonylContact C-O 3.49Å; D357-E406 HydrophobicContact CB-CB 4.48Å; C358-E406 PolarHBondContact N-O 2.89Å; E406-H408 WeakPolarHBondContact CG-NE2 3.28Å; E406-H408 IonicContact OE1-CD2 2.67Å; E406-H408 IonicContact OE1-CE1 3.42Å; E406-H408 IonicContact OE1-NE2 3.43Å; E406-H408 PolarHBondContact OE1-NE2 2.89Å; E406-T548 WeakPolarHBondContact OE1-CB 3.3Å; E406-T548 PolarHBondContact OE1-OG1 2.86Å; E406-A549 VanDerWaalsContact CD-CA 3.43Å; E406-A549 PolarHBondContact OE1-N 2.98Å; E406-A549 WeakPolarHBondContact OE2-CA 3.15Å; E406-A549 WeakPolarHBondContact OE2-CB 3.38Å; E406-A549 PolarHBondContact OE2-N 3.47Å; E406-E552 HydrophobicContact CG-CG 3.77Å
407N91Very high93Very high0 Ų028.9 Ų28.90%014%0.141CC..EExtended strand (participates in β ladder)trans-102.4106-162.8179.251.9000112.3Q415 V553N407-Q415 PolarHBondContact ND2-NE2 2.8Å; N407-V553 PolarHBondContact O-N 3.38Å
408H89.6Confident92.9Very high14 Ų1428.7 Ų28.77%0.06514%0.139CC..EExtended strand (participates in β ladder)trans-108.413.5174.9-58.6-68.7000113.1C358 W359 E406 D410 T548C358-H408 CarbonylContact O-C 3.59Å; C358-H408 WeakPolarHBondContact O-CA 3.42Å; C358-H408 WeakPolarHBondContact O-CB 3.5Å; C358-H408 PolarHBondContact O-N 2.93Å; W359-H408 HydrophobicContact CD2-CB 3.71Å; W359-H408 AromaticContact CD2-CD2 3.99Å; W359-H408 AromaticContact CE2-CD2 3.35Å; W359-H408 AromaticContact CE2-CG 3.84Å; W359-H408 HydrophobicContact CE3-CB 3.53Å; W359-H408 HydrophobicContact CG-CB 4.35Å; W359-H408 HydrophobicContact CH2-CB 3.96Å; W359-H408 AromaticContact CH2-CD2 3.57Å; W359-H408 AromaticContact CH2-CG 3.52Å; W359-H408 AromaticContact CH2-ND1 3.89Å; W359-H408 AromaticContact CH2-NE2 3.88Å; W359-H408 HydrophobicContact CZ2-CB 4.14Å; W359-H408 AromaticContact CZ2-CD2 3.11Å; W359-H408 WeakPolarHBondContact CZ2-CD2 2.91Å; W359-H408 AromaticContact CZ2-CG 3.57Å; W359-H408 AromaticContact CZ2-NE2 3.51Å; W359-H408 HydrophobicContact CZ3-CB 3.67Å; W359-H408 AromaticContact CZ3-CG 3.78Å; W359-H408 AromaticContact NE1-CD2 3.84Å; E406-H408 WeakPolarHBondContact CG-NE2 3.28Å; E406-H408 IonicContact OE1-CD2 2.67Å; E406-H408 IonicContact OE1-CE1 3.42Å; E406-H408 IonicContact OE1-NE2 3.43Å; E406-H408 PolarHBondContact OE1-NE2 2.89Å; H408-D410 PolarHBondContact O-N 2.91Å; H408-T548 PolarHBondContact CE1-O 2.93Å; H408-T548 VanDerWaalsContact CE1-O 3.29Å
409V88.9Confident92.8Very high0 Ų023 Ų230%012%0.115CC..  trans-82.896.6177-174.90000109.8C358 S411 Q414 Q415 M418C358-V409 HydrophobicContact CB-CG2 4.05Å; C358-V409 WeakPolarHBondContact O-CG2 3.47Å; C358-V409 PolarHBondContact O-N 2.9Å; V409-S411 VanDerWaalsContact C-N 3.32Å; V409-Q414 HydrophobicContact CG1-CB 3.41Å; V409-Q414 VanDerWaalsContact CG1-CB 3.41Å; V409-Q415 HydrophobicContact CB-CG 4.09Å; V409-Q415 HydrophobicContact CG1-CG 4.02Å; V409-Q415 PolarHBondContact O-NE2 2.81Å; V409-M418 HydrophobicContact CB-SD 4.09Å; V409-M418 HydrophobicContact CG1-SD 4.3Å; V409-M418 HydrophobicContact CG2-CE 4.46Å; V409-M418 HydrophobicContact CG2-SD 3.63Å
410D85.1Confident92.6Very high67 Ų6727 Ų2736%0.35814%0.136SC..  trans-69-23.4174.655.65.7000114.1K360 H408 Y556K360-D410 WeakPolarHBondContact CD-OD1 3.04Å; K360-D410 WeakPolarHBondContact CD-OD2 3.26Å; K360-D410 WeakPolarHBondContact CE-OD2 3.22Å; K360-D410 IonicContact NZ-OD2 2.65Å; K360-D410 PolarHBondContact NZ-OD2 3.26Å; H408-D410 PolarHBondContact O-N 2.91Å; D410-Y556 PolarHBondContact O-OH 2.89Å
411S87.5Confident92.5Very high33 Ų3329.2 Ų29.223%0.23115%0.145CC..  trans-80.8119.6-179.4178.40000113.3V409 K413 Q414 Q415V409-S411 VanDerWaalsContact C-N 3.32Å; S411-K413 VanDerWaalsContact C-N 3.3Å; S411-K413 PolarHBondContact O-N 3.48Å; S411-Q414 PolarHBondContact O-N 2.93Å; S411-Q414 VanDerWaalsContact O-N 3.09Å; S411-Q415 PolarHBondContact O-N 3.02Å
412V87.9Confident92.4Very high64 Ų6429.2 Ų29.239%0.38815%0.145SC..Hα-helixtrans-50.7-48.6172.8-1770000111.3Q414 Q415 E416 Y556V412-Q414 VanDerWaalsContact C-N 3.28Å; V412-Q414 PolarHBondContact O-N 2.86Å; V412-Q415 PolarHBondContact O-N 3.24Å; V412-E416 WeakPolarHBondContact O-CG 3.49Å; V412-E416 PolarHBondContact O-N 2.99Å; V412-Y556 HydrophobicContact CB-CD2 4.2Å; V412-Y556 HydrophobicContact CB-CE2 4.33Å; V412-Y556 HydrophobicContact CG1-CG 4.46Å; V412-Y556 HydrophobicContact CG2-CD1 4.05Å; V412-Y556 HydrophobicContact CG2-CD2 3.78Å; V412-Y556 HydrophobicContact CG2-CE1 3.85Å; V412-Y556 HydrophobicContact CG2-CE2 3.59Å; V412-Y556 HydrophobicContact CG2-CG 4.03Å
413K89.9Confident92.2Very high127 Ų12733.2 Ų33.255%0.55216%0.162SC*.Hα-helixtrans-58.2-39.4180-64.2-179.5-177173.90112.3S411 E416 K417S411-K413 VanDerWaalsContact C-N 3.3Å; S411-K413 PolarHBondContact O-N 3.48Å; K413-E416 PolarHBondContact O-N 3.27Å; K413-K417 WeakPolarHBondContact O-CG 3.37Å; K413-K417 PolarHBondContact O-N 2.72Å
414Q89.9Confident92.1Very high9 Ų938.2 Ų38.24%0.04219%0.193CC..Hα-helixtrans-77.8-35.5-179.4-67.3-172.118.800111.5G361 E366 V409 S411 V412 E416 K417 M418G361-Q414 PolarHBondContact O-NE2 3.47Å; E366-Q414 WeakPolarHBondContact O-CG 3.42Å; E366-Q414 PolarHBondContact O-NE2 3.49Å; V409-Q414 HydrophobicContact CG1-CB 3.41Å; V409-Q414 VanDerWaalsContact CG1-CB 3.41Å; S411-Q414 PolarHBondContact O-N 2.93Å; S411-Q414 VanDerWaalsContact O-N 3.09Å; V412-Q414 VanDerWaalsContact C-N 3.28Å; V412-Q414 PolarHBondContact O-N 2.86Å; Q414-E416 VanDerWaalsContact C-N 3.29Å; Q414-E416 PolarHBondContact O-N 3.08Å; Q414-K417 WeakPolarHBondContact O-CB 3.46Å; Q414-K417 PolarHBondContact O-N 3.07Å; Q414-M418 VanDerWaalsContact O-CG 3.29Å; Q414-M418 WeakPolarHBondContact O-CG 3.39Å; Q414-M418 PolarHBondContact O-N 3.06Å
415Q90.4Very high92Very high0 Ų040.8 Ų40.80%021%0.206CC..Hα-helixtrans-62.5-34.8168.1-73.9-1642900112.1N407 V409 S411 V412 M418 A419 T554 Y556 M559N407-Q415 PolarHBondContact ND2-NE2 2.8Å; V409-Q415 HydrophobicContact CB-CG 4.09Å; V409-Q415 HydrophobicContact CG1-CG 4.02Å; V409-Q415 PolarHBondContact O-NE2 2.81Å; S411-Q415 PolarHBondContact O-N 3.02Å; V412-Q415 PolarHBondContact O-N 3.24Å; Q415-M418 PolarHBondContact O-N 2.67Å; Q415-A419 WeakPolarHBondContact O-CB 3.42Å; Q415-A419 PolarHBondContact O-N 3.29Å; Q415-T554 PolarHBondContact NE2-O 2.83Å; Q415-Y556 HydrophobicContact CB-CD2 4.33Å; Q415-Y556 VanDerWaalsContact CD-CD2 3.44Å; Q415-Y556 HydrophobicContact CG-CD2 4.18Å; Q415-M559 HydrophobicContact CB-CG 3.91Å; Q415-M559 HydrophobicContact CG-CG 4.32Å
416E91.4Very high92Very high93 Ų9341.5 Ų41.544%0.43521%0.21SC..Hα-helixtrans-66.3-44.8171.4-74.2174.417000112.2V412 K413 Q414 M418 A419 N420 A558V412-E416 WeakPolarHBondContact O-CG 3.49Å; V412-E416 PolarHBondContact O-N 2.99Å; K413-E416 PolarHBondContact O-N 3.27Å; Q414-E416 VanDerWaalsContact C-N 3.29Å; Q414-E416 PolarHBondContact O-N 3.08Å; E416-M418 VanDerWaalsContact C-N 3.33Å; E416-M418 PolarHBondContact O-N 3.16Å; E416-A419 PolarHBondContact O-N 2.84Å; E416-N420 WeakPolarHBondContact O-CB 3.23Å; E416-N420 PolarHBondContact O-N 3.19Å; E416-N420 PolarHBondContact O-ND2 3.47Å; E416-A558 HydrophobicContact CG-CB 3.83Å
417K93.1Very high92.2Very high56 Ų5642.7 Ų42.724%0.24323%0.225CC..Hα-helixtrans-53.8-48.5170.5-74.2-175.3-178.3-175.20111E366 E367 P368 K413 Q414 N420 Y421E366-K417 PolarHBondContact O-NZ 3.19Å; E367-K417 WeakPolarHBondContact OE1-CE 3.33Å; E367-K417 IonicContact OE1-NZ 3.82Å; E367-K417 PolarHBondContact OE1-NZ 3.44Å; P368-K417 HydrophobicContact CG-CB 4.46Å; K413-K417 WeakPolarHBondContact O-CG 3.37Å; K413-K417 PolarHBondContact O-N 2.72Å; Q414-K417 WeakPolarHBondContact O-CB 3.46Å; Q414-K417 PolarHBondContact O-N 3.07Å; K417-N420 PolarHBondContact O-N 3.06Å; K417-Y421 HydrophobicContact CB-CE2 4.21Å; K417-Y421 VanDerWaalsContact O-CD2 3.26Å; K417-Y421 WeakPolarHBondContact O-CD2 3.26Å; K417-Y421 PolarHBondContact O-N 3.44Å
418M94.1Very high92.3Very high0 Ų049.9 Ų49.90%026%0.263CS..Hα-helixtrans-59-49.1178.2-68.4164.566.100112.4C358 P368 F382 F405 V409 Q414 Q415 E416 N420 Y421 C422 M559C358-M418 HydrophobicContact CB-CE 3.52Å; C358-M418 HydrophobicContact CB-SD 4.35Å; C358-M418 VanDerWaalsContact SG-CE 3.58Å; P368-M418 HydrophobicContact CB-CG 3.84Å; P368-M418 HydrophobicContact CB-SD 4.16Å; P368-M418 HydrophobicContact CG-CG 3.77Å; F382-M418 HydrophobicContact CD1-CB 4.42Å; F382-M418 HydrophobicContact CD1-CG 4.02Å; F382-M418 HydrophobicContact CD2-CE 4.34Å; F382-M418 HydrophobicContact CD2-CG 4.39Å; F382-M418 HydrophobicContact CE1-CB 3.82Å; F382-M418 HydrophobicContact CE1-CG 3.89Å; F382-M418 HydrophobicContact CE2-CE 3.89Å; F382-M418 HydrophobicContact CE2-CG 4.29Å; F382-M418 HydrophobicContact CG-CG 4.28Å; F382-M418 HydrophobicContact CZ-CB 3.92Å; F382-M418 HydrophobicContact CZ-CE 4.24Å; F382-M418 HydrophobicContact CZ-CG 4.03Å; F405-M418 HydrophobicContact CD2-CE 3.79Å; F405-M418 HydrophobicContact CE2-CE 3.76Å; V409-M418 HydrophobicContact CB-SD 4.09Å; V409-M418 HydrophobicContact CG1-SD 4.3Å; V409-M418 HydrophobicContact CG2-CE 4.46Å; V409-M418 HydrophobicContact CG2-SD 3.63Å; Q414-M418 VanDerWaalsContact O-CG 3.29Å; Q414-M418 WeakPolarHBondContact O-CG 3.39Å; Q414-M418 PolarHBondContact O-N 3.06Å; Q415-M418 PolarHBondContact O-N 2.67Å; E416-M418 VanDerWaalsContact C-N 3.33Å; E416-M418 PolarHBondContact O-N 3.16Å; M418-N420 VanDerWaalsContact C-N 3.29Å; M418-N420 PolarHBondContact O-N 3.34Å; M418-Y421 PolarHBondContact O-N 3.35Å; M418-C422 PolarHBondContact O-N 3.04Å; M418-C422 PolarHBondContact O-SG 2.9Å; M418-M559 HydrophobicContact CB-SD 3.93Å; M418-M559 HydrophobicContact CE-CE 4.35Å
419A93.4Very high92.7Very high0 Ų050.3 Ų50.30%027%0.269CS..Hα-helixtrans-61.7-38.6178.500000111.9Q415 E416 K423 A558 M559Q415-A419 WeakPolarHBondContact O-CB 3.42Å; Q415-A419 PolarHBondContact O-N 3.29Å; E416-A419 PolarHBondContact O-N 2.84Å; A419-K423 WeakPolarHBondContact O-CB 3.41Å; A419-K423 VanDerWaalsContact O-CG 3.27Å; A419-K423 WeakPolarHBondContact O-CG 3.34Å; A419-K423 PolarHBondContact O-N 3.14Å; A419-A558 HydrophobicContact CB-CB 3.89Å; A419-M559 HydrophobicContact CB-CG 4.4Å; A419-M559 HydrophobicContact CB-SD 3.79Å
420N94.6Very high93.1Very high90 Ų9050.8 Ų50.848%0.48127%0.272SS..Hα-helixtrans-71-39.4177.3-70.8-24.1000112.1E416 K417 M418 K423 T424E416-N420 WeakPolarHBondContact O-CB 3.23Å; E416-N420 PolarHBondContact O-N 3.19Å; E416-N420 PolarHBondContact O-ND2 3.47Å; K417-N420 PolarHBondContact O-N 3.06Å; M418-N420 VanDerWaalsContact C-N 3.29Å; M418-N420 PolarHBondContact O-N 3.34Å; N420-K423 PolarHBondContact O-N 3Å; N420-T424 WeakPolarHBondContact O-CB 3.3Å; N420-T424 WeakPolarHBondContact O-CG2 3.46Å; N420-T424 PolarHBondContact O-N 3.28Å; N420-T424 PolarHBondContact O-OG1 2.81Å
421Y95.9Very high93.6Very high46 Ų4648 Ų4818%0.1826%0.257CS..Hα-helixtrans-61.7-45.2172.7-72.7-40.5000111.6E367 F382 K383 K417 M418 K423 T424 L425E367-Y421 WeakPolarHBondContact OE2-CE2 3.12Å; E367-Y421 PolarHBondContact OE2-OH 3.15Å; F382-Y421 HydrophobicContact CD1-CD2 4.05Å; F382-Y421 HydrophobicContact CE1-CD2 4.41Å; K383-Y421 HydrophobicContact CB-CD2 4.27Å; K383-Y421 HydrophobicContact CB-CE2 4.08Å; K383-Y421 HydrophobicContact CD-CD1 4.48Å; K383-Y421 HydrophobicContact CD-CE1 3.9Å; K383-Y421 HydrophobicContact CG-CD1 4.05Å; K383-Y421 HydrophobicContact CG-CE1 3.94Å; K383-Y421 HydrophobicContact CG-CE2 4.39Å; K383-Y421 HydrophobicContact CG-CG 4.37Å; K417-Y421 HydrophobicContact CB-CE2 4.21Å; K417-Y421 VanDerWaalsContact O-CD2 3.26Å; K417-Y421 WeakPolarHBondContact O-CD2 3.26Å; K417-Y421 PolarHBondContact O-N 3.44Å; M418-Y421 PolarHBondContact O-N 3.35Å; Y421-K423 PolarHBondContact O-N 3.38Å; Y421-T424 PolarHBondContact O-N 3.36Å; Y421-T424 PolarHBondContact O-OG1 3.23Å; Y421-L425 HydrophobicContact CD1-CD1 4.38Å; Y421-L425 VanDerWaalsContact O-CB 3.24Å; Y421-L425 WeakPolarHBondContact O-CB 3.31Å; Y421-L425 WeakPolarHBondContact O-CG 3.42Å; Y421-L425 PolarHBondContact O-N 3.25Å
422C95.9Very high93.7Very high0 Ų049 Ų490%026%0.263CS..Hα-helixtrans-57.5-47.4173.1-71.40000112M418 F426 L430 I562M418-C422 PolarHBondContact O-N 3.04Å; M418-C422 PolarHBondContact O-SG 2.9Å; C422-F426 HydrophobicContact CB-CD2 4.19Å; C422-F426 HydrophobicContact CB-CE2 4.29Å; C422-F426 VanDerWaalsContact O-CB 3.32Å; C422-F426 WeakPolarHBondContact O-CB 3.36Å; C422-F426 WeakPolarHBondContact O-CD2 3.44Å; C422-F426 PolarHBondContact O-N 2.87Å; C422-L430 HydrophobicContact CB-CD2 4.24Å; C422-I562 HydrophobicContact CB-CD1 4.2Å
423K94.8Very high93.8Very high86 Ų8652.9 Ų52.937%0.37428%0.278SS..Hα-helixtrans-65.3-42-179.7-72.6169.5-176.4178.40112.9A419 N420 Y421 G427 L430 S561 I562A419-K423 WeakPolarHBondContact O-CB 3.41Å; A419-K423 VanDerWaalsContact O-CG 3.27Å; A419-K423 WeakPolarHBondContact O-CG 3.34Å; A419-K423 PolarHBondContact O-N 3.14Å; N420-K423 PolarHBondContact O-N 3Å; Y421-K423 PolarHBondContact O-N 3.38Å; K423-G427 WeakPolarHBondContact O-CA 3.46Å; K423-G427 PolarHBondContact O-N 2.98Å; K423-L430 HydrophobicContact CG-CD2 3.86Å; K423-S561 PolarHBondContact NZ-OG 2.57Å; K423-I562 VanDerWaalsContact CE-CG2 3.44Å; K423-I562 HydrophobicContact CG-CG2 4.46Å
424T95.4Very high94Very high105 Ų10549.4 Ų49.464%0.64427%0.268SS*.Hα-helixtrans-82.1-34.1-174.953.40000114.3N420 Y421N420-T424 WeakPolarHBondContact O-CB 3.3Å; N420-T424 WeakPolarHBondContact O-CG2 3.46Å; N420-T424 PolarHBondContact O-N 3.28Å; N420-T424 PolarHBondContact O-OG1 2.81Å; Y421-T424 PolarHBondContact O-N 3.36Å; Y421-T424 PolarHBondContact O-OG1 3.23Å
425L95.3Very high94.1Very high54 Ų5451.7 Ų51.728%0.28328%0.28SS..Hα-helixtrans-92.2-29.5-174.6-62173.8000113.5K383 I386 E387 Y421K383-L425 HydrophobicContact CG-CD1 4.15Å; I386-L425 HydrophobicContact CB-CD1 4.04Å; I386-L425 HydrophobicContact CG2-CB 3.67Å; I386-L425 HydrophobicContact CG2-CD1 3.6Å; I386-L425 HydrophobicContact CG2-CG 4.26Å; E387-L425 HydrophobicContact CG-CD1 3.72Å; E387-L425 HydrophobicContact CG-CD2 4.01Å; E387-L425 HydrophobicContact CG-CG 4.43Å; Y421-L425 HydrophobicContact CD1-CD1 4.38Å; Y421-L425 VanDerWaalsContact O-CB 3.24Å; Y421-L425 WeakPolarHBondContact O-CB 3.31Å; Y421-L425 WeakPolarHBondContact O-CG 3.42Å; Y421-L425 PolarHBondContact O-N 3.25Å
426F96.4Very high94.1Very high16 Ų1660.9 Ų60.97%0.0732%0.323CS..Hα-helixtrans-88-28.9171-59.3-40000112.6I386 I389 A390 L403 C422 D428 A429 L430 I456I386-F426 HydrophobicContact CB-CZ 4.44Å; I386-F426 HydrophobicContact CD1-CE2 4.02Å; I386-F426 HydrophobicContact CD1-CZ 3.69Å; I386-F426 HydrophobicContact CG2-CD1 4.3Å; I386-F426 HydrophobicContact CG2-CE1 3.79Å; I386-F426 HydrophobicContact CG2-CE2 4.11Å; I386-F426 HydrophobicContact CG2-CZ 3.7Å; I389-F426 HydrophobicContact CB-CE1 4.04Å; I389-F426 HydrophobicContact CB-CZ 4.31Å; I389-F426 HydrophobicContact CG2-CE1 3.66Å; I389-F426 HydrophobicContact CG2-CZ 3.87Å; A390-F426 HydrophobicContact CB-CD1 3.86Å; A390-F426 HydrophobicContact CB-CE1 4.09Å; L403-F426 HydrophobicContact CD1-CE2 3.82Å; L403-F426 HydrophobicContact CD1-CZ 3.7Å; C422-F426 HydrophobicContact CB-CD2 4.19Å; C422-F426 HydrophobicContact CB-CE2 4.29Å; C422-F426 VanDerWaalsContact O-CB 3.32Å; C422-F426 WeakPolarHBondContact O-CB 3.36Å; C422-F426 WeakPolarHBondContact O-CD2 3.44Å; C422-F426 PolarHBondContact O-N 2.87Å; F426-D428 PolarHBondContact O-N 3.16Å; F426-A429 HydrophobicContact CB-CB 4.37Å; F426-A429 VanDerWaalsContact O-CB 3.27Å; F426-A429 WeakPolarHBondContact O-CB 3.34Å; F426-A429 PolarHBondContact O-N 3Å; F426-L430 HydrophobicContact CB-CB 3.96Å; F426-L430 HydrophobicContact CD2-CB 4.47Å; F426-L430 HydrophobicContact CD2-CD1 4.38Å; F426-I456 HydrophobicContact CB-CD1 4.3Å; F426-I456 HydrophobicContact CD1-CD1 3.46Å; F426-I456 VanDerWaalsContact CD1-CD1 3.46Å; F426-I456 HydrophobicContact CD2-CD1 4.22Å; F426-I456 HydrophobicContact CD2-CG2 4.36Å; F426-I456 HydrophobicContact CE1-CD1 3.69Å; F426-I456 HydrophobicContact CE2-CD1 4.4Å; F426-I456 HydrophobicContact CE2-CG2 4.11Å; F426-I456 HydrophobicContact CG-CD1 3.75Å; F426-I456 HydrophobicContact CZ-CD1 4.14Å; F426-I456 HydrophobicContact CZ-CG2 4.42Å
427G95.1Very high94.2Very high36 Ų3662.9 Ų62.937%0.37133%0.33SS..G310 helixtrans52-131-176.400000111.7K423 A429 L430K423-G427 WeakPolarHBondContact O-CA 3.46Å; K423-G427 PolarHBondContact O-N 2.98Å; G427-A429 PolarHBondContact O-N 3.02Å; G427-L430 PolarHBondContact O-N 3.05Å
428D94.6Very high94.2Very high151 Ų15161.6 Ų61.681%0.80732%0.324SS*.G310 helixtrans-59-15.7178.7-58.5-29000114.5F426 K455F426-D428 PolarHBondContact O-N 3.16Å; D428-K455 PolarHBondContact O-NZ 2.94Å
429A96.3Very high94.1Very high23 Ų2363.7 Ų63.719%0.1934%0.338CS..G310 helixtrans-73.2-26.5173.300000112.3F394 F426 G427 L431 K455 I456F394-A429 HydrophobicContact CE2-CB 4.11Å; F426-A429 HydrophobicContact CB-CB 4.37Å; F426-A429 VanDerWaalsContact O-CB 3.27Å; F426-A429 WeakPolarHBondContact O-CB 3.34Å; F426-A429 PolarHBondContact O-N 3Å; G427-A429 PolarHBondContact O-N 3.02Å; A429-L431 PolarHBondContact O-N 3.22Å; A429-K455 CarbonylContact O-C 3.53Å; A429-K455 VanDerWaalsContact O-CA 3.29Å; A429-K455 WeakPolarHBondContact O-CA 3.22Å; A429-I456 HydrophobicContact CB-CD1 4.22Å; A429-I456 HydrophobicContact CB-CG1 4.38Å; A429-I456 PolarHBondContact O-N 3.25Å
430L97.4Very high94.1Very high11 Ų1165.9 Ų65.96%0.05835%0.349CS..BIsolated β-bridgetrans-70.1125.7174.9-179.362000110C422 K423 F426 G427 S432 I458 I562C422-L430 HydrophobicContact CB-CD2 4.24Å; K423-L430 HydrophobicContact CG-CD2 3.86Å; F426-L430 HydrophobicContact CB-CB 3.96Å; F426-L430 HydrophobicContact CD2-CB 4.47Å; F426-L430 HydrophobicContact CD2-CD1 4.38Å; G427-L430 PolarHBondContact O-N 3.05Å; L430-S432 PolarHBondContact O-N 3.33Å; L430-I458 HydrophobicContact CD1-CD1 4.11Å; L430-I458 HydrophobicContact CD1-CG1 3.87Å; L430-I562 HydrophobicContact CD2-CG2 4.11Å
431L95.7Very high94.1Very high7 Ų768 Ų684%0.03735%0.354CS..  trans-83.594165.7-170.774.3000108.3A429 E433 L435 L452 K455 I456 L457 N564 Y565A429-L431 PolarHBondContact O-N 3.22Å; L431-E433 WeakPolarHBondContact CD1-O 3.34Å; L431-L435 HydrophobicContact CD1-CD2 4.18Å; L431-L452 HydrophobicContact CD1-CD2 4.19Å; L431-L452 HydrophobicContact CD2-CD2 3.66Å; L431-K455 HydrophobicContact CB-CB 4.37Å; L431-K455 HydrophobicContact CD1-CD 4.42Å; L431-I456 PolarHBondContact N-O 3.43Å; L431-L457 HydrophobicContact CB-CG 4.44Å; L431-L457 HydrophobicContact CD2-CD2 3.81Å; L431-L457 HydrophobicContact CD2-CG 3.93Å; L431-N564 PolarHBondContact O-ND2 2.84Å; L431-Y565 HydrophobicContact CD2-CD2 3.77Å; L431-Y565 HydrophobicContact CD2-CE2 3.92Å
432S90.1Very high93.9Very high54 Ų5469.6 Ų69.638%0.37837%0.37SS..  trans-72.2-58.617147.10000110.9L430 N564L430-S432 PolarHBondContact O-N 3.33Å; S432-N564 PolarHBondContact O-ND2 2.98Å
433E90.9Very high93.6Very high147 Ų14771.7 Ų71.769%0.68739%0.392SS*.SBendtrans-101152.9-170.5-66.9-179.3-161.500113L431L431-E433 WeakPolarHBondContact CD1-O 3.34Å
434P92.6Very high93.4Very high53 Ų5371.8 Ų71.834%0.34439%0.393SS..PPolyproline II helixtrans-65.3145.7171.3-16.431.5000111.6L440 N564 Y565P434-L440 HydrophobicContact CB-CG 4.18Å; P434-L440 HydrophobicContact CG-CD1 3.64Å; P434-L440 HydrophobicContact CG-CD2 4.49Å; P434-L440 HydrophobicContact CG-CG 3.77Å; P434-N564 HydrophobicContact CG-CB 4.12Å; P434-Y565 WeakPolarHBondContact CA-OH 3.49Å; P434-Y565 HydrophobicContact CB-CE2 4.44Å; P434-Y565 WeakPolarHBondContact CB-OH 3.41Å
435L92.8Very high93.1Very high57 Ų5772.2 Ų72.230%0.29839%0.388SS..PPolyproline II helixtrans-66.5136169.3-53-178.4000109.9L431 K437 Y438 P447 L452 Y565L431-L435 HydrophobicContact CD1-CD2 4.18Å; L435-K437 PolarHBondContact O-N 2.91Å; L435-K437 VanDerWaalsContact O-N 3.15Å; L435-Y438 HydrophobicContact CB-CD2 4.48Å; L435-Y438 CarbonylContact O-C 3.55Å; L435-Y438 VanDerWaalsContact O-C 3.3Å; L435-Y438 WeakPolarHBondContact O-CA 3.42Å; L435-Y438 PolarHBondContact O-N 3.04Å; L435-P447 HydrophobicContact CD1-CB 4.1Å; L435-P447 HydrophobicContact CD1-CG 3.9Å; L435-P447 HydrophobicContact CG-CG 4.49Å; L435-L452 HydrophobicContact CD1-CD2 4.03Å; L435-L452 HydrophobicContact CG-CD2 4.49Å; L435-Y565 PolarHBondContact N-OH 3.4Å; L435-Y565 PolarHBondContact O-OH 3.4Å
436E90.8Very high93Very high193 Ų19369.8 Ų69.890%0.90238%0.375SS*.THydrogen-bonded Turntrans-52.4-40.5-176.9-60.1-179159.700113.5Y438E436-Y438 PolarHBondContact O-N 3Å
437K92.2Very high93Very high135 Ų13569 Ų6959%0.58737%0.372SS*.THydrogen-bonded Turntrans-62.3-23.4177.2-179.5-179.5168.2-160.90113.5L435 P439 E451L435-K437 PolarHBondContact O-N 2.91Å; L435-K437 VanDerWaalsContact O-N 3.15Å; K437-P439 WeakPolarHBondContact O-CD 3.38Å; K437-E451 IonicContact NZ-OE1 2.65Å; K437-E451 PolarHBondContact NZ-OE1 2.99Å
438Y93.5Very high93.1Very high29 Ų2967.4 Ų67.411%0.11436%0.355CS..SBendtrans-128.467.2-174.1-64.6-81.1000111L435 E436 Q445 P447 E451 Y565L435-Y438 HydrophobicContact CB-CD2 4.48Å; L435-Y438 CarbonylContact O-C 3.55Å; L435-Y438 VanDerWaalsContact O-C 3.3Å; L435-Y438 WeakPolarHBondContact O-CA 3.42Å; L435-Y438 PolarHBondContact O-N 3.04Å; E436-Y438 PolarHBondContact O-N 3Å; Y438-Q445 WeakPolarHBondContact CD1-O 3.41Å; Y438-P447 HydrophobicContact CD1-CG 4.43Å; Y438-P447 HydrophobicContact CD2-CB 3.84Å; Y438-P447 HydrophobicContact CD2-CG 3.64Å; Y438-P447 HydrophobicContact CE2-CB 3.95Å; Y438-P447 HydrophobicContact CE2-CG 4.27Å; Y438-P447 HydrophobicContact CG-CB 4.26Å; Y438-P447 HydrophobicContact CG-CG 3.74Å; Y438-E451 WeakPolarHBondContact CE2-OE1 3.44Å; Y438-E451 PolarHBondContact OH-OE1 2.93Å; Y438-E451 PolarHBondContact OH-OE2 2.53Å; Y438-Y565 WeakPolarHBondContact CB-OH 3.4Å; Y438-Y565 VanDerWaalsContact O-CE1 3.24Å; Y438-Y565 WeakPolarHBondContact O-CE1 3.41Å; Y438-Y565 PolarHBondContact O-OH 2.8Å
439P93.5Very high93.3Very high44 Ų4460.2 Ų60.229%0.28632%0.317SS..  trans-70.7150.7-179.530.8-34.8000111.3K437 K441 Q444K437-P439 WeakPolarHBondContact O-CD 3.38Å; P439-K441 HydrophobicContact CB-CG 4.46Å; P439-K441 HydrophobicContact CG-CD 4.45Å; P439-K441 PolarHBondContact O-N 3.15Å; P439-Q444 HydrophobicContact CG-CG 4.37Å
440L92.8Very high93.3Very high46 Ų4661.4 Ų61.424%0.24132%0.323CS..SBendtrans-74.851-175.6-58.6176.7000114.1P434 N564 Y565 Y584P434-L440 HydrophobicContact CB-CG 4.18Å; P434-L440 HydrophobicContact CG-CD1 3.64Å; P434-L440 HydrophobicContact CG-CD2 4.49Å; P434-L440 HydrophobicContact CG-CG 3.77Å; L440-N564 HydrophobicContact CD1-CB 4.41Å; L440-N564 WeakPolarHBondContact CD2-O 3.37Å; L440-Y565 HydrophobicContact CD2-CD1 3.73Å; L440-Y565 HydrophobicContact CD2-CE1 3.77Å; L440-Y584 HydrophobicContact CB-CD1 4.23Å; L440-Y584 HydrophobicContact CB-CE1 4.04Å; L440-Y584 HydrophobicContact CD2-CD1 4.06Å; L440-Y584 HydrophobicContact CD2-CD2 4.44Å; L440-Y584 HydrophobicContact CD2-CG 3.9Å; L440-Y584 WeakPolarHBondContact O-CE1 3.45Å; L440-Y584 VanDerWaalsContact O-CZ 3.31Å; L440-Y584 PolarHBondContact O-OH 2.94Å
441K93.1Very high93.2Very high135 Ų13564.3 Ų64.359%0.58734%0.337SS*.  trans-105151.4-179.8-64.9180179.41780111.1P439 Q444P439-K441 HydrophobicContact CB-CG 4.46Å; P439-K441 HydrophobicContact CG-CD 4.45Å; P439-K441 PolarHBondContact O-N 3.15Å; K441-Q444 HydrophobicContact CB-CG 4.19Å; K441-Q444 PolarHBondContact O-N 2.91Å
442P92.4Very high93.3Very high79 Ų7964 Ų6451%0.51334%0.335SS..THydrogen-bonded Turntrans-56.5149.5170.5-23.634.6000112.2Q444 N581 K582P442-Q444 PolarHBondContact O-N 3.39Å; P442-N581 CarbonylContact C-O 3.16Å; P442-N581 WeakPolarHBondContact CA-O 3.47Å; P442-K582 HydrophobicContact CG-CG 4.27Å
443G89.5Confident93.6Very high44 Ų4465.3 Ų65.345%0.45434%0.336SS..THydrogen-bonded Turntrans77.5-18-178.500000115.4N581G443-N581 WeakPolarHBondContact CA-ND2 3.3Å; G443-N581 PolarHBondContact N-O 3.16Å
444Q91.3Very high93.8Very high88 Ų8859.5 Ų59.541%0.41132%0.316SS..PPolyproline II helixtrans-75.8143.8175.2-64.7-62.7-1500111.6P439 K441 P442 S583P439-Q444 HydrophobicContact CG-CG 4.37Å; K441-Q444 HydrophobicContact CB-CG 4.19Å; K441-Q444 PolarHBondContact O-N 2.91Å; P442-Q444 PolarHBondContact O-N 3.39Å; Q444-S583 WeakPolarHBondContact O-CB 3.27Å; Q444-S583 PolarHBondContact O-OG 2.68Å
445Q89.4Confident94.1Very high114 Ų11460 Ų6053%0.53331%0.313SS..PPolyproline II helixtrans-75.9170.1169.3-66.6-177.3-9.200110.5P315 Y438P315-Q445 HydrophobicContact CG-CB 4.3Å; P315-Q445 HydrophobicContact CG-CG 4.47Å; Y438-Q445 WeakPolarHBondContact CD1-O 3.41Å
446I93.4Very high94.4Very high3 Ų357.4 Ų57.42%0.01530%0.299CS..PPolyproline II helixtrans-101.7158.9168.967.4178.4000110I316 P317 Y565 M613I316-I446 HydrophobicContact CB-CD1 3.97Å; I316-I446 HydrophobicContact CB-CG1 4.27Å; I316-I446 HydrophobicContact CG2-CD1 4.25Å; P317-I446 HydrophobicContact CG-CD1 3.83Å; P317-I446 HydrophobicContact CG-CG1 4.01Å; I446-Y565 HydrophobicContact CB-CD1 4.03Å; I446-Y565 HydrophobicContact CG2-CD1 3.81Å; I446-M613 HydrophobicContact CD1-CE 3.41Å; I446-M613 VanDerWaalsContact CD1-CE 3.41Å; I446-M613 HydrophobicContact CD1-SD 3.82Å
447P96.3Very high94.7Very high0 Ų048.2 Ų48.20%026%0.257CS..PPolyproline II helixtrans-61.3165.5-173.4-18.528.3000113.6I316 L435 Y438 E451 L452 Y565I316-P447 WeakPolarHBondContact CG1-O 3.45Å; I316-P447 PolarHBondContact N-O 3.01Å; L435-P447 HydrophobicContact CD1-CB 4.1Å; L435-P447 HydrophobicContact CD1-CG 3.9Å; L435-P447 HydrophobicContact CG-CG 4.49Å; Y438-P447 HydrophobicContact CD1-CG 4.43Å; Y438-P447 HydrophobicContact CD2-CB 3.84Å; Y438-P447 HydrophobicContact CD2-CG 3.64Å; Y438-P447 HydrophobicContact CE2-CB 3.95Å; Y438-P447 HydrophobicContact CE2-CG 4.27Å; Y438-P447 HydrophobicContact CG-CB 4.26Å; Y438-P447 HydrophobicContact CG-CG 3.74Å; P447-E451 HydrophobicContact CB-CB 4.36Å; P447-L452 HydrophobicContact CB-CD1 3.76Å; P447-L452 HydrophobicContact CB-CG 3.91Å; P447-L452 HydrophobicContact CG-CD1 3.98Å; P447-L452 HydrophobicContact CG-CG 4.32Å; P447-Y565 HydrophobicContact CG-CD2 4.29Å; P447-Y565 HydrophobicContact CG-CE1 4.11Å; P447-Y565 HydrophobicContact CG-CE2 3.78Å
448S97.3Very high94.9Very high3 Ų341.8 Ų41.82%0.02123%0.229CC..PPolyproline II helixtrans-78.2157.9172.3680000113.3T313 Q314 S450 E451 L452T313-S448 VanDerWaalsContact C-CB 3.41Å; T313-S448 VanDerWaalsContact O-CB 3.3Å; T313-S448 WeakPolarHBondContact O-CB 3.28Å; Q314-S448 WeakPolarHBondContact O-CA 3.44Å; Q314-S448 WeakPolarHBondContact O-CB 3.35Å; S448-S450 PolarHBondContact O-N 3.4Å; S448-E451 VanDerWaalsContact CB-OE2 3.28Å; S448-E451 WeakPolarHBondContact CB-OE2 3.15Å; S448-E451 PolarHBondContact N-OE2 2.9Å; S448-E451 PolarHBondContact O-N 2.93Å; S448-E451 VanDerWaalsContact OG-CD 3.32Å; S448-E451 VanDerWaalsContact OG-CG 3.32Å; S448-E451 WeakPolarHBondContact OG-CG 3.45Å; S448-E451 PolarHBondContact OG-N 2.77Å; S448-E451 PolarHBondContact OG-OE2 2.96Å; S448-L452 PolarHBondContact O-N 3.27Å
449P97.2Very high95Very high0 Ų040.9 Ų40.90%023%0.225CC..THydrogen-bonded Turntrans-56.7-28.8170.2-23.733.1000113.2M312 Q314 I316 Y319 Y399 P400 M453 Y667M312-P449 HydrophobicContact CE-CB 4Å; M312-P449 HydrophobicContact CE-CG 4.4Å; Q314-P449 WeakPolarHBondContact O-CD 3.28Å; I316-P449 HydrophobicContact CG1-CG 4.03Å; Y319-P449 HydrophobicContact CD2-CG 3.74Å; Y319-P449 HydrophobicContact CE2-CG 3.54Å; Y319-P449 HydrophobicContact CG-CG 4.33Å; Y399-P449 HydrophobicContact CD1-CB 3.56Å; Y399-P449 VanDerWaalsContact CD1-O 3.28Å; Y399-P449 WeakPolarHBondContact CD1-O 3.4Å; Y399-P449 HydrophobicContact CE1-CB 3.96Å; P400-P449 WeakPolarHBondContact CD-O 3.27Å; P400-P449 HydrophobicContact CG-CB 4.49Å; P449-M453 PolarHBondContact O-N 3.42Å; P449-Y667 HydrophobicContact CB-CD1 4.28Å; P449-Y667 HydrophobicContact CB-CE1 4.31Å; P449-Y667 HydrophobicContact CG-CD1 3.91Å; P449-Y667 HydrophobicContact CG-CE1 3.99Å
450S96.3Very high95Very high47 Ų4738.8 Ų38.833%0.32921%0.211SC..THydrogen-bonded Turntrans-76.8-27.7178.3-162.60000114.1M312 S448 L452M312-S450 WeakPolarHBondContact O-CB 3.33Å; M312-S450 PolarHBondContact O-N 2.93Å; M312-S450 VanDerWaalsContact O-N 3.1Å; S448-S450 PolarHBondContact O-N 3.4Å; S450-L452 VanDerWaalsContact C-N 3.35Å
451E96.3Very high94.7Very high73 Ų7340.1 Ų40.134%0.34122%0.215SC..THydrogen-bonded Turntrans-80.7-19.7174.7-70.4161.3123.500112.5K437 Y438 P447 S448K437-E451 IonicContact NZ-OE1 2.65Å; K437-E451 PolarHBondContact NZ-OE1 2.99Å; Y438-E451 WeakPolarHBondContact CE2-OE1 3.44Å; Y438-E451 PolarHBondContact OH-OE1 2.93Å; Y438-E451 PolarHBondContact OH-OE2 2.53Å; P447-E451 HydrophobicContact CB-CB 4.36Å; S448-E451 VanDerWaalsContact CB-OE2 3.28Å; S448-E451 WeakPolarHBondContact CB-OE2 3.15Å; S448-E451 PolarHBondContact N-OE2 2.9Å; S448-E451 PolarHBondContact O-N 2.93Å; S448-E451 VanDerWaalsContact OG-CD 3.32Å; S448-E451 VanDerWaalsContact OG-CG 3.32Å; S448-E451 WeakPolarHBondContact OG-CG 3.45Å; S448-E451 PolarHBondContact OG-N 2.77Å; S448-E451 PolarHBondContact OG-OE2 2.96Å
452L96.7Very high94.1Very high1 Ų137.9 Ų37.91%0.00521%0.206CC..THydrogen-bonded Turntrans-103.924.3176.8-69.9172.5000112.6I316 P400 L431 L435 P447 S448 S450 G454 K455 L457I316-L452 HydrophobicContact CD1-CD1 3.63Å; P400-L452 HydrophobicContact CB-CB 4.05Å; P400-L452 WeakPolarHBondContact CB-O 3.39Å; P400-L452 WeakPolarHBondContact CD-O 3.3Å; P400-L452 HydrophobicContact CG-CB 3.83Å; L431-L452 HydrophobicContact CD1-CD2 4.19Å; L431-L452 HydrophobicContact CD2-CD2 3.66Å; L435-L452 HydrophobicContact CD1-CD2 4.03Å; L435-L452 HydrophobicContact CG-CD2 4.49Å; P447-L452 HydrophobicContact CB-CD1 3.76Å; P447-L452 HydrophobicContact CB-CG 3.91Å; P447-L452 HydrophobicContact CG-CD1 3.98Å; P447-L452 HydrophobicContact CG-CG 4.32Å; S448-L452 PolarHBondContact O-N 3.27Å; S450-L452 VanDerWaalsContact C-N 3.35Å; L452-G454 PolarHBondContact O-N 2.86Å; L452-K455 HydrophobicContact CB-CB 4.49Å; L452-K455 HydrophobicContact CD2-CB 4.42Å; L452-K455 HydrophobicContact CD2-CG 4.4Å; L452-K455 WeakPolarHBondContact O-CB 3.36Å; L452-K455 PolarHBondContact O-N 2.91Å; L452-K455 VanDerWaalsContact O-N 3.15Å; L452-L457 HydrophobicContact CD1-CD2 4.15Å
453M96.5Very high93Very high80 Ų8035.8 Ų35.839%0.39420%0.199SC..THydrogen-bonded Turntrans-62.1133.6177.7-160.5175.8-57.500110.9K398 Y399 P449 K455K398-M453 HydrophobicContact CB-CG 3.75Å; K398-M453 HydrophobicContact CB-SD 3.99Å; K398-M453 WeakPolarHBondContact O-CG 3.27Å; Y399-M453 HydrophobicContact CE1-CE 4.19Å; P449-M453 PolarHBondContact O-N 3.42Å; M453-K455 VanDerWaalsContact C-N 3.25Å; M453-K455 PolarHBondContact O-N 3.08Å
454G96.7Very high91.1Very high26 Ų2638.8 Ų38.827%0.26821%0.213SC..THydrogen-bonded Turntrans72.29.5-175.700000115.3F394 K398 L452F394-G454 WeakPolarHBondContact CE2-O 3.45Å; F394-G454 WeakPolarHBondContact CZ-O 3.33Å; K398-G454 PolarHBondContact O-N 3.45Å; L452-G454 PolarHBondContact O-N 2.86Å
455K98.1Very high88.6Confident64 Ų6443.1 Ų43.128%0.27823%0.233SC..  trans-103.1146.4-177.8-62.7-64.8-176.9175.20114.1P400 V401 D428 A429 L431 L452 M453P400-K455 CarbonylContact C-O 3.46Å; P400-K455 WeakPolarHBondContact CA-O 3.32Å; P400-K455 WeakPolarHBondContact CB-O 3.33Å; V401-K455 PolarHBondContact N-O 2.97Å; D428-K455 PolarHBondContact O-NZ 2.94Å; A429-K455 CarbonylContact O-C 3.53Å; A429-K455 VanDerWaalsContact O-CA 3.29Å; A429-K455 WeakPolarHBondContact O-CA 3.22Å; L431-K455 HydrophobicContact CB-CB 4.37Å; L431-K455 HydrophobicContact CD1-CD 4.42Å; L452-K455 HydrophobicContact CB-CB 4.49Å; L452-K455 HydrophobicContact CD2-CB 4.42Å; L452-K455 HydrophobicContact CD2-CG 4.4Å; L452-K455 WeakPolarHBondContact O-CB 3.36Å; L452-K455 PolarHBondContact O-N 2.91Å; L452-K455 VanDerWaalsContact O-N 3.15Å; M453-K455 VanDerWaalsContact C-N 3.25Å; M453-K455 PolarHBondContact O-N 3.08Å
456I98.4Very high85.6Confident1 Ų145.9 Ų45.91%0.00525%0.246CC..EExtended strand (participates in β ladder)trans-112.4126.9175.2-57.5178.8000107.8I389 A393 F394 V401 L403 F426 A429 L431 I458I389-I456 HydrophobicContact CG2-CD1 4.45Å; A393-I456 HydrophobicContact CB-CD1 4.36Å; F394-I456 HydrophobicContact CE2-CD1 4.19Å; F394-I456 HydrophobicContact CE2-CG1 3.97Å; F394-I456 HydrophobicContact CZ-CD1 4.43Å; F394-I456 HydrophobicContact CZ-CG1 3.76Å; V401-I456 CarbonylContact O-C 3.44Å; V401-I456 VanDerWaalsContact O-CA 3.32Å; V401-I456 WeakPolarHBondContact O-CA 3.34Å; L403-I456 HydrophobicContact CD1-CG2 3.71Å; L403-I456 HydrophobicContact CG-CG2 3.87Å; F426-I456 HydrophobicContact CB-CD1 4.3Å; F426-I456 HydrophobicContact CD1-CD1 3.46Å; F426-I456 VanDerWaalsContact CD1-CD1 3.46Å; F426-I456 HydrophobicContact CD2-CD1 4.22Å; F426-I456 HydrophobicContact CD2-CG2 4.36Å; F426-I456 HydrophobicContact CE1-CD1 3.69Å; F426-I456 HydrophobicContact CE2-CD1 4.4Å; F426-I456 HydrophobicContact CE2-CG2 4.11Å; F426-I456 HydrophobicContact CG-CD1 3.75Å; F426-I456 HydrophobicContact CZ-CD1 4.14Å; F426-I456 HydrophobicContact CZ-CG2 4.42Å; A429-I456 HydrophobicContact CB-CD1 4.22Å; A429-I456 HydrophobicContact CB-CG1 4.38Å; A429-I456 PolarHBondContact O-N 3.25Å; L431-I456 PolarHBondContact N-O 3.43Å; I456-I458 HydrophobicContact CG2-CD1 4.47Å
457L97.6Very high82.3Confident1 Ų155.3 Ų55.31%0.00529%0.286CS..EExtended strand (participates in β ladder)trans-115135.7-178.3-62.991.5000110.3P400 V401 V402 L403 L431 L452 Y565 I566P400-L457 HydrophobicContact CB-CD1 3.7Å; V401-L457 PolarHBondContact O-N 3.22Å; V402-L457 WeakPolarHBondContact CA-O 3.28Å; V402-L457 HydrophobicContact CG2-CB 4.5Å; L403-L457 PolarHBondContact N-O 2.9Å; L431-L457 HydrophobicContact CB-CG 4.44Å; L431-L457 HydrophobicContact CD2-CD2 3.81Å; L431-L457 HydrophobicContact CD2-CG 3.93Å; L452-L457 HydrophobicContact CD1-CD2 4.15Å; L457-Y565 HydrophobicContact CD2-CD2 4.2Å; L457-I566 HydrophobicContact CB-CG1 3.97Å; L457-I566 HydrophobicContact CD2-CD1 4.19Å; L457-I566 HydrophobicContact CD2-CG1 4.02Å
458I97.1Very high79Confident0 Ų060.7 Ų60.70%032%0.321CS..EExtended strand (participates in β ladder)trans-98122.8-179.6-50.8-56.8000110.3L403 F405 L430 I456 N460 I562 V563L403-I458 HydrophobicContact CB-CD1 4.16Å; L403-I458 HydrophobicContact CD1-CD1 3.95Å; L403-I458 HydrophobicContact CG-CD1 4.38Å; F405-I458 HydrophobicContact CD1-CG2 4.03Å; F405-I458 HydrophobicContact CE1-CD1 3.99Å; F405-I458 HydrophobicContact CE1-CG2 4.11Å; F405-I458 HydrophobicContact CG-CG2 4.43Å; F405-I458 HydrophobicContact CZ-CD1 4.41Å; L430-I458 HydrophobicContact CD1-CD1 4.11Å; L430-I458 HydrophobicContact CD1-CG1 3.87Å; I456-I458 HydrophobicContact CG2-CD1 4.47Å; I458-N460 HydrophobicContact CG2-CB 4.1Å; I458-I562 HydrophobicContact CG1-CD1 4.07Å; I458-I562 HydrophobicContact CG1-CG1 4.25Å; I458-V563 HydrophobicContact CB-CG2 4.45Å; I458-V563 HydrophobicContact CG2-CG2 4.25Å
459K95.6Very high75.7Confident9 Ų965.4 Ų65.44%0.03936%0.361CS..EExtended strand (participates in β ladder)trans-88.9107.6157.3167.6-161.7152.7-83.10107L403 S404 F405 E552 I566 P568L403-K459 PolarHBondContact O-N 3.3Å; S404-K459 WeakPolarHBondContact OG-CE 3.29Å; S404-K459 PolarHBondContact OG-NZ 3.09Å; F405-K459 WeakPolarHBondContact CB-O 3.16Å; F405-K459 PolarHBondContact N-O 2.95Å; F405-K459 PolarHBondContact O-NZ 3.15Å; K459-E552 IonicContact NZ-OE1 2.73Å; K459-I566 HydrophobicContact CB-CB 4.4Å; K459-I566 HydrophobicContact CB-CG2 3.8Å; K459-I566 HydrophobicContact CG-CG2 4.46Å; K459-P568 HydrophobicContact CG-CB 4.18Å; K459-P568 HydrophobicContact CG-CG 4.02Å
460N91.9Very high72.6Confident0 Ų073.4 Ų73.40%040%0.398CS..  trans-144.2162.4161.7-168.99.1000108.2F405 I458 M559 V563 P568F405-N460 HydrophobicContact CB-CB 4.21Å; I458-N460 HydrophobicContact CG2-CB 4.1Å; N460-M559 WeakPolarHBondContact ND2-CE 3.37Å; N460-V563 HydrophobicContact CB-CG2 3.97Å; N460-P568 VanDerWaalsContact C-CG 3.48Å; N460-P568 WeakPolarHBondContact O-CD 3.34Å; N460-P568 WeakPolarHBondContact O-CG 3.43Å
461K86.7Confident69.4Low74 Ų7475.9 Ų75.932%0.32242%0.421SS..  trans-52.1151.6168.9-76.5174.4171.9179.80110.7E552 A555K461-E552 HydrophobicContact CD-CB 4.15Å; K461-E552 WeakPolarHBondContact CD-OE2 3.25Å; K461-E552 WeakPolarHBondContact CE-OE2 3.32Å; K461-E552 WeakPolarHBondContact CG-OE2 3.37Å; K461-E552 VanDerWaalsContact NZ-CB 3.34Å; K461-E552 PolarHBondContact NZ-O 3.1Å; K461-E552 IonicContact NZ-OE2 4Å; K461-A555 HydrophobicContact CB-CB 3.89Å; K461-A555 WeakPolarHBondContact O-CB 3.44Å
462K81.9Confident66.2Low88 Ų8880.7 Ų80.738%0.38344%0.441SS..  trans-129.1124.8179-172.5170.9-176.3106.40109.7S560 V563 Q567K462-S560 PolarHBondContact NZ-O 3.11Å; K462-V563 HydrophobicContact CD-CB 4.45Å; K462-V563 PolarHBondContact NZ-O 2.85Å; K462-Q567 HydrophobicContact CD-CG 4.33Å
463G69.6Low62.9Low36 Ų3690.6 Ų90.637%0.37148%0.484SS..  trans-59.4138.8179.200000112.6H465 S560G463-H465 PolarHBondContact O-N 2.8Å; G463-S560 PolarHBondContact N-OG 2.68Å
464S49.1Very low59.6Low107 Ų10792.8 Ų92.875%0.74850%0.502SS*.  trans-82.6109.2177.950.20000111.2E466S464-E466 PolarHBondContact O-N 2.55Å
465H37.8Very low56.2Low179 Ų17997.1 Ų97.183%0.82953%0.529SS*.  trans-74.460.1167.3-77.5-70.3000112.2G463G463-H465 PolarHBondContact O-N 2.8Å
466E26.8Very low52.8Low172 Ų17298.4 Ų98.480%0.80455%0.551SS**  trans-102.7106.3154.2-73.7-178-167.900106.4S464 P468S464-E466 PolarHBondContact O-N 2.55Å; E466-P468 VanDerWaalsContact O-CD 3.3Å; E466-P468 WeakPolarHBondContact O-CD 3.43Å
467K24.3Very low49.4Very low200 Ų200103.5 Ų103.587%0.8759%0.593SS**  trans-63122.8174.6-77.3-177.2175.6179.20108A469K467-A469 PolarHBondContact O-N 3.02Å
468P28.1Very low46Very low113 Ų113107.9 Ų107.973%0.73463%0.629SS**  trans-57129.6163.1-19.532.5000107.9E466 Q470E466-P468 VanDerWaalsContact O-CD 3.3Å; E466-P468 WeakPolarHBondContact O-CD 3.43Å; P468-Q470 PolarHBondContact O-N 3.4Å
469A28Very low42.6Very low103 Ų103114.6 Ų114.685%0.85167%0.671SS**  trans-66.297.8175.900000108.6K467 A471K467-A469 PolarHBondContact O-N 3.02Å; A469-A471 PolarHBondContact O-N 2.79Å
470Q30.2Very low39.3Very low168 Ų168120.6 Ų120.679%0.78570%0.703SS**  trans-64.297.7177.9-77.2-173.3-19.500109.5P468 K472P468-Q470 PolarHBondContact O-N 3.4Å; Q470-K472 PolarHBondContact O-N 2.63Å
471A30.6Very low36.3Very low99 Ų99127.6 Ų127.682%0.81874%0.736SS**  trans-66.782.6170.700000109.7A469 K473A469-A471 PolarHBondContact O-N 2.79Å; A471-K473 PolarHBondContact O-N 2.84Å
472K29.1Very low33.4Very low174 Ų174130 Ų13076%0.75776%0.757SS**  trans-61.9104.9172.9-79.8-170.2173.1-174.40109.4Q470 T474Q470-K472 PolarHBondContact O-N 2.63Å; K472-T474 PolarHBondContact O-N 2.61Å
473K26.9Very low30.7Very low208 Ų208130.3 Ų130.390%0.90478%0.776SS**  trans-68.3117.1158.9-73.9-176.7175.7-179.90108.4A471A471-K473 PolarHBondContact O-N 2.84Å
474T27.6Very low28.7Very low126 Ų126133.2 Ų133.277%0.77380%0.797SS**  trans-136.8105.2163.245.10000109.6K472K472-T474 PolarHBondContact O-N 2.61Å
475S24.9Very low27.6Very low118 Ų118132.7 Ų132.783%0.82580%0.798SS**  trans-63157.4153.630.80000110.2
476A26.2Very low27.2Very low91 Ų91129.9 Ų129.975%0.75279%0.793SS**  cis-165.5-166.4-11.300000109.1
477A26.8Very low27.2Very low107 Ų107126.4 Ų126.488%0.88478%0.784SS**  trans77155.6173.300000116.4
478A26.2Very low27.4Very low93 Ų93123.8 Ų123.877%0.76978%0.775SS**  trans-150.2149.9-164.600000112.4
479T26.3Very low27.4Very low141 Ų141125.6 Ų125.687%0.86577%0.774SS**  trans-157.1108.4152.4-1.30000111.7
480D25.6Very low27.3Very low135 Ų135125.8 Ų125.872%0.72276%0.764SS**  49.2155.6129-147.714.6000124.5
481Q29.3Very low27.2Very low147 Ų147124.3 Ų124.369%0.68777%0.767SS**  trans80.8103.1153.6-87.9166.773.700123.3
482T25.6Very low27Very low126 Ų126123.9 Ų123.977%0.77376%0.763SS**  84.5123.112450.20000124.9
483A26.5Very low26.8Very low94 Ų94120.1 Ų120.178%0.77776%0.764SS**  86.392.4124.900000122.8
484A25.7Very low26.6Very low97 Ų97119 Ų11980%0.80276%0.762SS**  80.1131.5106.900000123.6
485A27.2Very low27.1Very low95 Ų95118.1 Ų118.179%0.78576%0.759SS**  trans67.4158.115400000117.4
486V28.7Very low27.2Very low120 Ų120117.5 Ų117.573%0.72775%0.751SS**  cis-129.5129.27.1174.50000106.5
487T27.8Very low27.2Very low99 Ų99121.7 Ų121.761%0.60776%0.755SS**  41.1148.8102.314.20000116.3
488E28Very low27.1Very low146 Ų146123.9 Ų123.968%0.68275%0.751SS**  cis-141.5141.522-118.7120-12200110.3
489Q27.7Very low27.9Very low150 Ų150125 Ų12570%0.70175%0.751SS**  68.9154.391.9-65.2-175.22600115.8
490T26Very low27.8Very low107 Ų107126 Ų12666%0.65675%0.751SS**  cis-147.51439.95.30000108.7
491V27.8Very low27.8Very low137 Ų137123.4 Ų123.483%0.8375%0.748SS**  63.1135.382.4178.40000112.4
492A26.6Very low27.6Very low91 Ų91121.3 Ų121.375%0.75275%0.75SS**  cis-149.3-174.425.400000112.1
493A26Very low27.7Very low94 Ų94119.8 Ų119.878%0.77774%0.744SS**  cis-155.3161.61.400000112.3
494E22.9Very low27.7Very low184 Ų184123.9 Ų123.986%0.8675%0.748SS**  trans-88.3-169.4161.3-64.5-171.1143.900110.1
495P37.4Very low27.7Very low109 Ų109126.8 Ų126.871%0.70875%0.75SS**  cis-140.4-158.611.739.9-13.9000114.2
496T26.4Very low27.6Very low105 Ų105126.2 Ų126.264%0.64474%0.744SS**  cis-162.414817.9-7.30000113.3
497Q27.2Very low27.4Very low179 Ų179126.1 Ų126.184%0.83675%0.749SS**  trans73.4136.5139.9-79.2165.2-0.300125.3
498D24.5Very low27.6Very low152 Ų152128.2 Ų128.281%0.81376%0.757SS**  trans-71.8-163.7166.3-53.2-88.3000113.3
499P41.8Very low27.9Very low117 Ų117126.8 Ų126.876%0.7676%0.76SS**  cis-139.3171.7-4.741.3-23.8000117.3
500N25.7Very low27.7Very low161 Ų161123.8 Ų123.886%0.86176%0.761SS**  -163.8161.5120.3-141.1-15.1000114.8
501A25.2Very low28Very low82 Ų82123.1 Ų123.168%0.67877%0.766SS**  trans-88.6-176.8171.300000110.9
502S26Very low28.1Very low103 Ų103121.7 Ų121.772%0.7276%0.76SS**  cis-164.9140.828.559.40000116.5
503S26.7Very low28.1Very low94 Ų94122.9 Ų122.966%0.65776%0.758SS**  trans33128.3137.365.60000123.4
504Q27.3Very low28.1Very low180 Ų180125.8 Ų125.884%0.84176%0.755SS**  -177.4128.8106.5-94.4169-0.300107.9
505D24.7Very low28.2Very low158 Ų158123.4 Ų123.485%0.84574%0.744SS**  56.6137.265.3-87.3-17.9000114.4
506A25.5Very low27.6Very low82 Ų82123.2 Ų123.268%0.67874%0.737SS**  cis-157.1167.4-12.100000107.4
507S24.3Very low27.5Very low119 Ų119126.4 Ų126.483%0.83275%0.745SS**  172.1161.670.845.30000111.5
508N31.5Very low27.5Very low142 Ų142122.8 Ų122.876%0.75975%0.746SS**  trans-124.7148.3170.9-165.914.2000107.7A510N508-A510 PolarHBondContact OD1-N 3.15Å
509P34.6Very low27.5Very low117 Ų117125.4 Ų125.476%0.7675%0.753SS**  -140128.4118.327-9.4000112
510A23.8Very low26.7Very low87 Ų87123.6 Ų123.672%0.71976%0.756SS**  78.9136.269.600000113.9N508N508-A510 PolarHBondContact OD1-N 3.15Å
511A31.8Very low26.8Very low92 Ų92125.6 Ų125.676%0.7676%0.76SS**  trans-117.6160.1-177.300000111.7
512P30.8Very low26.8Very low107 Ų107126.7 Ų126.770%0.69577%0.769SS**  trans-102.3146.7152.237.2-28.1000110
513T25.5Very low27.3Very low117 Ų117126 Ų12672%0.71877%0.769SS**  56.8140.155.464.20000112.9
514Q27.3Very low27.8Very low154 Ų154127.8 Ų127.872%0.7278%0.777SS**  cis-162.6160.67.1-117.5161.9-66.300106.9
515E24.2Very low28Very low134 Ų134128.4 Ų128.463%0.62678%0.779SS**  cis-166.3162.61-149.1177-108.900112.8
516N25Very low28.1Very low105 Ų105128.9 Ų128.956%0.56178%0.782SS**  trans62.7123.9142.5-86.5-22.1000126.7
517Q24.9Very low28.5Very low172 Ų172131 Ų13180%0.80478%0.782SS**  64.3114.4126.4-66170.119.600123.1
518A26.2Very low29Very low104 Ų104133.1 Ų133.186%0.8678%0.779SS**  -156.2154.9124.500000110.1
519E25.9Very low29Very low206 Ų206134.6 Ų134.696%0.96378%0.781SS**  trans-96.7155.9-179.7-61.2168.9126.100111.8
520G24.3Very low28.9Very low79 Ų79135.9 Ų135.981%0.81478%0.777SS**  trans178.4118.4174.600000113.9
521E27.3Very low29.3Very low204 Ų204138.5 Ų138.595%0.95377%0.774SS**  trans-73.2138.4-172.4-54.8168.9124.200114.3
522A25.2Very low29.4Very low105 Ų105139.9 Ų139.987%0.86877%0.769SS**  trans-159.4153.2145.400000109.8
523A36.5Very low29.7Very low87 Ų87139.5 Ų139.572%0.71977%0.765SS**  trans-115.5172.6175.900000111.2
524T37.5Very low30.5Very low133 Ų133140.5 Ų140.582%0.81676%0.761SS**  trans6099.6170.8610000117.5
525E30.8Very low31.3Very low192 Ų192137.7 Ų137.790%0.89775%0.748SS**  trans-17295.7130.7-106165.7-159.800109.3
526D28.1Very low31.9Very low169 Ų169137.5 Ų137.590%0.90475%0.747SS**  trans-146.646-174.3-120.5-21.6000110
527N33.1Very low33.1Very low127 Ų127136.1 Ų136.168%0.67974%0.74SS**SBendtrans-149.213.1-173.5-15698000114.6
528E34.5Very low34.3Very low162 Ų162131.2 Ų131.276%0.75772%0.717SS**SBendtrans-110.6-24.5174.7-63.1-161.4165.600113.2Q530E528-Q530 PolarHBondContact O-N 2.96Å
529E30.8Very low35.3Very low174 Ų174131 Ų13181%0.81370%0.698SS**THydrogen-bonded Turntrans-76.9-13-179.9-61.6-161.7156.600115.1T533E529-T533 PolarHBondContact O-OG1 3.12Å
530Q32.4Very low36.2Very low144 Ų144126.5 Ų126.567%0.67368%0.675SS**THydrogen-bonded Turntrans-78.4-39.7176.2-80-171.6-29.100113.2E528 D532 T533 E534E528-Q530 PolarHBondContact O-N 2.96Å; Q530-D532 PolarHBondContact O-N 2.96Å; Q530-T533 PolarHBondContact O-N 3.3Å; Q530-E534 PolarHBondContact O-N 3.33Å
531E34.3Very low37.4Very low142 Ų142123.8 Ų123.866%0.66464%0.642SS**Hα-helixtrans-64.4-42-177-65.1-165.3151.600112.2T533 E534 E535E531-T533 PolarHBondContact O-N 3.2Å; E531-E534 PolarHBondContact O-N 2.96Å; E531-E535 PolarHBondContact O-N 3.31Å; E531-E535 VanDerWaalsContact O-N 3.09Å
532D33.8Very low38.4Very low120 Ų120119.8 Ų119.864%0.64262%0.621SS**Hα-helixtrans-66.8-18.8178.6-98.2-7.6000113.5Q530 Q536Q530-D532 PolarHBondContact O-N 2.96Å; D532-Q536 PolarHBondContact O-NE2 3.06Å
533T35.6Very low39.3Very low99 Ų99120.1 Ų120.161%0.60761%0.613SS**Hα-helixtrans-84-37.9174.3-55.50000111.2E529 Q530 E531E529-T533 PolarHBondContact O-OG1 3.12Å; Q530-T533 PolarHBondContact O-N 3.3Å; E531-T533 PolarHBondContact O-N 3.2Å
534E42Very low40.4Very low139 Ų139118.2 Ų118.265%0.6559%0.594SS**Hα-helixtrans-71.6-42.7178.8-66.6-17116500112.4Q530 E531 Q536 D537 E538Q530-E534 PolarHBondContact O-N 3.33Å; E531-E534 PolarHBondContact O-N 2.96Å; E534-Q536 PolarHBondContact O-N 3.4Å; E534-D537 PolarHBondContact O-N 2.91Å; E534-E538 PolarHBondContact O-N 3.29Å
535E45.7Very low41.9Very low94 Ų94114.5 Ų114.544%0.43957%0.569SS.*Hα-helixtrans-58.3-33.1176.8-81.8-150.1-172.200112.3E531 E539 K1070E531-E535 PolarHBondContact O-N 3.31Å; E531-E535 VanDerWaalsContact O-N 3.09Å; E535-E539 PolarHBondContact O-N 3.12Å; E535-K1070 IonicContact OE2-NZ 2.68Å; E535-K1070 PolarHBondContact OE2-NZ 2.88Å
536Q36.2Very low43.9Very low131 Ų131108.5 Ų108.561%0.61254%0.541SS*.Hα-helixtrans-76.7-25.5-178.8-77.3-170.354.700114.8D532 E534 K540D532-Q536 PolarHBondContact O-NE2 3.06Å; E534-Q536 PolarHBondContact O-N 3.4Å; Q536-K540 PolarHBondContact O-NZ 3.3Å
537D49.1Very low46.3Very low76 Ų76101.3 Ų101.341%0.40651%0.507SS..Hα-helixtrans-85-31.3171.1-98.113.1000111.1E534 E539 K540 M541 Q551E534-D537 PolarHBondContact O-N 2.91Å; D537-E539 PolarHBondContact O-N 3.11Å; D537-K540 PolarHBondContact O-N 3.38Å; D537-K540 IonicContact OD1-NZ 2.97Å; D537-K540 PolarHBondContact OD1-NZ 3.48Å; D537-M541 WeakPolarHBondContact O-CB 3.43Å; D537-M541 PolarHBondContact O-N 2.88Å; D537-Q551 PolarHBondContact OD2-NE2 3.01Å
538E50Low48.4Very low69 Ų6995.9 Ų95.932%0.32248%0.478SS..Hα-helixtrans-57.9-40.1172.3-95-146.8-142.100114.5F374 E534 M541 K542F374-E538 VanDerWaalsContact CD1-CD 3.49Å; F374-E538 HydrophobicContact CD1-CG 4.07Å; F374-E538 HydrophobicContact CE1-CG 3.87Å; F374-E538 VanDerWaalsContact CE1-OE1 3.28Å; F374-E538 WeakPolarHBondContact CE1-OE1 3.32Å; E534-E538 PolarHBondContact O-N 3.29Å; E538-M541 VanDerWaalsContact O-CB 3.32Å; E538-M541 WeakPolarHBondContact O-CB 3.48Å; E538-M541 PolarHBondContact O-N 3.46Å; E538-K542 IonicContact OE2-NZ 3.43Å; E538-K542 PolarHBondContact OE2-NZ 3.44Å
539E47.9Very low50.1Low98 Ų9889.5 Ų89.546%0.45845%0.453SS..Hα-helixtrans-75.4-28.2178.6-71.4-173.9-174.500112E535 D537 T543 K1070E535-E539 PolarHBondContact O-N 3.12Å; D537-E539 PolarHBondContact O-N 3.11Å; E539-T543 PolarHBondContact O-OG1 3.09Å; E539-K1070 IonicContact OE1-NZ 2.76Å; E539-K1070 PolarHBondContact OE1-NZ 2.94Å
540K45.2Very low51.7Low113 Ų11383.8 Ų83.849%0.49144%0.441SS..Hα-helixtrans-72.2-35.4167.5-62.2-174.7-152.582.90112.3Q536 D537 K542 T543 S544Q536-K540 PolarHBondContact O-NZ 3.3Å; D537-K540 PolarHBondContact O-N 3.38Å; D537-K540 IonicContact OD1-NZ 2.97Å; D537-K540 PolarHBondContact OD1-NZ 3.48Å; K540-K542 VanDerWaalsContact C-N 3.31Å; K540-K542 PolarHBondContact O-N 3.41Å; K540-T543 PolarHBondContact O-N 3.44Å; K540-T543 VanDerWaalsContact O-N 3.08Å; K540-T543 PolarHBondContact O-OG1 2.96Å; K540-T543 VanDerWaalsContact O-OG1 3.1Å; K540-S544 PolarHBondContact O-N 3.44Å
541M49.6Very low53.4Low21 Ų2181.4 Ų81.410%0.10343%0.43CS..Hα-helixtrans-53.6-48.5-175.3-148.3173-16200111.6F374 D537 E538 T543 S544 T548 Q551F374-M541 HydrophobicContact CD2-CE 4.03Å; F374-M541 HydrophobicContact CD2-SD 3.55Å; F374-M541 VanDerWaalsContact CD2-SD 3.55Å; F374-M541 HydrophobicContact CE2-CE 3.54Å; F374-M541 HydrophobicContact CE2-SD 3.45Å; F374-M541 WeakPolarHBondContact CE2-SD 3.29Å; F374-M541 HydrophobicContact CG-SD 4.29Å; F374-M541 HydrophobicContact CZ-CE 4.38Å; F374-M541 HydrophobicContact CZ-SD 4.11Å; D537-M541 WeakPolarHBondContact O-CB 3.43Å; D537-M541 PolarHBondContact O-N 2.88Å; E538-M541 VanDerWaalsContact O-CB 3.32Å; E538-M541 WeakPolarHBondContact O-CB 3.48Å; E538-M541 PolarHBondContact O-N 3.46Å; M541-T543 PolarHBondContact O-N 3.09Å; M541-S544 PolarHBondContact O-N 3.26Å; M541-S544 PolarHBondContact O-OG 3.24Å; M541-T548 HydrophobicContact CE-CG2 4.37Å; M541-Q551 HydrophobicContact CE-CB 4.32Å; M541-Q551 HydrophobicContact CE-CG 4.49Å
542K48.2Very low55.6Low121 Ų12176 Ų7653%0.52641%0.405SS..THydrogen-bonded Turntrans-71.4-10.6-177.1-65.6165.2-172.6118.70114.2E538 K540E538-K542 IonicContact OE2-NZ 3.43Å; E538-K542 PolarHBondContact OE2-NZ 3.44Å; K540-K542 VanDerWaalsContact C-N 3.31Å; K540-K542 PolarHBondContact O-N 3.41Å
543T44.4Very low58Low112 Ų11272.4 Ų72.469%0.68739%0.387SS*.THydrogen-bonded Turntrans-116-4.3179.254.70000113.5E539 K540 M541E539-T543 PolarHBondContact O-OG1 3.09Å; K540-T543 PolarHBondContact O-N 3.44Å; K540-T543 VanDerWaalsContact O-N 3.08Å; K540-T543 PolarHBondContact O-OG1 2.96Å; K540-T543 VanDerWaalsContact O-OG1 3.1Å; M541-T543 PolarHBondContact O-N 3.09Å
544S59.9Low60.1Low47 Ų4772.4 Ų72.433%0.32939%0.387SS..  trans-79.4145.1177.277.20000112.7K540 M541K540-S544 PolarHBondContact O-N 3.44Å; M541-S544 PolarHBondContact O-N 3.26Å; M541-S544 PolarHBondContact O-OG 3.24Å
545D69.1Low61.8Low54 Ų5466 Ų6629%0.28936%0.358SS..SBendtrans-75.2-33.5-174.6-140.327.2000112.3V590 T592 K619 G620D545-V590 WeakPolarHBondContact O-CG2 3.45Å; D545-T592 VanDerWaalsContact OD2-CB 3.28Å; D545-T592 WeakPolarHBondContact OD2-CB 3.46Å; D545-T592 WeakPolarHBondContact OD2-CG2 3.4Å; D545-T592 PolarHBondContact OD2-OG1 3.12Å; D545-K619 WeakPolarHBondContact OD1-CB 3.43Å; D545-G620 PolarHBondContact O-N 3Å
546E72.8Confident63.7Low67 Ų6765.7 Ų65.731%0.31335%0.354SS..SBendtrans-79.4-10.4179.2-66.4-171.616000113.5A549 V590 R593E546-A549 WeakPolarHBondContact O-CB 3.48Å; E546-V590 HydrophobicContact CG-CB 4.2Å; E546-V590 HydrophobicContact CG-CG1 3.68Å; E546-R593 WeakPolarHBondContact OE1-CD 3.47Å; E546-R593 IonicContact OE1-CZ 3.64Å; E546-R593 IonicContact OE1-NH1 2.75Å; E546-R593 PolarHBondContact OE1-NH1 3.4Å; E546-R593 IonicContact OE2-NH1 2.75Å
547G78.6Confident66Low18 Ų1866.7 Ų66.719%0.18636%0.358CS..G310 helixtrans64.4-152.117400000114.9A549 G550G547-A549 PolarHBondContact O-N 3.1Å; G547-G550 PolarHBondContact O-N 2.9Å
548T76.9Confident67.6Low13 Ų1364.1 Ų64.18%0.0835%0.347CS..G310 helixtrans-62.5-26.818049.20000112.9W359 E406 H408 M541 G550 Q551W359-T548 HydrophobicContact CH2-CG2 4.3Å; W359-T548 HydrophobicContact CZ2-CG2 4.03Å; E406-T548 WeakPolarHBondContact OE1-CB 3.3Å; E406-T548 PolarHBondContact OE1-OG1 2.86Å; H408-T548 PolarHBondContact CE1-O 2.93Å; H408-T548 VanDerWaalsContact CE1-O 3.29Å; M541-T548 HydrophobicContact CE-CG2 4.37Å; T548-G550 PolarHBondContact O-N 2.92Å; T548-Q551 PolarHBondContact O-N 3.37Å
549A69.9Low69.4Low28 Ų2860.8 Ų60.823%0.23133%0.332CS..G310 helixtrans-53.5-2417600000114.1E406 E546 G547 Q551E406-A549 VanDerWaalsContact CD-CA 3.43Å; E406-A549 PolarHBondContact OE1-N 2.98Å; E406-A549 WeakPolarHBondContact OE2-CA 3.15Å; E406-A549 WeakPolarHBondContact OE2-CB 3.38Å; E406-A549 PolarHBondContact OE2-N 3.47Å; E546-A549 WeakPolarHBondContact O-CB 3.48Å; G547-A549 PolarHBondContact O-N 3.1Å; A549-Q551 PolarHBondContact O-N 3.32Å
550G64.1Low71.3Confident54 Ų5456.7 Ų56.756%0.55731%0.314SS*.G310 helixtrans-61.9-25176.800000114.7G547 T548G547-G550 PolarHBondContact O-N 2.9Å; T548-G550 PolarHBondContact O-N 2.92Å
551Q69.2Low73.4Confident93 Ų9354 Ų5444%0.43531%0.309SS..G310 helixtrans-12121.4-170.3-70.7-171.7-16.300115.2D537 M541 T548 A549 V553D537-Q551 PolarHBondContact OD2-NE2 3.01Å; M541-Q551 HydrophobicContact CE-CB 4.32Å; M541-Q551 HydrophobicContact CE-CG 4.49Å; T548-Q551 PolarHBondContact O-N 3.37Å; A549-Q551 PolarHBondContact O-N 3.32Å; Q551-V553 PolarHBondContact O-N 3.25Å
552E79.3Confident75.4Confident30 Ų3053 Ų5314%0.1430%0.304CS..  trans-42.4131.3172.2-79.4-176.7-171.700112.1E406 K459 K461E406-E552 HydrophobicContact CG-CG 3.77Å; K459-E552 IonicContact NZ-OE1 2.73Å; K461-E552 HydrophobicContact CD-CB 4.15Å; K461-E552 WeakPolarHBondContact CD-OE2 3.25Å; K461-E552 WeakPolarHBondContact CE-OE2 3.32Å; K461-E552 WeakPolarHBondContact CG-OE2 3.37Å; K461-E552 VanDerWaalsContact NZ-CB 3.34Å; K461-E552 PolarHBondContact NZ-O 3.1Å; K461-E552 IonicContact NZ-OE2 4Å
553V83.6Confident77.5Confident43 Ų4347.3 Ų47.326%0.26128%0.28SS..PPolyproline II helixtrans-78.2160.8-178-177.40000111.9N407 Q551 A555N407-V553 PolarHBondContact O-N 3.38Å; Q551-V553 PolarHBondContact O-N 3.25Å; V553-A555 PolarHBondContact O-N 3.03Å
554T81.3Confident79.7Confident99 Ų9942 Ų4261%0.60725%0.247SC*.PPolyproline II helixtrans-58.2131.2173.8-58.90000111.6Q415Q415-T554 PolarHBondContact NE2-O 2.83Å
555A77.5Confident81.4Confident6 Ų639.9 Ų39.95%0.0523%0.232CC..PPolyproline II helixtrans-83.8126.9174.800000111.2K461 V553 S560K461-A555 HydrophobicContact CB-CB 3.89Å; K461-A555 WeakPolarHBondContact O-CB 3.44Å; V553-A555 PolarHBondContact O-N 3.03Å; A555-S560 PolarHBondContact O-OG 3.19Å
556Y84Confident82.6Confident87 Ų8737.3 Ų37.334%0.34122%0.218SC..  trans-77.7175.7175.4-62.7-65.7000111.9D410 V412 Q415 A558 M559 S560D410-Y556 PolarHBondContact O-OH 2.89Å; V412-Y556 HydrophobicContact CB-CD2 4.2Å; V412-Y556 HydrophobicContact CB-CE2 4.33Å; V412-Y556 HydrophobicContact CG1-CG 4.46Å; V412-Y556 HydrophobicContact CG2-CD1 4.05Å; V412-Y556 HydrophobicContact CG2-CD2 3.78Å; V412-Y556 HydrophobicContact CG2-CE1 3.85Å; V412-Y556 HydrophobicContact CG2-CE2 3.59Å; V412-Y556 HydrophobicContact CG2-CG 4.03Å; Q415-Y556 HydrophobicContact CB-CD2 4.33Å; Q415-Y556 VanDerWaalsContact CD-CD2 3.44Å; Q415-Y556 HydrophobicContact CG-CD2 4.18Å; Y556-A558 PolarHBondContact O-N 3.26Å; Y556-M559 PolarHBondContact O-N 2.86Å; Y556-S560 VanDerWaalsContact O-CB 3.26Å; Y556-S560 WeakPolarHBondContact O-CB 3.46Å; Y556-S560 PolarHBondContact O-N 3.09Å; Y556-S560 PolarHBondContact O-OG 2.98Å
557E84.9Confident83.6Confident151 Ų15135.5 Ų35.571%0.70621%0.21SC*.Hα-helixtrans-57.6-44.4-173.1-173.5171.1173.300112.9M559 S560 S561E557-M559 PolarHBondContact O-N 3.43Å; E557-S560 CarbonylContact O-C 3.5Å; E557-S560 PolarHBondContact O-N 2.82Å; E557-S561 WeakPolarHBondContact O-CB 3.21Å; E557-S561 PolarHBondContact O-N 2.97Å
558A83.4Confident84.2Confident22 Ų2235.7 Ų35.718%0.18221%0.208CC..Hα-helixtrans-57.4-47.5-179.400000112.8E416 A419 Y556 S561E416-A558 HydrophobicContact CG-CB 3.83Å; A419-A558 HydrophobicContact CB-CB 3.89Å; Y556-A558 PolarHBondContact O-N 3.26Å; A558-S561 PolarHBondContact O-OG 3.14Å
559M86.8Confident84.8Confident0 Ų039.3 Ų39.30%023%0.227CC..Hα-helixtrans-75.2-33175.7-74.7-60.1-6400112.7F405 Q415 M418 A419 N460 Y556 E557 S561 I562F405-M559 HydrophobicContact CD2-CE 3.61Å; F405-M559 HydrophobicContact CE2-CE 3.51Å; F405-M559 HydrophobicContact CZ-CE 4.41Å; Q415-M559 HydrophobicContact CB-CG 3.91Å; Q415-M559 HydrophobicContact CG-CG 4.32Å; M418-M559 HydrophobicContact CB-SD 3.93Å; M418-M559 HydrophobicContact CE-CE 4.35Å; A419-M559 HydrophobicContact CB-CG 4.4Å; A419-M559 HydrophobicContact CB-SD 3.79Å; N460-M559 WeakPolarHBondContact ND2-CE 3.37Å; Y556-M559 PolarHBondContact O-N 2.86Å; E557-M559 PolarHBondContact O-N 3.43Å; M559-S561 VanDerWaalsContact C-N 3.27Å; M559-S561 PolarHBondContact O-N 3.15Å; M559-I562 HydrophobicContact CE-CD1 4.27Å; M559-I562 WeakPolarHBondContact O-CG1 3.36Å; M559-I562 HydrophobicContact SD-CD1 4.12Å
560S88.6Confident85.6Confident12 Ų1247 Ų478%0.08426%0.255CS..Hα-helixtrans-66.3-27.4174.8-66.90000113.1K462 G463 A555 Y556 E557 I562K462-S560 PolarHBondContact NZ-O 3.11Å; G463-S560 PolarHBondContact N-OG 2.68Å; A555-S560 PolarHBondContact O-OG 3.19Å; Y556-S560 VanDerWaalsContact O-CB 3.26Å; Y556-S560 WeakPolarHBondContact O-CB 3.46Å; Y556-S560 PolarHBondContact O-N 3.09Å; Y556-S560 PolarHBondContact O-OG 2.98Å; E557-S560 CarbonylContact O-C 3.5Å; E557-S560 PolarHBondContact O-N 2.82Å; S560-I562 VanDerWaalsContact C-N 3.32Å; S560-I562 PolarHBondContact O-N 2.78Å
561S89.8Confident86.9Confident55 Ų5546 Ų4639%0.38524%0.235SC..Hα-helixtrans-65.1-32.5-179.1740000113.2K423 E557 A558 M559K423-S561 PolarHBondContact NZ-OG 2.57Å; E557-S561 WeakPolarHBondContact O-CB 3.21Å; E557-S561 PolarHBondContact O-N 2.97Å; A558-S561 PolarHBondContact O-OG 3.14Å; M559-S561 VanDerWaalsContact C-N 3.27Å; M559-S561 PolarHBondContact O-N 3.15Å
562I90.4Very high87.9Confident0 Ų047.4 Ų47.40%024%0.244CC..THydrogen-bonded Turntrans-95.49.4-175.262.3177.9000114.1C422 K423 L430 I458 M559 S560C422-I562 HydrophobicContact CB-CD1 4.2Å; K423-I562 VanDerWaalsContact CE-CG2 3.44Å; K423-I562 HydrophobicContact CG-CG2 4.46Å; L430-I562 HydrophobicContact CD2-CG2 4.11Å; I458-I562 HydrophobicContact CG1-CD1 4.07Å; I458-I562 HydrophobicContact CG1-CG1 4.25Å; M559-I562 HydrophobicContact CE-CD1 4.27Å; M559-I562 WeakPolarHBondContact O-CG1 3.36Å; M559-I562 HydrophobicContact SD-CD1 4.12Å; S560-I562 VanDerWaalsContact C-N 3.32Å; S560-I562 PolarHBondContact O-N 2.78Å
563V92.3Very high88.6Confident2 Ų247.8 Ų47.81%0.01225%0.251CS..  trans-105.8116.7178.7179.80000110.6I458 N460 K462 Q567I458-V563 HydrophobicContact CB-CG2 4.45Å; I458-V563 HydrophobicContact CG2-CG2 4.25Å; N460-V563 HydrophobicContact CB-CG2 3.97Å; K462-V563 HydrophobicContact CD-CB 4.45Å; K462-V563 PolarHBondContact NZ-O 2.85Å; V563-Q567 HydrophobicContact CG1-CG 3.75Å
564N92.3Very high89Confident1 Ų147 Ų471%0.00524%0.244CC..  trans-119.9-83.2-177.541.657.8000113.1L431 S432 P434 L440 Q567L431-N564 PolarHBondContact O-ND2 2.84Å; S432-N564 PolarHBondContact O-ND2 2.98Å; P434-N564 HydrophobicContact CG-CB 4.12Å; L440-N564 HydrophobicContact CD1-CB 4.41Å; L440-N564 WeakPolarHBondContact CD2-O 3.37Å; N564-Q567 PolarHBondContact O-NE2 2.93Å
565Y94.1Very high89.5Confident3 Ų349.8 Ų49.81%0.01225%0.25CC..SBendtrans-85.9-12.4-170-65.8-66.2000115.5L431 P434 L435 Y438 L440 I446 P447 L457 Y584 M613L431-Y565 HydrophobicContact CD2-CD2 3.77Å; L431-Y565 HydrophobicContact CD2-CE2 3.92Å; P434-Y565 WeakPolarHBondContact CA-OH 3.49Å; P434-Y565 HydrophobicContact CB-CE2 4.44Å; P434-Y565 WeakPolarHBondContact CB-OH 3.41Å; L435-Y565 PolarHBondContact N-OH 3.4Å; L435-Y565 PolarHBondContact O-OH 3.4Å; Y438-Y565 WeakPolarHBondContact CB-OH 3.4Å; Y438-Y565 VanDerWaalsContact O-CE1 3.24Å; Y438-Y565 WeakPolarHBondContact O-CE1 3.41Å; Y438-Y565 PolarHBondContact O-OH 2.8Å; L440-Y565 HydrophobicContact CD2-CD1 3.73Å; L440-Y565 HydrophobicContact CD2-CE1 3.77Å; I446-Y565 HydrophobicContact CB-CD1 4.03Å; I446-Y565 HydrophobicContact CG2-CD1 3.81Å; P447-Y565 HydrophobicContact CG-CD2 4.29Å; P447-Y565 HydrophobicContact CG-CE1 4.11Å; P447-Y565 HydrophobicContact CG-CE2 3.78Å; L457-Y565 HydrophobicContact CD2-CD2 4.2Å; Y565-Y584 CarbonylContact C-O 3.59Å; Y565-Y584 CarbonylContact O-C 3.57Å; Y565-Y584 VanDerWaalsContact O-CA 3.28Å; Y565-Y584 WeakPolarHBondContact O-CA 3.41Å; Y565-M613 WeakPolarHBondContact O-CE 3.35Å
566I94.6Very high90.3Very high0 Ų051.7 Ų51.70%026%0.259CS..  trans-118.259.5-173.5-38.6-64.3000109.9V402 L457 K459 P568 I586 M613V402-I566 HydrophobicContact CG1-CG1 4.35Å; V402-I566 HydrophobicContact CG1-CG2 4.09Å; V402-I566 HydrophobicContact CG2-CD1 4.42Å; V402-I566 HydrophobicContact CG2-CG1 4.49Å; L457-I566 HydrophobicContact CB-CG1 3.97Å; L457-I566 HydrophobicContact CD2-CD1 4.19Å; L457-I566 HydrophobicContact CD2-CG1 4.02Å; K459-I566 HydrophobicContact CB-CB 4.4Å; K459-I566 HydrophobicContact CB-CG2 3.8Å; K459-I566 HydrophobicContact CG-CG2 4.46Å; I566-P568 VanDerWaalsContact O-CD 3.25Å; I566-P568 WeakPolarHBondContact O-CD 3.42Å; I566-I586 HydrophobicContact CG2-CB 4.37Å; I566-I586 HydrophobicContact CG2-CD1 4.06Å; I566-I586 HydrophobicContact CG2-CG2 3.8Å; I566-M613 HydrophobicContact CD1-CE 3.72Å; I566-M613 HydrophobicContact CD1-SD 3.74Å
567Q94.3Very high90.7Very high28 Ų2848 Ų4813%0.13125%0.247CC..EExtended strand (participates in β ladder)trans-84.6109.3-177.5-72.1170.441.200111.5K462 V563 N564 N569 Y584 V585 I586K462-Q567 HydrophobicContact CD-CG 4.33Å; V563-Q567 HydrophobicContact CG1-CG 3.75Å; N564-Q567 PolarHBondContact O-NE2 2.93Å; Q567-N569 PolarHBondContact O-ND2 3.16Å; Q567-Y584 HydrophobicContact CB-CD2 4.48Å; Q567-Y584 HydrophobicContact CG-CD2 4.38Å; Q567-Y584 PolarHBondContact N-O 3.45Å; Q567-Y584 VanDerWaalsContact NE2-CD2 3.35Å; Q567-V585 WeakPolarHBondContact O-CA 2.94Å; Q567-I586 PolarHBondContact O-N 3.47Å
568P92Very high91Very high23 Ų2348.1 Ų48.115%0.14925%0.245CC..EExtended strand (participates in β ladder)trans-69.9131.8176.831.1-33.1000110.4K459 N460 I566 I586K459-P568 HydrophobicContact CG-CB 4.18Å; K459-P568 HydrophobicContact CG-CG 4.02Å; N460-P568 VanDerWaalsContact C-CG 3.48Å; N460-P568 WeakPolarHBondContact O-CD 3.34Å; N460-P568 WeakPolarHBondContact O-CG 3.43Å; I566-P568 VanDerWaalsContact O-CD 3.25Å; I566-P568 WeakPolarHBondContact O-CD 3.42Å; P568-I586 WeakPolarHBondContact CA-O 3.47Å; P568-I586 HydrophobicContact CB-CG2 4.26Å
569N88Confident91.5Very high88 Ų8856 Ų5647%0.47128%0.275SS..  trans-134.5144.6171.1-78.5-87000110.7Q567 F571 V585 I586 S587Q567-N569 PolarHBondContact O-ND2 3.16Å; N569-F571 PolarHBondContact O-N 3.19Å; N569-V585 HydrophobicContact CB-CG1 3.77Å; N569-V585 WeakPolarHBondContact ND2-CG1 3.42Å; N569-I586 PolarHBondContact N-O 3.17Å; N569-I586 VanDerWaalsContact N-O 3.12Å; N569-S587 PolarHBondContact O-OG 3.02Å
570K87.3Confident91.8Very high191 Ų19161.7 Ų61.783%0.8330%0.3SS*.  trans-58.6121.3173.4-171.1166.6-173.9166.30109.4
571F91.5Very high92Very high32 Ų3264.2 Ų64.214%0.1431%0.313CS..  trans-71.6136.7-179.7-177.2-93000111N569 F574 F589 M597 Y608N569-F571 PolarHBondContact O-N 3.19Å; F571-F574 AromaticContact CE2-CD1 3.69Å; F571-F574 HydrophobicContact CE2-CD1 3.69Å; F571-F574 AromaticContact CE2-CE1 3.76Å; F571-F574 HydrophobicContact CE2-CE1 3.76Å; F571-F574 HydrophobicContact CE2-CG 4.38Å; F571-F574 HydrophobicContact CE2-CZ 4.5Å; F571-F574 AromaticContact CZ-CD1 3.51Å; F571-F574 HydrophobicContact CZ-CD1 3.51Å; F571-F574 HydrophobicContact CZ-CD2 4.15Å; F571-F574 AromaticContact CZ-CE1 3.54Å; F571-F574 HydrophobicContact CZ-CE1 3.54Å; F571-F574 HydrophobicContact CZ-CE2 4.18Å; F571-F574 AromaticContact CZ-CG 3.82Å; F571-F574 HydrophobicContact CZ-CG 3.82Å; F571-F574 AromaticContact CZ-CZ 3.89Å; F571-F574 HydrophobicContact CZ-CZ 3.89Å; F571-F589 HydrophobicContact CB-CE1 3.6Å; F571-F589 HydrophobicContact CB-CZ 4.01Å; F571-F589 AromaticContact CD1-CE1 3.85Å; F571-F589 HydrophobicContact CD1-CE1 3.85Å; F571-F589 HydrophobicContact CD1-CZ 4.33Å; F571-F589 HydrophobicContact CD2-CE1 4Å; F571-F589 AromaticContact CD2-CZ 3.68Å; F571-F589 HydrophobicContact CD2-CZ 3.68Å; F571-F589 HydrophobicContact CE1-CE1 4.49Å; F571-F589 HydrophobicContact CE2-CZ 4.17Å; F571-F589 AromaticContact CG-CE1 3.55Å; F571-F589 HydrophobicContact CG-CE1 3.55Å; F571-F589 AromaticContact CG-CZ 3.75Å; F571-F589 HydrophobicContact CG-CZ 3.75Å; F571-M597 HydrophobicContact CE1-SD 4.07Å; F571-M597 HydrophobicContact CZ-SD 4.48Å; F571-Y608 HydrophobicContact CE2-CE2 4.31Å
572I90.8Very high92.2Very high122 Ų12265.3 Ų65.363%0.62631%0.31SS*.  trans-113.6-66.5179.8-58174.9000109.4
573S92.4Very high92.4Very high39 Ų3965.5 Ų65.527%0.27331%0.312SS..  trans-155.2159.517472.20000111E575 N576 A577S573-E575 VanDerWaalsContact C-N 3.28Å; S573-E575 PolarHBondContact O-N 2.92Å; S573-N576 PolarHBondContact O-N 2.88Å; S573-N576 WeakPolarHBondContact OG-CB 3.48Å; S573-N576 PolarHBondContact OG-N 3.43Å; S573-N576 VanDerWaalsContact OG-N 3.15Å; S573-A577 PolarHBondContact O-N 3.33Å
574F93.1Very high92.4Very high26 Ų2666.3 Ų66.311%0.11432%0.315CS..Hα-helixtrans-62.4-35.9175.1-64.6-60.6000112.1F571 A577 K578 M597 E604 F605 Y608F571-F574 AromaticContact CE2-CD1 3.69Å; F571-F574 HydrophobicContact CE2-CD1 3.69Å; F571-F574 AromaticContact CE2-CE1 3.76Å; F571-F574 HydrophobicContact CE2-CE1 3.76Å; F571-F574 HydrophobicContact CE2-CG 4.38Å; F571-F574 HydrophobicContact CE2-CZ 4.5Å; F571-F574 AromaticContact CZ-CD1 3.51Å; F571-F574 HydrophobicContact CZ-CD1 3.51Å; F571-F574 HydrophobicContact CZ-CD2 4.15Å; F571-F574 AromaticContact CZ-CE1 3.54Å; F571-F574 HydrophobicContact CZ-CE1 3.54Å; F571-F574 HydrophobicContact CZ-CE2 4.18Å; F571-F574 AromaticContact CZ-CG 3.82Å; F571-F574 HydrophobicContact CZ-CG 3.82Å; F571-F574 AromaticContact CZ-CZ 3.89Å; F571-F574 HydrophobicContact CZ-CZ 3.89Å; F574-A577 PolarHBondContact O-N 3.49Å; F574-K578 WeakPolarHBondContact O-CB 3.3Å; F574-K578 PolarHBondContact O-N 3.25Å; F574-M597 HydrophobicContact CE2-SD 4.41Å; F574-M597 HydrophobicContact CZ-SD 3.99Å; F574-E604 HydrophobicContact CB-CB 3.95Å; F574-E604 HydrophobicContact CD2-CB 3.49Å; F574-E604 VanDerWaalsContact CD2-CB 3.49Å; F574-E604 HydrophobicContact CD2-CG 4.43Å; F574-E604 HydrophobicContact CE2-CB 4.15Å; F574-E604 HydrophobicContact CG-CB 3.79Å; F574-F605 HydrophobicContact CE1-CB 4.16Å; F574-F605 AromaticContact CE1-CD2 3.72Å; F574-F605 HydrophobicContact CE1-CD2 3.72Å; F574-F605 HydrophobicContact CE1-CE2 4.32Å; F574-F605 HydrophobicContact CE1-CG 4.01Å; F574-F605 HydrophobicContact CE2-CB 4.33Å; F574-F605 HydrophobicContact CZ-CB 3.71Å; F574-F605 HydrophobicContact CZ-CD1 4.13Å; F574-F605 AromaticContact CZ-CD2 3.8Å; F574-F605 HydrophobicContact CZ-CD2 3.8Å; F574-F605 HydrophobicContact CZ-CE2 4.43Å; F574-F605 AromaticContact CZ-CG 3.62Å; F574-F605 HydrophobicContact CZ-CG 3.62Å; F574-Y608 AromaticContact CD1-CD2 3.98Å; F574-Y608 HydrophobicContact CD1-CD2 3.98Å; F574-Y608 AromaticContact CD1-CG 3.9Å; F574-Y608 HydrophobicContact CD1-CG 3.9Å; F574-Y608 HydrophobicContact CE1-CD1 4.46Å; F574-Y608 HydrophobicContact CE1-CD2 4.41Å; F574-Y608 HydrophobicContact CE1-CG 4.02Å
575E92.4Very high92.5Very high157 Ų15767 Ų6773%0.73432%0.319SS*.Hα-helixtrans-62.5-46.7175.2-59.6-177.3149.400112.3S573 A577 K578 K579S573-E575 VanDerWaalsContact C-N 3.28Å; S573-E575 PolarHBondContact O-N 2.92Å; E575-A577 VanDerWaalsContact C-N 3.33Å; E575-A577 PolarHBondContact O-N 2.82Å; E575-K578 PolarHBondContact O-N 2.86Å; E575-K579 WeakPolarHBondContact O-CB 3.43Å; E575-K579 PolarHBondContact O-N 3.49Å
576N92.8Very high92.6Very high47 Ų4767 Ų6725%0.25132%0.319SS..Hα-helixtrans-64.2-38.2176.2161.576.4000111.4S573 K579 K580S573-N576 PolarHBondContact O-N 2.88Å; S573-N576 WeakPolarHBondContact OG-CB 3.48Å; S573-N576 PolarHBondContact OG-N 3.43Å; S573-N576 VanDerWaalsContact OG-N 3.15Å; N576-K579 PolarHBondContact O-N 3.28Å; N576-K580 WeakPolarHBondContact O-CB 3.34Å; N576-K580 WeakPolarHBondContact O-CG 3.44Å; N576-K580 PolarHBondContact O-N 2.94Å; N576-K580 WeakPolarHBondContact OD1-CE 3.04Å
577A92.8Very high92.6Very high10 Ų1067.2 Ų67.28%0.08332%0.321CS..Hα-helixtrans-63.7-42.8173.400000112.1S573 F574 E575 K580 N581 Y608S573-A577 PolarHBondContact O-N 3.33Å; F574-A577 PolarHBondContact O-N 3.49Å; E575-A577 VanDerWaalsContact C-N 3.33Å; E575-A577 PolarHBondContact O-N 2.82Å; A577-K580 PolarHBondContact O-N 3.01Å; A577-N581 PolarHBondContact O-N 3.3Å; A577-Y608 HydrophobicContact CB-CD2 3.83Å; A577-Y608 HydrophobicContact CB-CE2 3.78Å
578K91.7Very high92.6Very high152 Ų15267.7 Ų67.766%0.66133%0.327SS*.Hα-helixtrans-63.1-45.5174.8-172.9177.5179.6179.70111.8F574 E575 N581F574-K578 WeakPolarHBondContact O-CB 3.3Å; F574-K578 PolarHBondContact O-N 3.25Å; E575-K578 PolarHBondContact O-N 2.86Å; K578-N581 PolarHBondContact O-N 2.96Å
579K93.9Very high92.8Very high189 Ų18966.6 Ų66.682%0.82232%0.32SS*.Hα-helixtrans-64.4-38.6177.4-174174.5-178.7176.20112.5E575 N576E575-K579 WeakPolarHBondContact O-CB 3.43Å; E575-K579 PolarHBondContact O-N 3.49Å; N576-K579 PolarHBondContact O-N 3.28Å
580K92.7Very high93.1Very high119 Ų11962.5 Ų62.552%0.51730%0.298SS..Hα-helixtrans-72.7-27.7175.5-73.9-178.2176-176.20112.9N576 A577 K582N576-K580 WeakPolarHBondContact O-CB 3.34Å; N576-K580 WeakPolarHBondContact O-CG 3.44Å; N576-K580 PolarHBondContact O-N 2.94Å; N576-K580 WeakPolarHBondContact OD1-CE 3.04Å; A577-K580 PolarHBondContact O-N 3.01Å; K580-K582 VanDerWaalsContact C-N 3.27Å; K580-K582 PolarHBondContact O-N 3.47Å; K580-K582 VanDerWaalsContact O-N 3.16Å
581N93.6Very high93.4Very high65 Ų6553.6 Ų53.635%0.34826%0.259SS..THydrogen-bonded Turntrans51.237.7173.3-158.714.2000114.8P442 G443 A577 K578 R611P442-N581 CarbonylContact C-O 3.16Å; P442-N581 WeakPolarHBondContact CA-O 3.47Å; G443-N581 WeakPolarHBondContact CA-ND2 3.3Å; G443-N581 PolarHBondContact N-O 3.16Å; A577-N581 PolarHBondContact O-N 3.3Å; K578-N581 PolarHBondContact O-N 2.96Å; N581-R611 WeakPolarHBondContact OD1-CD 3.29Å
582K94Very high93.6Very high77 Ų7753.9 Ų53.934%0.33526%0.264SS..  trans-103.399.9-179.4-71179.5174.7-163.10110.9P442 K580 Y584 V585 Q612P442-K582 HydrophobicContact CG-CG 4.27Å; K580-K582 VanDerWaalsContact C-N 3.27Å; K580-K582 PolarHBondContact O-N 3.47Å; K580-K582 VanDerWaalsContact O-N 3.16Å; K582-Y584 VanDerWaalsContact C-N 3.26Å; K582-Y584 HydrophobicContact CB-CD1 4.43Å; K582-Y584 HydrophobicContact CB-CE1 4.04Å; K582-Y584 HydrophobicContact CB-CE2 4.28Å; K582-Y584 HydrophobicContact CD-CE1 4.43Å; K582-Y584 HydrophobicContact CD-CE2 4.03Å; K582-Y584 WeakPolarHBondContact CD-OH 3.39Å; K582-Y584 VanDerWaalsContact CE-OH 3.32Å; K582-Y584 WeakPolarHBondContact CE-OH 3.48Å; K582-Y584 HydrophobicContact CG-CE1 4.02Å; K582-Y584 HydrophobicContact CG-CE2 4.39Å; K582-Y584 PolarHBondContact NZ-OH 3.33Å; K582-Y584 PolarHBondContact O-N 3.38Å; K582-V585 HydrophobicContact CB-CB 4.37Å; K582-V585 HydrophobicContact CB-CG2 3.75Å; K582-V585 HydrophobicContact CD-CG2 4.29Å; K582-V585 PolarHBondContact O-N 3.19Å; K582-Q612 WeakPolarHBondContact O-CG 3.35Å; K582-Q612 PolarHBondContact O-NE2 3.2Å
583S93.3Very high93.7Very high5 Ų552 Ų524%0.03525%0.249CC..THydrogen-bonded Turntrans-64.6-28.2-178.1-46.60000113.7Q444 V585 R611Q444-S583 WeakPolarHBondContact O-CB 3.27Å; Q444-S583 PolarHBondContact O-OG 2.68Å; S583-V585 PolarHBondContact O-N 3.07Å; S583-R611 WeakPolarHBondContact CB-O 3.36Å; S583-R611 WeakPolarHBondContact OG-CG 3.5Å
584Y93.4Very high93.7Very high18 Ų1850.2 Ų50.27%0.07124%0.236CC..THydrogen-bonded Turntrans-77.36.417859.2-98.8000114.8L440 Y565 Q567 K582L440-Y584 HydrophobicContact CB-CD1 4.23Å; L440-Y584 HydrophobicContact CB-CE1 4.04Å; L440-Y584 HydrophobicContact CD2-CD1 4.06Å; L440-Y584 HydrophobicContact CD2-CD2 4.44Å; L440-Y584 HydrophobicContact CD2-CG 3.9Å; L440-Y584 WeakPolarHBondContact O-CE1 3.45Å; L440-Y584 VanDerWaalsContact O-CZ 3.31Å; L440-Y584 PolarHBondContact O-OH 2.94Å; Y565-Y584 CarbonylContact C-O 3.59Å; Y565-Y584 CarbonylContact O-C 3.57Å; Y565-Y584 VanDerWaalsContact O-CA 3.28Å; Y565-Y584 WeakPolarHBondContact O-CA 3.41Å; Q567-Y584 HydrophobicContact CB-CD2 4.48Å; Q567-Y584 HydrophobicContact CG-CD2 4.38Å; Q567-Y584 PolarHBondContact N-O 3.45Å; Q567-Y584 VanDerWaalsContact NE2-CD2 3.35Å; K582-Y584 VanDerWaalsContact C-N 3.26Å; K582-Y584 HydrophobicContact CB-CD1 4.43Å; K582-Y584 HydrophobicContact CB-CE1 4.04Å; K582-Y584 HydrophobicContact CB-CE2 4.28Å; K582-Y584 HydrophobicContact CD-CE1 4.43Å; K582-Y584 HydrophobicContact CD-CE2 4.03Å; K582-Y584 WeakPolarHBondContact CD-OH 3.39Å; K582-Y584 VanDerWaalsContact CE-OH 3.32Å; K582-Y584 WeakPolarHBondContact CE-OH 3.48Å; K582-Y584 HydrophobicContact CG-CE1 4.02Å; K582-Y584 HydrophobicContact CG-CE2 4.39Å; K582-Y584 PolarHBondContact NZ-OH 3.33Å; K582-Y584 PolarHBondContact O-N 3.38Å
585V94.7Very high93.8Very high17 Ų1753.3 Ų53.310%0.10325%0.251CS..EExtended strand (participates in β ladder)trans-102.5119178.2171.90000109.9Q567 N569 K582 S583 Q612Q567-V585 WeakPolarHBondContact O-CA 2.94Å; N569-V585 HydrophobicContact CB-CG1 3.77Å; N569-V585 WeakPolarHBondContact ND2-CG1 3.42Å; K582-V585 HydrophobicContact CB-CB 4.37Å; K582-V585 HydrophobicContact CB-CG2 3.75Å; K582-V585 HydrophobicContact CD-CG2 4.29Å; K582-V585 PolarHBondContact O-N 3.19Å; S583-V585 PolarHBondContact O-N 3.07Å; V585-Q612 PolarHBondContact O-NE2 3.33Å
586I95.4Very high93.9Very high1 Ų147.8 Ų47.81%0.00523%0.233CC..EExtended strand (participates in β ladder)trans-97.7148.6173.9-174.3164.4000110.4I566 Q567 P568 N569 M613 R615 M640I566-I586 HydrophobicContact CG2-CB 4.37Å; I566-I586 HydrophobicContact CG2-CD1 4.06Å; I566-I586 HydrophobicContact CG2-CG2 3.8Å; Q567-I586 PolarHBondContact O-N 3.47Å; P568-I586 WeakPolarHBondContact CA-O 3.47Å; P568-I586 HydrophobicContact CB-CG2 4.26Å; N569-I586 PolarHBondContact N-O 3.17Å; N569-I586 VanDerWaalsContact N-O 3.12Å; I586-M613 WeakPolarHBondContact CA-O 3.49Å; I586-M613 HydrophobicContact CB-CB 4.17Å; I586-M613 HydrophobicContact CD1-CB 3.82Å; I586-M613 HydrophobicContact CG1-CB 3.83Å; I586-M613 WeakPolarHBondContact CG1-O 3.36Å; I586-R615 HydrophobicContact CD1-CB 4.35Å; I586-M640 HydrophobicContact CD1-CE 4.19Å; I586-M640 HydrophobicContact CD1-SD 3.65Å
587S95.1Very high93.9Very high5 Ų546.6 Ų46.64%0.03523%0.226CC..EExtended strand (participates in β ladder)trans-120.1139.8166.5-65.70000110.2N569 F589 Y608 M613 S614 R615N569-S587 PolarHBondContact O-OG 3.02Å; S587-F589 VanDerWaalsContact CB-CZ 3.48Å; S587-Y608 WeakPolarHBondContact CB-OH 3.4Å; S587-Y608 PolarHBondContact N-OH 3.23Å; S587-Y608 PolarHBondContact OG-OH 3.19Å; S587-M613 PolarHBondContact N-O 2.84Å; S587-S614 WeakPolarHBondContact O-CA 3.31Å; S587-R615 PolarHBondContact O-N 2.94Å
588S94.5Very high94Very high38 Ų3846.8 Ų46.827%0.26623%0.225SC..EExtended strand (participates in β ladder)trans-109142.4175.6-54.40000109.6R615S588-R615 CarbonylContact C-O 3.45Å; S588-R615 WeakPolarHBondContact CA-O 3.35Å
589F95.1Very high94Very high0 Ų043.8 Ų43.80%022%0.223CC..EExtended strand (participates in β ladder)trans-140.6136.5-175.9-50-82.6000111.2F571 S587 M597 F605 R615 I616 Y617F571-F589 HydrophobicContact CB-CE1 3.6Å; F571-F589 HydrophobicContact CB-CZ 4.01Å; F571-F589 AromaticContact CD1-CE1 3.85Å; F571-F589 HydrophobicContact CD1-CE1 3.85Å; F571-F589 HydrophobicContact CD1-CZ 4.33Å; F571-F589 HydrophobicContact CD2-CE1 4Å; F571-F589 AromaticContact CD2-CZ 3.68Å; F571-F589 HydrophobicContact CD2-CZ 3.68Å; F571-F589 HydrophobicContact CE1-CE1 4.49Å; F571-F589 HydrophobicContact CE2-CZ 4.17Å; F571-F589 AromaticContact CG-CE1 3.55Å; F571-F589 HydrophobicContact CG-CE1 3.55Å; F571-F589 AromaticContact CG-CZ 3.75Å; F571-F589 HydrophobicContact CG-CZ 3.75Å; S587-F589 VanDerWaalsContact CB-CZ 3.48Å; F589-M597 HydrophobicContact CB-CE 4.37Å; F589-M597 HydrophobicContact CD1-CE 3.45Å; F589-M597 VanDerWaalsContact CD1-CE 3.45Å; F589-M597 HydrophobicContact CD1-SD 4.41Å; F589-M597 HydrophobicContact CD2-CE 4.1Å; F589-M597 HydrophobicContact CE1-CE 3.54Å; F589-M597 HydrophobicContact CE1-SD 4.05Å; F589-M597 HydrophobicContact CE2-CE 4.18Å; F589-M597 HydrophobicContact CG-CE 3.73Å; F589-M597 HydrophobicContact CZ-CE 3.9Å; F589-M597 HydrophobicContact CZ-SD 4.48Å; F589-F605 HydrophobicContact CD2-CZ 4.25Å; F589-F605 HydrophobicContact CE2-CE2 4.21Å; F589-F605 HydrophobicContact CE2-CZ 4.09Å; F589-R615 PolarHBondContact N-O 2.9Å; F589-I616 HydrophobicContact CB-CD1 4.14Å; F589-I616 HydrophobicContact CD2-CD1 4.07Å; F589-I616 WeakPolarHBondContact O-CA 3.31Å; F589-Y617 VanDerWaalsContact O-CD1 3.23Å; F589-Y617 WeakPolarHBondContact O-CD1 3.27Å; F589-Y617 PolarHBondContact O-N 2.83Å
590V94.9Very high93.9Very high3 Ų342.8 Ų42.82%0.01822%0.219CC..EExtended strand (participates in β ladder)trans-64.1148.5164.760.10000110.7D545 E546 T592 R593 G594 Y617 K619D545-V590 WeakPolarHBondContact O-CG2 3.45Å; E546-V590 HydrophobicContact CG-CB 4.2Å; E546-V590 HydrophobicContact CG-CG1 3.68Å; V590-T592 VanDerWaalsContact C-N 3.27Å; V590-T592 PolarHBondContact O-N 3.39Å; V590-T592 VanDerWaalsContact O-N 3.16Å; V590-R593 HydrophobicContact CG1-CB 3.62Å; V590-R593 PolarHBondContact O-N 2.92Å; V590-R593 VanDerWaalsContact O-N 3.15Å; V590-G594 PolarHBondContact O-N 2.94Å; V590-Y617 CarbonylContact C-O 3.59Å; V590-Y617 HydrophobicContact CB-CE2 4.01Å; V590-Y617 HydrophobicContact CG2-CE2 4.48Å; V590-K619 HydrophobicContact CG2-CB 3.55Å
591E94.3Very high93.9Very high3 Ų339.2 Ų39.21%0.01421%0.207CC..Hα-helixtrans-46.6-46.1-176.674.8-170.968.600113.3G594 E595 Y617 P618 K619 R622 Y628 F633E591-G594 CarbonylContact O-C 3.39Å; E591-G594 WeakPolarHBondContact O-CA 3.37Å; E591-G594 PolarHBondContact O-N 3.06Å; E591-G594 VanDerWaalsContact O-N 3.16Å; E591-E595 WeakPolarHBondContact O-CG 3.38Å; E591-E595 PolarHBondContact O-N 3.19Å; E591-Y617 PolarHBondContact N-O 3.14Å; E591-P618 VanDerWaalsContact OE1-CA 3.27Å; E591-P618 WeakPolarHBondContact OE1-CA 3.43Å; E591-K619 HydrophobicContact CG-CB 4.15Å; E591-K619 HydrophobicContact CG-CD 4.05Å; E591-K619 HydrophobicContact CG-CG 4.18Å; E591-K619 PolarHBondContact OE1-N 2.87Å; E591-K619 IonicContact OE2-NZ 3.2Å; E591-R622 VanDerWaalsContact CD-NE 3.29Å; E591-R622 WeakPolarHBondContact OE1-CD 3.34Å; E591-R622 IonicContact OE1-CZ 3.54Å; E591-R622 IonicContact OE1-NE 2.76Å; E591-R622 PolarHBondContact OE1-NE 3.31Å; E591-R622 IonicContact OE1-NH2 3.75Å; E591-R622 IonicContact OE2-CZ 3.2Å; E591-R622 VanDerWaalsContact OE2-CZ 3.31Å; E591-R622 IonicContact OE2-NE 3.51Å; E591-R622 PolarHBondContact OE2-NE 2.65Å; E591-R622 IonicContact OE2-NH2 3.75Å; E591-R622 PolarHBondContact OE2-NH2 3.29Å; E591-Y628 HydrophobicContact CB-CD1 4Å; E591-Y628 HydrophobicContact CB-CG 4.06Å; E591-F633 HydrophobicContact CB-CZ 4.38Å
592T94.1Very high93.9Very high39 Ų3936.6 Ų36.624%0.23919%0.194CC..Hα-helixtrans-66.9-41.1-175.754.70000112.6D545 V590 G594 E595 A596 K619D545-T592 VanDerWaalsContact OD2-CB 3.28Å; D545-T592 WeakPolarHBondContact OD2-CB 3.46Å; D545-T592 WeakPolarHBondContact OD2-CG2 3.4Å; D545-T592 PolarHBondContact OD2-OG1 3.12Å; V590-T592 VanDerWaalsContact C-N 3.27Å; V590-T592 PolarHBondContact O-N 3.39Å; V590-T592 VanDerWaalsContact O-N 3.16Å; T592-G594 VanDerWaalsContact C-N 3.31Å; T592-E595 PolarHBondContact O-N 3.02Å; T592-A596 VanDerWaalsContact O-CB 3.28Å; T592-A596 WeakPolarHBondContact O-CB 3.34Å; T592-A596 PolarHBondContact O-N 3.42Å; T592-K619 HydrophobicContact CG2-CD 3.76Å
593R93.2Very high93.9Very high83 Ų8334.6 Ų34.631%0.31319%0.189SC..Hα-helixtrans-67.2-36174.1-174.8174.3178.9171.90.9110.7E546 V590 M597E546-R593 WeakPolarHBondContact OE1-CD 3.47Å; E546-R593 IonicContact OE1-CZ 3.64Å; E546-R593 IonicContact OE1-NH1 2.75Å; E546-R593 PolarHBondContact OE1-NH1 3.4Å; E546-R593 IonicContact OE2-NH1 2.75Å; V590-R593 HydrophobicContact CG1-CB 3.62Å; V590-R593 PolarHBondContact O-N 2.92Å; V590-R593 VanDerWaalsContact O-N 3.15Å; R593-M597 WeakPolarHBondContact O-CG 3.49Å; R593-M597 PolarHBondContact O-N 3.22Å; R593-M597 VanDerWaalsContact O-N 3.15Å
594G93.4Very high94Very high0 Ų038.7 Ų38.70%021%0.207CC..Hα-helixtrans-63.6-49.917100000112.6V590 E591 T592 A596 M597 I598V590-G594 PolarHBondContact O-N 2.94Å; E591-G594 CarbonylContact O-C 3.39Å; E591-G594 WeakPolarHBondContact O-CA 3.37Å; E591-G594 PolarHBondContact O-N 3.06Å; E591-G594 VanDerWaalsContact O-N 3.16Å; T592-G594 VanDerWaalsContact C-N 3.31Å; G594-A596 VanDerWaalsContact C-N 3.31Å; G594-A596 PolarHBondContact O-N 2.97Å; G594-M597 PolarHBondContact O-N 2.81Å; G594-M597 VanDerWaalsContact O-N 3.07Å; G594-I598 WeakPolarHBondContact O-CG1 3.44Å; G594-I598 PolarHBondContact O-N 3.3Å
595E94.6Very high94.1Very high92 Ų9237.9 Ų37.943%0.4320%0.204SC..Hα-helixtrans-58.9-39.6174.9-72175.6165.100112.2E591 T592 M597 I598 S599 F633E591-E595 WeakPolarHBondContact O-CG 3.38Å; E591-E595 PolarHBondContact O-N 3.19Å; T592-E595 PolarHBondContact O-N 3.02Å; E595-M597 VanDerWaalsContact C-N 3.28Å; E595-M597 PolarHBondContact O-N 3.47Å; E595-I598 PolarHBondContact O-N 3.08Å; E595-S599 WeakPolarHBondContact O-CB 3.5Å; E595-S599 PolarHBondContact O-N 3.22Å; E595-S599 PolarHBondContact O-OG 3Å; E595-F633 HydrophobicContact CG-CZ 3.92Å
596A94.6Very high94.2Very high41 Ų4137.1 Ų37.134%0.33920%0.199SC..Hα-helixtrans-67.9-23.2175.700000113.8T592 G594 S599 K600T592-A596 VanDerWaalsContact O-CB 3.28Å; T592-A596 WeakPolarHBondContact O-CB 3.34Å; T592-A596 PolarHBondContact O-N 3.42Å; G594-A596 VanDerWaalsContact C-N 3.31Å; G594-A596 PolarHBondContact O-N 2.97Å; A596-S599 WeakPolarHBondContact CA-OG 3.32Å; A596-S599 PolarHBondContact O-OG 3.03Å; A596-K600 WeakPolarHBondContact O-CD 3.42Å; A596-K600 VanDerWaalsContact O-CG 3.31Å; A596-K600 WeakPolarHBondContact O-CG 3.44Å
597M93.3Very high94.1Very high21 Ų2139.7 Ų39.710%0.10321%0.211CC..Hα-helixtrans-85.8-40.5170.2-68.9-176.8-59.900111.5F571 F574 F589 R593 G594 E595 S599 K600 T601 F605F571-M597 HydrophobicContact CE1-SD 4.07Å; F571-M597 HydrophobicContact CZ-SD 4.48Å; F574-M597 HydrophobicContact CE2-SD 4.41Å; F574-M597 HydrophobicContact CZ-SD 3.99Å; F589-M597 HydrophobicContact CB-CE 4.37Å; F589-M597 HydrophobicContact CD1-CE 3.45Å; F589-M597 VanDerWaalsContact CD1-CE 3.45Å; F589-M597 HydrophobicContact CD1-SD 4.41Å; F589-M597 HydrophobicContact CD2-CE 4.1Å; F589-M597 HydrophobicContact CE1-CE 3.54Å; F589-M597 HydrophobicContact CE1-SD 4.05Å; F589-M597 HydrophobicContact CE2-CE 4.18Å; F589-M597 HydrophobicContact CG-CE 3.73Å; F589-M597 HydrophobicContact CZ-CE 3.9Å; F589-M597 HydrophobicContact CZ-SD 4.48Å; R593-M597 WeakPolarHBondContact O-CG 3.49Å; R593-M597 PolarHBondContact O-N 3.22Å; R593-M597 VanDerWaalsContact O-N 3.15Å; G594-M597 PolarHBondContact O-N 2.81Å; G594-M597 VanDerWaalsContact O-N 3.07Å; E595-M597 VanDerWaalsContact C-N 3.28Å; E595-M597 PolarHBondContact O-N 3.47Å; M597-S599 VanDerWaalsContact C-N 3.28Å; M597-S599 PolarHBondContact O-N 3.23Å; M597-K600 PolarHBondContact O-N 2.86Å; M597-K600 VanDerWaalsContact O-N 3.16Å; M597-T601 CarbonylContact O-C 3.58Å; M597-T601 WeakPolarHBondContact O-CA 3.38Å; M597-T601 PolarHBondContact O-N 3.2Å; M597-T601 PolarHBondContact O-OG1 3.03Å; M597-T601 VanDerWaalsContact O-OG1 3.13Å; M597-F605 HydrophobicContact CB-CD1 4.08Å; M597-F605 HydrophobicContact CB-CE1 4.15Å; M597-F605 HydrophobicContact CE-CE1 3.73Å; M597-F605 HydrophobicContact CE-CZ 3.84Å
598I94.1Very high94.1Very high15 Ų1539.6 Ų39.68%0.07721%0.21CC..Hα-helixtrans-57.3-43174.8-68.2165.6000110.7G594 E595 K600 A602 F605 P632 F633 V636 F684G594-I598 WeakPolarHBondContact O-CG1 3.44Å; G594-I598 PolarHBondContact O-N 3.3Å; E595-I598 PolarHBondContact O-N 3.08Å; I598-K600 VanDerWaalsContact C-N 3.28Å; I598-K600 PolarHBondContact O-N 2.78Å; I598-A602 WeakPolarHBondContact O-CB 3.38Å; I598-F605 HydrophobicContact CG1-CD1 4.27Å; I598-F605 HydrophobicContact CG1-CE1 4.43Å; I598-P632 HydrophobicContact CD1-CB 4.28Å; I598-F633 HydrophobicContact CD1-CD1 3.59Å; I598-F633 HydrophobicContact CD1-CE1 3.66Å; I598-F633 HydrophobicContact CD1-CG 4.32Å; I598-F633 HydrophobicContact CD1-CZ 4.43Å; I598-V636 HydrophobicContact CD1-CG2 3.96Å; I598-V636 HydrophobicContact CG1-CB 4.49Å; I598-V636 HydrophobicContact CG1-CG1 3.95Å; I598-V636 HydrophobicContact CG1-CG2 3.76Å; I598-V636 HydrophobicContact CG2-CG1 4.36Å; I598-F684 HydrophobicContact CG2-CE2 3.9Å; I598-F684 HydrophobicContact CG2-CZ 3.82Å
599S91.5Very high94.2Very high88 Ų8837.8 Ų37.862%0.61520%0.198SC*.Hα-helixtrans-75.4-6.5-179.351.60000115.4E595 A596 M597E595-S599 WeakPolarHBondContact O-CB 3.5Å; E595-S599 PolarHBondContact O-N 3.22Å; E595-S599 PolarHBondContact O-OG 3Å; A596-S599 WeakPolarHBondContact CA-OG 3.32Å; A596-S599 PolarHBondContact O-OG 3.03Å; M597-S599 VanDerWaalsContact C-N 3.28Å; M597-S599 PolarHBondContact O-N 3.23Å
600K91.8Very high94.2Very high168 Ų16838.5 Ų38.573%0.7320%0.201SC*.Hα-helixtrans-124.6-32-176.8-65.4-179.3-173.5177.50114.5A596 M597 I598A596-K600 WeakPolarHBondContact O-CD 3.42Å; A596-K600 VanDerWaalsContact O-CG 3.31Å; A596-K600 WeakPolarHBondContact O-CG 3.44Å; M597-K600 PolarHBondContact O-N 2.86Å; M597-K600 VanDerWaalsContact O-N 3.16Å; I598-K600 VanDerWaalsContact C-N 3.28Å; I598-K600 PolarHBondContact O-N 2.78Å
601T93.4Very high94.2Very high45 Ų4540.9 Ų40.928%0.27621%0.209SC..Hα-helixtrans-150.744.8-16542.50000111.4M597 V603 E604 F605M597-T601 CarbonylContact O-C 3.58Å; M597-T601 WeakPolarHBondContact O-CA 3.38Å; M597-T601 PolarHBondContact O-N 3.2Å; M597-T601 PolarHBondContact O-OG1 3.03Å; M597-T601 VanDerWaalsContact O-OG1 3.13Å; T601-V603 VanDerWaalsContact C-N 3.33Å; T601-V603 PolarHBondContact O-N 3.04Å; T601-E604 VanDerWaalsContact C-OE2 3.25Å; T601-E604 WeakPolarHBondContact CA-OE2 3.37Å; T601-E604 VanDerWaalsContact CB-OE2 3.31Å; T601-E604 WeakPolarHBondContact CB-OE2 3.27Å; T601-E604 PolarHBondContact O-N 2.82Å; T601-F605 PolarHBondContact O-N 3.16Å; T601-F605 VanDerWaalsContact O-N 3.1Å
602A93.3Very high94.2Very high9 Ų941 Ų417%0.07421%0.21CC..Hα-helixtrans-57.2-43.6-178.200000113I598 F605 V606 V636 P683 F684I598-A602 WeakPolarHBondContact O-CB 3.38Å; A602-F605 WeakPolarHBondContact O-CB 3.13Å; A602-F605 PolarHBondContact O-N 3.33Å; A602-V606 WeakPolarHBondContact O-CG2 3.42Å; A602-V606 PolarHBondContact O-N 2.89Å; A602-V636 HydrophobicContact CB-CG1 4.14Å; A602-P683 HydrophobicContact CB-CG 4.05Å; A602-F684 HydrophobicContact CB-CD2 4.07Å; A602-F684 HydrophobicContact CB-CE2 3.94Å
603V94.3Very high94.3Very high36 Ų3639.2 Ų39.222%0.21820%0.199CC..Hα-helixtrans-68.2-42.6-176.4-174.70000110.8T601 F605 V606 E607 K680 D682T601-V603 VanDerWaalsContact C-N 3.33Å; T601-V603 PolarHBondContact O-N 3.04Å; V603-F605 VanDerWaalsContact C-N 3.26Å; V603-F605 PolarHBondContact O-N 3.39Å; V603-V606 PolarHBondContact O-N 3.41Å; V603-E607 WeakPolarHBondContact O-CG 3.31Å; V603-E607 PolarHBondContact O-N 2.87Å; V603-K680 HydrophobicContact CG1-CB 4.35Å; V603-K680 HydrophobicContact CG1-CD 4.36Å; V603-D682 HydrophobicContact CG2-CB 3.77Å
604E94.6Very high94.5Very high91 Ų9135.2 Ų35.243%0.42518%0.184SC..Hα-helixtrans-62.8-34.8174.5-64.270.5-155.400111.8F574 T601 E607 Y608F574-E604 HydrophobicContact CB-CB 3.95Å; F574-E604 HydrophobicContact CD2-CB 3.49Å; F574-E604 VanDerWaalsContact CD2-CB 3.49Å; F574-E604 HydrophobicContact CD2-CG 4.43Å; F574-E604 HydrophobicContact CE2-CB 4.15Å; F574-E604 HydrophobicContact CG-CB 3.79Å; T601-E604 VanDerWaalsContact C-OE2 3.25Å; T601-E604 WeakPolarHBondContact CA-OE2 3.37Å; T601-E604 VanDerWaalsContact CB-OE2 3.31Å; T601-E604 WeakPolarHBondContact CB-OE2 3.27Å; T601-E604 PolarHBondContact O-N 2.82Å; E604-E607 PolarHBondContact O-N 3.07Å; E604-Y608 WeakPolarHBondContact O-CB 3.36Å; E604-Y608 PolarHBondContact O-N 3.15Å
605F96.3Very high94.8Very high0 Ų035.5 Ų35.50%019%0.185CC..Hα-helixtrans-70-40.7177.5-151.9169.5000111.4F574 F589 M597 I598 T601 A602 V603 Y608 N609 I616 V636 C638F574-F605 HydrophobicContact CE1-CB 4.16Å; F574-F605 AromaticContact CE1-CD2 3.72Å; F574-F605 HydrophobicContact CE1-CD2 3.72Å; F574-F605 HydrophobicContact CE1-CE2 4.32Å; F574-F605 HydrophobicContact CE1-CG 4.01Å; F574-F605 HydrophobicContact CE2-CB 4.33Å; F574-F605 HydrophobicContact CZ-CB 3.71Å; F574-F605 HydrophobicContact CZ-CD1 4.13Å; F574-F605 AromaticContact CZ-CD2 3.8Å; F574-F605 HydrophobicContact CZ-CD2 3.8Å; F574-F605 HydrophobicContact CZ-CE2 4.43Å; F574-F605 AromaticContact CZ-CG 3.62Å; F574-F605 HydrophobicContact CZ-CG 3.62Å; F589-F605 HydrophobicContact CD2-CZ 4.25Å; F589-F605 HydrophobicContact CE2-CE2 4.21Å; F589-F605 HydrophobicContact CE2-CZ 4.09Å; M597-F605 HydrophobicContact CB-CD1 4.08Å; M597-F605 HydrophobicContact CB-CE1 4.15Å; M597-F605 HydrophobicContact CE-CE1 3.73Å; M597-F605 HydrophobicContact CE-CZ 3.84Å; I598-F605 HydrophobicContact CG1-CD1 4.27Å; I598-F605 HydrophobicContact CG1-CE1 4.43Å; T601-F605 PolarHBondContact O-N 3.16Å; T601-F605 VanDerWaalsContact O-N 3.1Å; A602-F605 WeakPolarHBondContact O-CB 3.13Å; A602-F605 PolarHBondContact O-N 3.33Å; V603-F605 VanDerWaalsContact C-N 3.26Å; V603-F605 PolarHBondContact O-N 3.39Å; F605-Y608 HydrophobicContact CD2-CD1 4.33Å; F605-Y608 HydrophobicContact CE2-CD1 4.42Å; F605-Y608 PolarHBondContact O-N 3.4Å; F605-N609 VanDerWaalsContact CD2-ND2 3.34Å; F605-N609 WeakPolarHBondContact CD2-ND2 3.45Å; F605-N609 WeakPolarHBondContact O-CB 3.43Å; F605-N609 PolarHBondContact O-N 2.75Å; F605-N609 PolarHBondContact O-ND2 3Å; F605-I616 HydrophobicContact CZ-CD1 4.33Å; F605-V636 HydrophobicContact CB-CB 4.31Å; F605-V636 HydrophobicContact CD1-CB 4.37Å; F605-V636 HydrophobicContact CD1-CG2 3.94Å; F605-V636 HydrophobicContact CE1-CG2 4.25Å; F605-V636 HydrophobicContact CG-CB 4.36Å; F605-V636 HydrophobicContact CG-CG2 4.29Å; F605-C638 VanDerWaalsContact CZ-SG 3.59Å
606V95.8Very high94.9Very high1 Ų131.1 Ų31.11%0.00616%0.164CC..Hα-helixtrans-59.3-47.5170.6171.60000111.1A602 V603 Y608 N609 K610 V636 M674 F681A602-V606 WeakPolarHBondContact O-CG2 3.42Å; A602-V606 PolarHBondContact O-N 2.89Å; V603-V606 PolarHBondContact O-N 3.41Å; V606-Y608 VanDerWaalsContact C-N 3.33Å; V606-Y608 PolarHBondContact O-N 2.71Å; V606-N609 PolarHBondContact O-N 3.32Å; V606-K610 PolarHBondContact O-N 3.19Å; V606-K610 VanDerWaalsContact O-N 3.17Å; V606-V636 HydrophobicContact CG2-CB 4.21Å; V606-V636 HydrophobicContact CG2-CG1 4.39Å; V606-M674 HydrophobicContact CG2-CE 4.5Å; V606-F681 HydrophobicContact CG1-CB 4.27Å; V606-F681 HydrophobicContact CG1-CD1 4.28Å; V606-F681 HydrophobicContact CG2-CD1 4.25Å
607E94.9Very high95Very high55 Ų5530.2 Ų30.226%0.25715%0.152SC..Hα-helixtrans-66.4-31178.4-67.9-53.1137.700113.5V603 E604 K610 K680V603-E607 WeakPolarHBondContact O-CG 3.31Å; V603-E607 PolarHBondContact O-N 2.87Å; E604-E607 PolarHBondContact O-N 3.07Å; E607-K610 IonicContact OE1-NZ 2.65Å; E607-K610 PolarHBondContact OE1-NZ 3.12Å; E607-K610 IonicContact OE2-NZ 2.88Å; E607-K610 PolarHBondContact OE2-NZ 3.47Å; E607-K680 WeakPolarHBondContact OE1-CA 3.44Å
608Y95.4Very high95.1Very high4 Ų429.4 Ų29.42%0.01615%0.149CC..Hα-helixtrans-65.3-48.9169.4173.5-88.1000110.9F571 F574 A577 S587 E604 F605 V606 K610 R611 Q612 M613F571-Y608 HydrophobicContact CE2-CE2 4.31Å; F574-Y608 AromaticContact CD1-CD2 3.98Å; F574-Y608 HydrophobicContact CD1-CD2 3.98Å; F574-Y608 AromaticContact CD1-CG 3.9Å; F574-Y608 HydrophobicContact CD1-CG 3.9Å; F574-Y608 HydrophobicContact CE1-CD1 4.46Å; F574-Y608 HydrophobicContact CE1-CD2 4.41Å; F574-Y608 HydrophobicContact CE1-CG 4.02Å; A577-Y608 HydrophobicContact CB-CD2 3.83Å; A577-Y608 HydrophobicContact CB-CE2 3.78Å; S587-Y608 WeakPolarHBondContact CB-OH 3.4Å; S587-Y608 PolarHBondContact N-OH 3.23Å; S587-Y608 PolarHBondContact OG-OH 3.19Å; E604-Y608 WeakPolarHBondContact O-CB 3.36Å; E604-Y608 PolarHBondContact O-N 3.15Å; F605-Y608 HydrophobicContact CD2-CD1 4.33Å; F605-Y608 HydrophobicContact CE2-CD1 4.42Å; F605-Y608 PolarHBondContact O-N 3.4Å; V606-Y608 VanDerWaalsContact C-N 3.33Å; V606-Y608 PolarHBondContact O-N 2.71Å; Y608-K610 PolarHBondContact O-N 2.88Å; Y608-K610 VanDerWaalsContact O-N 3.16Å; Y608-R611 PolarHBondContact O-N 3.4Å; Y608-R611 VanDerWaalsContact O-N 3.12Å; Y608-Q612 HydrophobicContact CD1-CB 4.37Å; Y608-Q612 HydrophobicContact CD2-CB 4.28Å; Y608-Q612 HydrophobicContact CE1-CB 3.94Å; Y608-Q612 HydrophobicContact CE2-CB 3.87Å; Y608-Q612 HydrophobicContact CE2-CG 4.39Å; Y608-Q612 PolarHBondContact O-N 2.94Å; Y608-M613 PolarHBondContact OH-O 2.85Å
609N96.6Very high95.1Very high0 Ų031.4 Ų31.40%016%0.157CC..Hα-helixtrans-70.8-4.3-176.8-75.3-31.9000114.8F605 V606 Q612 S614 V636 G637 C638 Q639 K670F605-N609 VanDerWaalsContact CD2-ND2 3.34Å; F605-N609 WeakPolarHBondContact CD2-ND2 3.45Å; F605-N609 WeakPolarHBondContact O-CB 3.43Å; F605-N609 PolarHBondContact O-N 2.75Å; F605-N609 PolarHBondContact O-ND2 3Å; V606-N609 PolarHBondContact O-N 3.32Å; N609-Q612 WeakPolarHBondContact CA-O 3.25Å; N609-S614 WeakPolarHBondContact OD1-CB 3.41Å; N609-S614 PolarHBondContact OD1-OG 2.98Å; N609-V636 PolarHBondContact ND2-O 3.1Å; N609-G637 WeakPolarHBondContact CB-O 3.41Å; N609-C638 PolarHBondContact ND2-N 2.79Å; N609-C638 PolarHBondContact ND2-SG 2.99Å; N609-C638 VanDerWaalsContact ND2-SG 3.38Å; N609-Q639 PolarHBondContact O-NE2 3.24Å; N609-K670 PolarHBondContact O-NZ 2.53Å
610K95.1Very high94.9Very high15 Ų1529.2 Ų29.27%0.06515%0.148CC..Hα-helixtrans-75.4-40166.6-74.2171.7-174.1178.50112.4H318 V606 E607 Y608 V673 M674 R676 K679H318-K610 PolarHBondContact CD2-O 2.84Å; H318-K610 PolarHBondContact NE2-O 3.06Å; V606-K610 PolarHBondContact O-N 3.19Å; V606-K610 VanDerWaalsContact O-N 3.17Å; E607-K610 IonicContact OE1-NZ 2.65Å; E607-K610 PolarHBondContact OE1-NZ 3.12Å; E607-K610 IonicContact OE2-NZ 2.88Å; E607-K610 PolarHBondContact OE2-NZ 3.47Å; Y608-K610 PolarHBondContact O-N 2.88Å; Y608-K610 VanDerWaalsContact O-N 3.16Å; K610-V673 VanDerWaalsContact CE-O 3.29Å; K610-V673 WeakPolarHBondContact CE-O 3.5Å; K610-V673 PolarHBondContact NZ-O 2.86Å; K610-M674 WeakPolarHBondContact CG-O 3.33Å; K610-R676 WeakPolarHBondContact CD-O 3.42Å; K610-R676 VanDerWaalsContact CE-O 3.26Å; K610-R676 WeakPolarHBondContact CE-O 3.41Å; K610-R676 PolarHBondContact NZ-O 3.27Å; K610-K679 PolarHBondContact NZ-O 3.41Å
611R93.3Very high94.7Very high53 Ų5325.3 Ų25.320%0.214%0.138CC..Hα-helixtrans-101.7-35.3-173.9-178.9-172.760.7-91-7.8113.4N581 S583 Y608N581-R611 WeakPolarHBondContact OD1-CD 3.29Å; S583-R611 WeakPolarHBondContact CB-O 3.36Å; S583-R611 WeakPolarHBondContact OG-CG 3.5Å; Y608-R611 PolarHBondContact O-N 3.4Å; Y608-R611 VanDerWaalsContact O-N 3.12Å
612Q95.5Very high94.6Very high6 Ų625.4 Ų25.43%0.02813%0.134CC..SBendtrans-122.1163.1-171.8-74179.2-109.600111K582 V585 Y608 N609 Q639K582-Q612 WeakPolarHBondContact O-CG 3.35Å; K582-Q612 PolarHBondContact O-NE2 3.2Å; V585-Q612 PolarHBondContact O-NE2 3.33Å; Y608-Q612 HydrophobicContact CD1-CB 4.37Å; Y608-Q612 HydrophobicContact CD2-CB 4.28Å; Y608-Q612 HydrophobicContact CE1-CB 3.94Å; Y608-Q612 HydrophobicContact CE2-CB 3.87Å; Y608-Q612 HydrophobicContact CE2-CG 4.39Å; Y608-Q612 PolarHBondContact O-N 2.94Å; N609-Q612 WeakPolarHBondContact CA-O 3.25Å; Q612-Q639 PolarHBondContact O-NE2 2.87Å
613M96.4Very high94.4Very high0 Ų030.1 Ų30.10%016%0.155CC..  trans-94.5144177.2-67.6159.3-6800110.8I316 P317 I446 Y565 I566 I586 S587 Y608 Q639 M640I316-M613 HydrophobicContact CG2-CG 4.38Å; I316-M613 HydrophobicContact CG2-SD 3.65Å; P317-M613 HydrophobicContact CG-CG 4.26Å; I446-M613 HydrophobicContact CD1-CE 3.41Å; I446-M613 VanDerWaalsContact CD1-CE 3.41Å; I446-M613 HydrophobicContact CD1-SD 3.82Å; Y565-M613 WeakPolarHBondContact O-CE 3.35Å; I566-M613 HydrophobicContact CD1-CE 3.72Å; I566-M613 HydrophobicContact CD1-SD 3.74Å; I586-M613 WeakPolarHBondContact CA-O 3.49Å; I586-M613 HydrophobicContact CB-CB 4.17Å; I586-M613 HydrophobicContact CD1-CB 3.82Å; I586-M613 HydrophobicContact CG1-CB 3.83Å; I586-M613 WeakPolarHBondContact CG1-O 3.36Å; S587-M613 PolarHBondContact N-O 2.84Å; Y608-M613 PolarHBondContact OH-O 2.85Å; M613-Q639 VanDerWaalsContact CA-OE1 3.3Å; M613-M640 HydrophobicContact SD-CE 3.98Å
614S97.4Very high94.3Very high0 Ų033.6 Ų33.60%017%0.173CC..EExtended strand (participates in β ladder)trans-119.6141.3163.452.20000110.8S587 N609 C638 Q639 M640S587-S614 WeakPolarHBondContact O-CA 3.31Å; N609-S614 WeakPolarHBondContact OD1-CB 3.41Å; N609-S614 PolarHBondContact OD1-OG 2.98Å; S614-C638 WeakPolarHBondContact OG-CA 3.33Å; S614-C638 WeakPolarHBondContact OG-CB 3.2Å; S614-C638 PolarHBondContact OG-SG 3.49Å; S614-Q639 PolarHBondContact OG-OE1 2.92Å; S614-M640 PolarHBondContact O-N 3.43Å
615R97.9Very high94.3Very high6 Ų629.2 Ų29.22%0.02315%0.152CC..EExtended strand (participates in β ladder)trans-108.7133.6166.5-173.5179.2-169.3-105.4-4109.4S324 E355 I586 S587 S588 F589 M640 A642S324-R615 PolarHBondContact O-NH2 3.08Å; E355-R615 IonicContact OE1-CZ 3.41Å; E355-R615 IonicContact OE1-NH1 2.68Å; E355-R615 PolarHBondContact OE1-NH1 3.36Å; E355-R615 IonicContact OE1-NH2 3.32Å; E355-R615 PolarHBondContact OE1-NH2 3.22Å; E355-R615 VanDerWaalsContact OE1-NH2 3.16Å; E355-R615 IonicContact OE2-CZ 3.66Å; E355-R615 IonicContact OE2-NH1 2.94Å; E355-R615 PolarHBondContact OE2-NH1 3.05Å; E355-R615 IonicContact OE2-NH2 2.62Å; E355-R615 PolarHBondContact OE2-NH2 3.22Å; I586-R615 HydrophobicContact CD1-CB 4.35Å; S587-R615 PolarHBondContact O-N 2.94Å; S588-R615 CarbonylContact C-O 3.45Å; S588-R615 WeakPolarHBondContact CA-O 3.35Å; F589-R615 PolarHBondContact N-O 2.9Å; R615-M640 CarbonylContact C-O 3.55Å; R615-M640 VanDerWaalsContact CA-O 3.28Å; R615-M640 WeakPolarHBondContact CA-O 3.45Å; R615-M640 HydrophobicContact CB-CB 4.03Å; R615-M640 HydrophobicContact CG-CB 4.01Å; R615-M640 WeakPolarHBondContact CG-O 3.33Å; R615-A642 VanDerWaalsContact NH2-CB 3.33Å
616I97.9Very high94.3Very high0 Ų030.3 Ų30.30%016%0.16CC..EExtended strand (participates in β ladder)trans-113.4136.7171.7-48.8-62.7000107.6F589 F605 Y628 F633 C638 M640 A642F589-I616 HydrophobicContact CB-CD1 4.14Å; F589-I616 HydrophobicContact CD2-CD1 4.07Å; F589-I616 WeakPolarHBondContact O-CA 3.31Å; F605-I616 HydrophobicContact CZ-CD1 4.33Å; I616-Y628 HydrophobicContact CG2-CE2 3.99Å; I616-Y628 PolarHBondContact O-OH 2.7Å; I616-F633 HydrophobicContact CB-CD1 4.31Å; I616-F633 HydrophobicContact CB-CG 4.46Å; I616-F633 HydrophobicContact CD1-CD1 3.83Å; I616-F633 HydrophobicContact CD1-CE1 4.22Å; I616-F633 HydrophobicContact CG1-CB 4.15Å; I616-F633 HydrophobicContact CG1-CD1 3.64Å; I616-F633 HydrophobicContact CG1-CE1 4.29Å; I616-F633 HydrophobicContact CG1-CG 3.98Å; I616-F633 HydrophobicContact CG2-CD1 3.86Å; I616-F633 HydrophobicContact CG2-CD2 4.34Å; I616-F633 HydrophobicContact CG2-CE1 3.76Å; I616-F633 HydrophobicContact CG2-CE2 4.25Å; I616-F633 HydrophobicContact CG2-CG 4.14Å; I616-F633 HydrophobicContact CG2-CZ 3.94Å; I616-C638 HydrophobicContact CG1-CB 4.08Å; I616-M640 PolarHBondContact N-O 3.13Å; I616-A642 VanDerWaalsContact O-CB 3.26Å; I616-A642 WeakPolarHBondContact O-CB 3.18Å; I616-A642 PolarHBondContact O-N 2.95Å
617Y96.6Very high94.4Very high21 Ų2130.8 Ų30.88%0.08216%0.162CC..EExtended strand (participates in β ladder)trans-134155.4177.263.5-88.1000111.9F589 V590 E591F589-Y617 VanDerWaalsContact O-CD1 3.23Å; F589-Y617 WeakPolarHBondContact O-CD1 3.27Å; F589-Y617 PolarHBondContact O-N 2.83Å; V590-Y617 CarbonylContact C-O 3.59Å; V590-Y617 HydrophobicContact CB-CE2 4.01Å; V590-Y617 HydrophobicContact CG2-CE2 4.48Å; E591-Y617 PolarHBondContact N-O 3.14Å
618P96.1Very high94.5Very high4 Ų428.3 Ų28.33%0.02615%0.151CC..  trans-66.3151.3179.5-1227.1000111.5H325 E591 Y628H325-P618 HydrophobicContact CB-CG 4.21Å; E591-P618 VanDerWaalsContact OE1-CA 3.27Å; E591-P618 WeakPolarHBondContact OE1-CA 3.43Å; P618-Y628 HydrophobicContact CB-CD1 4.02Å; P618-Y628 HydrophobicContact CB-CE1 4.16Å; P618-Y628 HydrophobicContact CG-CD1 4.06Å; P618-Y628 HydrophobicContact CG-CE1 3.78Å
619K92.6Very high94.5Very high58 Ų5830.5 Ų30.525%0.25217%0.167SC..  trans-74.9150.3176.664.6-168.9-179.7-173.80113.9D545 V590 E591 T592 T621 R622D545-K619 WeakPolarHBondContact OD1-CB 3.43Å; V590-K619 HydrophobicContact CG2-CB 3.55Å; E591-K619 HydrophobicContact CG-CB 4.15Å; E591-K619 HydrophobicContact CG-CD 4.05Å; E591-K619 HydrophobicContact CG-CG 4.18Å; E591-K619 PolarHBondContact OE1-N 2.87Å; E591-K619 IonicContact OE2-NZ 3.2Å; T592-K619 HydrophobicContact CG2-CD 3.76Å; K619-T621 VanDerWaalsContact CD-OG1 3.32Å; K619-T621 WeakPolarHBondContact CD-OG1 3.5Å; K619-T621 VanDerWaalsContact CE-OG1 3.29Å; K619-T621 WeakPolarHBondContact CE-OG1 3.28Å; K619-T621 WeakPolarHBondContact CG-OG1 3.37Å; K619-T621 PolarHBondContact O-N 3.07Å; K619-T621 VanDerWaalsContact O-N 3.08Å; K619-R622 HydrophobicContact CG-CG 4Å; K619-R622 WeakPolarHBondContact O-CB 3.47Å; K619-R622 PolarHBondContact O-N 3.35Å
620G87.1Confident94.6Very high41 Ų4130.5 Ų30.542%0.42317%0.167SC..THydrogen-bonded Turntrans-57.5-25.4-179.300000115.2D545 R622D545-G620 PolarHBondContact O-N 3Å; G620-R622 PolarHBondContact O-N 3.02Å; G620-R622 VanDerWaalsContact O-N 3.16Å
621T88.4Confident94.6Very high87 Ų8730.3 Ų30.353%0.53417%0.166SC..THydrogen-bonded Turntrans-67.9-9.1176.451.70000114.4K619 M623K619-T621 VanDerWaalsContact CD-OG1 3.32Å; K619-T621 WeakPolarHBondContact CD-OG1 3.5Å; K619-T621 VanDerWaalsContact CE-OG1 3.29Å; K619-T621 WeakPolarHBondContact CE-OG1 3.28Å; K619-T621 WeakPolarHBondContact CG-OG1 3.37Å; K619-T621 PolarHBondContact O-N 3.07Å; K619-T621 VanDerWaalsContact O-N 3.08Å; T621-M623 PolarHBondContact O-N 3.44Å; T621-M623 VanDerWaalsContact O-N 3.07Å
622R91.7Very high94.7Very high47 Ų4730.1 Ų30.118%0.17717%0.171CC..  trans-84.358.7173.4-65.4176.1175.2-87.77.6112Q333 E591 K619 G620 D624 S625 S626 N627Q333-R622 WeakPolarHBondContact CG-O 3.37Å; E591-R622 VanDerWaalsContact CD-NE 3.29Å; E591-R622 WeakPolarHBondContact OE1-CD 3.34Å; E591-R622 IonicContact OE1-CZ 3.54Å; E591-R622 IonicContact OE1-NE 2.76Å; E591-R622 PolarHBondContact OE1-NE 3.31Å; E591-R622 IonicContact OE1-NH2 3.75Å; E591-R622 IonicContact OE2-CZ 3.2Å; E591-R622 VanDerWaalsContact OE2-CZ 3.31Å; E591-R622 IonicContact OE2-NE 3.51Å; E591-R622 PolarHBondContact OE2-NE 2.65Å; E591-R622 IonicContact OE2-NH2 3.75Å; E591-R622 PolarHBondContact OE2-NH2 3.29Å; K619-R622 HydrophobicContact CG-CG 4Å; K619-R622 WeakPolarHBondContact O-CB 3.47Å; K619-R622 PolarHBondContact O-N 3.35Å; G620-R622 PolarHBondContact O-N 3.02Å; G620-R622 VanDerWaalsContact O-N 3.16Å; R622-D624 PolarHBondContact O-N 2.84Å; R622-D624 VanDerWaalsContact O-N 3.1Å; R622-S625 PolarHBondContact O-N 3.06Å; R622-S626 WeakPolarHBondContact CD-O 3.37Å; R622-S626 PolarHBondContact NH1-OG 2.78Å; R622-N627 PolarHBondContact NH1-O 2.65Å
623M89.6Confident94.8Very high107 Ų10729.8 Ų29.853%0.52717%0.17SC..THydrogen-bonded Turntrans-61-21.4-177.6-60.8179.97400113.4G332 Q333 F334 T621 S625G332-M623 CarbonylContact C-O 3.57Å; G332-M623 WeakPolarHBondContact CA-O 3.4Å; Q333-M623 PolarHBondContact N-O 3.07Å; F334-M623 HydrophobicContact CB-CE 3.75Å; F334-M623 HydrophobicContact CD2-CE 3.82Å; F334-M623 HydrophobicContact CG-CE 3.86Å; T621-M623 PolarHBondContact O-N 3.44Å; T621-M623 VanDerWaalsContact O-N 3.07Å; M623-S625 VanDerWaalsContact C-N 3.27Å; M623-S625 PolarHBondContact O-N 3.19Å
624D91.3Very high94.9Very high109 Ų10930.2 Ų30.258%0.58317%0.172SC*.THydrogen-bonded Turntrans-78.1-3.2174.668.4-18.9000114.3R622 S626R622-D624 PolarHBondContact O-N 2.84Å; R622-D624 VanDerWaalsContact O-N 3.1Å; D624-S626 PolarHBondContact O-N 3.09Å; D624-S626 WeakPolarHBondContact OD1-CB 3.42Å; D624-S626 PolarHBondContact OD1-N 3.46Å; D624-S626 PolarHBondContact OD1-OG 3.37Å; D624-S626 WeakPolarHBondContact OD2-CB 3.42Å; D624-S626 PolarHBondContact OD2-OG 2.67Å
625S94.5Very high94.8Very high0 Ų030.5 Ų30.50%017%0.173CC..  trans6223.9-170.7-58.50000114.3A331 G332 Q333 R622 M623 N644 Q646 T647A331-S625 PolarHBondContact O-OG 3.01Å; G332-S625 WeakPolarHBondContact CA-OG 3.45Å; Q333-S625 PolarHBondContact N-OG 2.85Å; Q333-S625 PolarHBondContact NE2-OG 2.89Å; R622-S625 PolarHBondContact O-N 3.06Å; M623-S625 VanDerWaalsContact C-N 3.27Å; M623-S625 PolarHBondContact O-N 3.19Å; S625-N644 VanDerWaalsContact O-CB 3.27Å; S625-N644 WeakPolarHBondContact O-CB 3.36Å; S625-N644 PolarHBondContact O-ND2 2.84Å; S625-N644 VanDerWaalsContact O-ND2 3.11Å; S625-Q646 PolarHBondContact OG-NE2 3.39Å; S625-T647 VanDerWaalsContact O-CB 3.29Å; S625-T647 WeakPolarHBondContact O-CB 3.31Å; S625-T647 PolarHBondContact O-OG1 3.43Å
626S96.4Very high94.7Very high22 Ų2230.2 Ų30.215%0.15417%0.172CC..  trans-58.5158169.256.30000112.3R622 D624 N644R622-S626 WeakPolarHBondContact CD-O 3.37Å; R622-S626 PolarHBondContact NH1-OG 2.78Å; D624-S626 PolarHBondContact O-N 3.09Å; D624-S626 WeakPolarHBondContact OD1-CB 3.42Å; D624-S626 PolarHBondContact OD1-N 3.46Å; D624-S626 PolarHBondContact OD1-OG 3.37Å; D624-S626 WeakPolarHBondContact OD2-CB 3.42Å; D624-S626 PolarHBondContact OD2-OG 2.67Å; S626-N644 PolarHBondContact O-ND2 2.99Å; S626-N644 VanDerWaalsContact O-ND2 3.08Å
627N97.6Very high94.7Very high11 Ų1130.2 Ų30.26%0.05917%0.172CC..  trans-104.2157.6176-69-57.3000113.3R622 L643 N644 T647 D649 P651R622-N627 PolarHBondContact NH1-O 2.65Å; N627-L643 HydrophobicContact CB-CD2 4.18Å; N627-L643 WeakPolarHBondContact OD1-CB 3.13Å; N627-N644 PolarHBondContact ND2-O 3.5Å; N627-N644 PolarHBondContact OD1-N 3.35Å; N627-T647 PolarHBondContact ND2-O 3.38Å; N627-D649 VanDerWaalsContact CB-OD2 3.3Å; N627-D649 WeakPolarHBondContact CB-OD2 3.37Å; N627-D649 PolarHBondContact N-OD2 3.33Å; N627-D649 PolarHBondContact ND2-OD1 2.8Å; N627-D649 PolarHBondContact ND2-OD2 3.43Å; N627-P651 HydrophobicContact CB-CB 3.47Å; N627-P651 VanDerWaalsContact CB-CB 3.47Å; N627-P651 HydrophobicContact CB-CG 3.75Å
628Y97.1Very high94.8Very high4 Ų429.2 Ų29.22%0.01617%0.168CC..  trans-90.3162.5164.262.3-92.4000110.1E591 I616 P618 P630 F633 V641 A642 L643 P651E591-Y628 HydrophobicContact CB-CD1 4Å; E591-Y628 HydrophobicContact CB-CG 4.06Å; I616-Y628 HydrophobicContact CG2-CE2 3.99Å; I616-Y628 PolarHBondContact O-OH 2.7Å; P618-Y628 HydrophobicContact CB-CD1 4.02Å; P618-Y628 HydrophobicContact CB-CE1 4.16Å; P618-Y628 HydrophobicContact CG-CD1 4.06Å; P618-Y628 HydrophobicContact CG-CE1 3.78Å; Y628-P630 WeakPolarHBondContact O-CD 3.37Å; Y628-F633 AromaticContact CD2-CD2 3.81Å; Y628-F633 HydrophobicContact CD2-CD2 3.81Å; Y628-F633 AromaticContact CD2-CE2 3.39Å; Y628-F633 HydrophobicContact CD2-CE2 3.39Å; Y628-F633 HydrophobicContact CD2-CZ 4.36Å; Y628-F633 AromaticContact CE2-CD2 3.57Å; Y628-F633 HydrophobicContact CE2-CD2 3.57Å; Y628-F633 AromaticContact CE2-CE2 3.55Å; Y628-F633 HydrophobicContact CE2-CE2 3.55Å; Y628-F633 HydrophobicContact CE2-CZ 4.46Å; Y628-F633 HydrophobicContact CG-CE2 4.41Å; Y628-V641 HydrophobicContact CE2-CG1 3.62Å; Y628-V641 VanDerWaalsContact OH-CG1 3.27Å; Y628-V641 WeakPolarHBondContact OH-CG1 3.43Å; Y628-A642 WeakPolarHBondContact CE1-O 3.28Å; Y628-A642 PolarHBondContact OH-N 3.21Å; Y628-A642 PolarHBondContact OH-O 2.86Å; Y628-L643 HydrophobicContact CD1-CD2 4.37Å; Y628-L643 HydrophobicContact CD2-CD2 4.5Å; Y628-L643 HydrophobicContact CE1-CD2 3.92Å; Y628-L643 HydrophobicContact CE2-CD2 4.11Å; Y628-P651 VanDerWaalsContact O-CB 3.27Å; Y628-P651 WeakPolarHBondContact O-CB 3.45Å; Y628-P651 VanDerWaalsContact O-CG 3.31Å; Y628-P651 WeakPolarHBondContact O-CG 3.33Å
629S96.1Very high94.9Very high50 Ų5029 Ų2935%0.3517%0.167SC..  trans-72.4124.3176.7-175.90000110.6P632 F633S629-P632 VanDerWaalsContact O-CD 3.31Å; S629-P632 WeakPolarHBondContact O-CD 3.23Å; S629-F633 WeakPolarHBondContact O-CD2 3.47Å
630P97.3Very high95.1Very high0 Ų026.3 Ų26.30%016%0.155CC..SBendtrans-77.5-22.8-177.530.9-36.5000113.2Y628 F633 W634 V641 L643 L654Y628-P630 WeakPolarHBondContact O-CD 3.37Å; P630-F633 WeakPolarHBondContact O-CB 3.24Å; P630-F633 PolarHBondContact O-N 3.17Å; P630-F633 VanDerWaalsContact O-N 3.08Å; P630-W634 HydrophobicContact CB-CD2 4.11Å; P630-W634 HydrophobicContact CB-CE3 4.03Å; P630-W634 HydrophobicContact CB-CH2 3.56Å; P630-W634 HydrophobicContact CB-CZ2 3.64Å; P630-W634 HydrophobicContact CB-CZ3 3.75Å; P630-W634 HydrophobicContact CG-CE3 4.14Å; P630-W634 HydrophobicContact CG-CH2 3.4Å; P630-W634 VanDerWaalsContact CG-CH2 3.4Å; P630-W634 HydrophobicContact CG-CZ2 4.03Å; P630-W634 HydrophobicContact CG-CZ3 3.46Å; P630-W634 VanDerWaalsContact CG-CZ3 3.46Å; P630-W634 PolarHBondContact O-N 2.89Å; P630-V641 HydrophobicContact CB-CG1 3.66Å; P630-L643 HydrophobicContact CG-CD1 4.47Å; P630-L654 HydrophobicContact CG-CD2 4.09Å
631Q95.9Very high95.7Very high11 Ų1124.5 Ų24.55%0.05114%0.136CC..Hα-helixtrans-56.5-45.4-172.9-169.773.437.600114F633 W634 N635 I720 G721 M760Q631-F633 PolarHBondContact O-N 3.44Å; Q631-W634 PolarHBondContact O-N 3.13Å; Q631-N635 PolarHBondContact NE2-OD1 3.36Å; Q631-N635 WeakPolarHBondContact O-CB 3.1Å; Q631-N635 PolarHBondContact O-N 3.21Å; Q631-N635 PolarHBondContact O-ND2 2.91Å; Q631-N635 PolarHBondContact O-OD1 3.22Å; Q631-I720 HydrophobicContact CB-CG2 4.14Å; Q631-I720 HydrophobicContact CG-CG2 3.96Å; Q631-G721 WeakPolarHBondContact CG-O 3.44Å; Q631-M760 PolarHBondContact NE2-O 3.3Å; Q631-M760 VanDerWaalsContact NE2-O 3.1Å
632P96.2Very high96.1Very high48 Ų4820.3 Ų20.331%0.31211%0.11SC..Hα-helixtrans-58.8-32.4177.7-24.136000113.5I598 S629 N635 V636I598-P632 HydrophobicContact CD1-CB 4.28Å; S629-P632 VanDerWaalsContact O-CD 3.31Å; S629-P632 WeakPolarHBondContact O-CD 3.23Å; P632-N635 PolarHBondContact O-N 3.43Å; P632-V636 PolarHBondContact O-N 3.12Å
633F97.8Very high96.5Very high0 Ų018.1 Ų18.10%010%0.102CC..Hα-helixtrans-78.1-38.7178.4-58-75.9000111.9E591 E595 I598 I616 Y628 S629 P630 Q631 N635 V636 G637 C638 V641E591-F633 HydrophobicContact CB-CZ 4.38Å; E595-F633 HydrophobicContact CG-CZ 3.92Å; I598-F633 HydrophobicContact CD1-CD1 3.59Å; I598-F633 HydrophobicContact CD1-CE1 3.66Å; I598-F633 HydrophobicContact CD1-CG 4.32Å; I598-F633 HydrophobicContact CD1-CZ 4.43Å; I616-F633 HydrophobicContact CB-CD1 4.31Å; I616-F633 HydrophobicContact CB-CG 4.46Å; I616-F633 HydrophobicContact CD1-CD1 3.83Å; I616-F633 HydrophobicContact CD1-CE1 4.22Å; I616-F633 HydrophobicContact CG1-CB 4.15Å; I616-F633 HydrophobicContact CG1-CD1 3.64Å; I616-F633 HydrophobicContact CG1-CE1 4.29Å; I616-F633 HydrophobicContact CG1-CG 3.98Å; I616-F633 HydrophobicContact CG2-CD1 3.86Å; I616-F633 HydrophobicContact CG2-CD2 4.34Å; I616-F633 HydrophobicContact CG2-CE1 3.76Å; I616-F633 HydrophobicContact CG2-CE2 4.25Å; I616-F633 HydrophobicContact CG2-CG 4.14Å; I616-F633 HydrophobicContact CG2-CZ 3.94Å; Y628-F633 AromaticContact CD2-CD2 3.81Å; Y628-F633 HydrophobicContact CD2-CD2 3.81Å; Y628-F633 AromaticContact CD2-CE2 3.39Å; Y628-F633 HydrophobicContact CD2-CE2 3.39Å; Y628-F633 HydrophobicContact CD2-CZ 4.36Å; Y628-F633 AromaticContact CE2-CD2 3.57Å; Y628-F633 HydrophobicContact CE2-CD2 3.57Å; Y628-F633 AromaticContact CE2-CE2 3.55Å; Y628-F633 HydrophobicContact CE2-CE2 3.55Å; Y628-F633 HydrophobicContact CE2-CZ 4.46Å; Y628-F633 HydrophobicContact CG-CE2 4.41Å; S629-F633 WeakPolarHBondContact O-CD2 3.47Å; P630-F633 WeakPolarHBondContact O-CB 3.24Å; P630-F633 PolarHBondContact O-N 3.17Å; P630-F633 VanDerWaalsContact O-N 3.08Å; Q631-F633 PolarHBondContact O-N 3.44Å; F633-N635 VanDerWaalsContact C-N 3.28Å; F633-N635 PolarHBondContact O-N 3.22Å; F633-V636 WeakPolarHBondContact O-CG2 3.37Å; F633-V636 PolarHBondContact O-N 3.29Å; F633-G637 PolarHBondContact O-N 2.93Å; F633-C638 HydrophobicContact CB-CB 4.12Å; F633-C638 VanDerWaalsContact O-CB 3.31Å; F633-C638 WeakPolarHBondContact O-CB 3.21Å; F633-C638 PolarHBondContact O-N 3.48Å; F633-V641 HydrophobicContact CB-CG1 4.21Å; F633-V641 HydrophobicContact CB-CG2 3.77Å; F633-V641 HydrophobicContact CD2-CG1 4.48Å
634W97.6Very high96.8Very high9 Ų913 Ų133%0.0348%0.077CC..Hα-helixtrans-63.3-35.4169-65-33000111.9F320 P630 Q631 V636 G637 L654 L658 F659 M674 M760F320-W634 HydrophobicContact CD1-CB 4.22Å; F320-W634 AromaticContact CD1-CD1 3.42Å; F320-W634 VanDerWaalsContact CD1-CD1 3.42Å; F320-W634 HydrophobicContact CD1-CG 4.02Å; F320-W634 HydrophobicContact CE1-CB 3.69Å; F320-W634 AromaticContact CE1-CD1 3.78Å; F320-W634 HydrophobicContact CE1-CG 4.01Å; F320-W634 WeakPolarHBondContact CE1-O 3.19Å; F320-W634 HydrophobicContact CE2-CB 4.5Å; F320-W634 AromaticContact CG-CD1 3.96Å; F320-W634 HydrophobicContact CG-CG 4.44Å; F320-W634 HydrophobicContact CZ-CB 3.85Å; F320-W634 HydrophobicContact CZ-CG 4.42Å; F320-W634 WeakPolarHBondContact CZ-O 3.39Å; P630-W634 HydrophobicContact CB-CD2 4.11Å; P630-W634 HydrophobicContact CB-CE3 4.03Å; P630-W634 HydrophobicContact CB-CH2 3.56Å; P630-W634 HydrophobicContact CB-CZ2 3.64Å; P630-W634 HydrophobicContact CB-CZ3 3.75Å; P630-W634 HydrophobicContact CG-CE3 4.14Å; P630-W634 HydrophobicContact CG-CH2 3.4Å; P630-W634 VanDerWaalsContact CG-CH2 3.4Å; P630-W634 HydrophobicContact CG-CZ2 4.03Å; P630-W634 HydrophobicContact CG-CZ3 3.46Å; P630-W634 VanDerWaalsContact CG-CZ3 3.46Å; P630-W634 PolarHBondContact O-N 2.89Å; Q631-W634 PolarHBondContact O-N 3.13Å; W634-V636 VanDerWaalsContact C-N 3.31Å; W634-V636 PolarHBondContact O-N 3.25Å; W634-G637 WeakPolarHBondContact O-CA 3.03Å; W634-G637 PolarHBondContact O-N 2.91Å; W634-L654 HydrophobicContact CZ3-CD2 4.06Å; W634-L654 HydrophobicContact CZ3-CG 4.09Å; W634-L658 HydrophobicContact CE3-CD1 4.01Å; W634-L658 HydrophobicContact CH2-CD1 3.79Å; W634-L658 HydrophobicContact CZ3-CD1 3.32Å; W634-F659 HydrophobicContact CZ2-CE2 4.1Å; W634-M674 WeakPolarHBondContact O-CE 3.48Å; W634-M760 WeakPolarHBondContact O-CE 3.47Å
635N95.7Very high97.1Very high5 Ų57.9 Ų7.93%0.0275%0.049CC..Hα-helixtrans-64.4-28176.5-65-14.7000113.5Q631 P632 F633 M674 P683 G721 L722Q631-N635 PolarHBondContact NE2-OD1 3.36Å; Q631-N635 WeakPolarHBondContact O-CB 3.1Å; Q631-N635 PolarHBondContact O-N 3.21Å; Q631-N635 PolarHBondContact O-ND2 2.91Å; Q631-N635 PolarHBondContact O-OD1 3.22Å; P632-N635 PolarHBondContact O-N 3.43Å; F633-N635 VanDerWaalsContact C-N 3.28Å; F633-N635 PolarHBondContact O-N 3.22Å; N635-M674 WeakPolarHBondContact O-CE 3.35Å; N635-P683 HydrophobicContact CB-CB 4.14Å; N635-G721 PolarHBondContact ND2-O 3.21Å; N635-L722 HydrophobicContact CB-CD2 4.09Å
636V96.4Very high97.1Very high1 Ų19.2 Ų9.21%0.0066%0.055CC..THydrogen-bonded Turntrans-93.57.6166.7-690000113.8I598 A602 F605 V606 N609 P632 F633 W634 P683I598-V636 HydrophobicContact CD1-CG2 3.96Å; I598-V636 HydrophobicContact CG1-CB 4.49Å; I598-V636 HydrophobicContact CG1-CG1 3.95Å; I598-V636 HydrophobicContact CG1-CG2 3.76Å; I598-V636 HydrophobicContact CG2-CG1 4.36Å; A602-V636 HydrophobicContact CB-CG1 4.14Å; F605-V636 HydrophobicContact CB-CB 4.31Å; F605-V636 HydrophobicContact CD1-CB 4.37Å; F605-V636 HydrophobicContact CD1-CG2 3.94Å; F605-V636 HydrophobicContact CE1-CG2 4.25Å; F605-V636 HydrophobicContact CG-CB 4.36Å; F605-V636 HydrophobicContact CG-CG2 4.29Å; V606-V636 HydrophobicContact CG2-CB 4.21Å; V606-V636 HydrophobicContact CG2-CG1 4.39Å; N609-V636 PolarHBondContact ND2-O 3.1Å; P632-V636 PolarHBondContact O-N 3.12Å; F633-V636 WeakPolarHBondContact O-CG2 3.37Å; F633-V636 PolarHBondContact O-N 3.29Å; W634-V636 VanDerWaalsContact C-N 3.31Å; W634-V636 PolarHBondContact O-N 3.25Å; V636-P683 HydrophobicContact CG1-CG 3.95Å
637G96.5Very high97.1Very high0 Ų09.7 Ų9.70%06%0.058CC..THydrogen-bonded Turntrans83.912.8171.200000115.6N609 F633 W634 Q639 K670 M674N609-G637 WeakPolarHBondContact CB-O 3.41Å; F633-G637 PolarHBondContact O-N 2.93Å; W634-G637 WeakPolarHBondContact O-CA 3.03Å; W634-G637 PolarHBondContact O-N 2.91Å; G637-Q639 PolarHBondContact O-N 3.25Å; G637-K670 PolarHBondContact O-NZ 2.97Å; G637-M674 VanDerWaalsContact N-CE 3.3Å
638C98.2Very high96.9Very high0 Ų010.8 Ų10.80%06%0.063CC..  trans-61.5130.5179.3-62.70000110.8F320 F605 N609 S614 I616 F633 V641F320-C638 WeakPolarHBondContact CD1-O 3.49Å; F605-C638 VanDerWaalsContact CZ-SG 3.59Å; N609-C638 PolarHBondContact ND2-N 2.79Å; N609-C638 PolarHBondContact ND2-SG 2.99Å; N609-C638 VanDerWaalsContact ND2-SG 3.38Å; S614-C638 WeakPolarHBondContact OG-CA 3.33Å; S614-C638 WeakPolarHBondContact OG-CB 3.2Å; S614-C638 PolarHBondContact OG-SG 3.49Å; I616-C638 HydrophobicContact CG1-CB 4.08Å; F633-C638 HydrophobicContact CB-CB 4.12Å; F633-C638 VanDerWaalsContact O-CB 3.31Å; F633-C638 WeakPolarHBondContact O-CB 3.21Å; F633-C638 PolarHBondContact O-N 3.48Å; C638-V641 HydrophobicContact CB-CG2 3.97Å
639Q98.2Very high96.8Very high0 Ų012.4 Ų12.40%07%0.072CC..SBendtrans-86.1-48.6-170.2-56.888-10.400112.2P317 Y319 I321 N609 Q612 M613 S614 G637 V641P317-Q639 WeakPolarHBondContact O-CG 3.42Å; P317-Q639 PolarHBondContact O-NE2 3.45Å; Y319-Q639 WeakPolarHBondContact O-CB 3.28Å; Y319-Q639 WeakPolarHBondContact O-CG 3.32Å; I321-Q639 HydrophobicContact CD1-CB 4.06Å; I321-Q639 HydrophobicContact CG1-CB 4.17Å; I321-Q639 PolarHBondContact N-O 3.29Å; N609-Q639 PolarHBondContact O-NE2 3.24Å; Q612-Q639 PolarHBondContact O-NE2 2.87Å; M613-Q639 VanDerWaalsContact CA-OE1 3.3Å; S614-Q639 PolarHBondContact OG-OE1 2.92Å; G637-Q639 PolarHBondContact O-N 3.25Å; Q639-V641 PolarHBondContact O-N 2.92Å
640M98.2Very high96.8Very high1 Ų112.7 Ų12.71%0.0057%0.067CC..EExtended strand (participates in β ladder)trans-102.570.5-173-61.8178.1-169.600111I321 S323 C353 V402 I586 M613 S614 R615 I616 A642I321-M640 HydrophobicContact CB-CG 4.32Å; I321-M640 HydrophobicContact CD1-CE 3.83Å; I321-M640 HydrophobicContact CD1-CG 4.16Å; S323-M640 VanDerWaalsContact OG-CA 3.3Å; S323-M640 WeakPolarHBondContact OG-CA 3.41Å; C353-M640 HydrophobicContact CB-CG 4.48Å; C353-M640 HydrophobicContact CB-SD 4.45Å; V402-M640 HydrophobicContact CB-CE 4.38Å; V402-M640 HydrophobicContact CG1-CE 4.24Å; V402-M640 HydrophobicContact CG1-SD 4.48Å; V402-M640 HydrophobicContact CG2-CE 3.94Å; I586-M640 HydrophobicContact CD1-CE 4.19Å; I586-M640 HydrophobicContact CD1-SD 3.65Å; M613-M640 HydrophobicContact SD-CE 3.98Å; S614-M640 PolarHBondContact O-N 3.43Å; R615-M640 CarbonylContact C-O 3.55Å; R615-M640 VanDerWaalsContact CA-O 3.28Å; R615-M640 WeakPolarHBondContact CA-O 3.45Å; R615-M640 HydrophobicContact CB-CB 4.03Å; R615-M640 HydrophobicContact CG-CB 4.01Å; R615-M640 WeakPolarHBondContact CG-O 3.33Å; I616-M640 PolarHBondContact N-O 3.13Å; M640-A642 PolarHBondContact O-N 3.1Å
641V98.4Very high96.8Very high2 Ų213.3 Ų13.31%0.0127%0.071CC..EExtended strand (participates in β ladder)trans-8396.7177.6-173.50000108.3Y628 P630 F633 C638 Q639Y628-V641 HydrophobicContact CE2-CG1 3.62Å; Y628-V641 VanDerWaalsContact OH-CG1 3.27Å; Y628-V641 WeakPolarHBondContact OH-CG1 3.43Å; P630-V641 HydrophobicContact CB-CG1 3.66Å; F633-V641 HydrophobicContact CB-CG1 4.21Å; F633-V641 HydrophobicContact CB-CG2 3.77Å; F633-V641 HydrophobicContact CD2-CG1 4.48Å; C638-V641 HydrophobicContact CB-CG2 3.97Å; Q639-V641 PolarHBondContact O-N 2.92Å
642A98.3Very high96.9Very high0 Ų012.8 Ų12.80%07%0.068CC..EExtended strand (participates in β ladder)trans-90.3132-16900000112.4H325 R615 I616 Y628 M640H325-A642 HydrophobicContact CB-CB 4.04Å; R615-A642 VanDerWaalsContact NH2-CB 3.33Å; I616-A642 VanDerWaalsContact O-CB 3.26Å; I616-A642 WeakPolarHBondContact O-CB 3.18Å; I616-A642 PolarHBondContact O-N 2.95Å; Y628-A642 WeakPolarHBondContact CE1-O 3.28Å; Y628-A642 PolarHBondContact OH-N 3.21Å; Y628-A642 PolarHBondContact OH-O 2.86Å; M640-A642 PolarHBondContact O-N 3.1Å
643L98.4Very high97Very high0 Ų011.1 Ų11.10%06%0.056CC..EExtended strand (participates in β ladder)trans-127162.1-175.1-59.2179.7000111.5S323 S324 H325 N627 Y628 P630 Y645 P651 M652 N655S323-L643 PolarHBondContact O-N 3.34Å; S324-L643 WeakPolarHBondContact CA-O 3.34Å; H325-L643 PolarHBondContact N-O 3.36Å; N627-L643 HydrophobicContact CB-CD2 4.18Å; N627-L643 WeakPolarHBondContact OD1-CB 3.13Å; Y628-L643 HydrophobicContact CD1-CD2 4.37Å; Y628-L643 HydrophobicContact CD2-CD2 4.5Å; Y628-L643 HydrophobicContact CE1-CD2 3.92Å; Y628-L643 HydrophobicContact CE2-CD2 4.11Å; P630-L643 HydrophobicContact CG-CD1 4.47Å; L643-Y645 HydrophobicContact CB-CE2 4.34Å; L643-Y645 VanDerWaalsContact O-CD2 3.24Å; L643-Y645 WeakPolarHBondContact O-CD2 3.46Å; L643-P651 HydrophobicContact CD1-CB 4.43Å; L643-M652 HydrophobicContact CB-CE 3.5Å; L643-M652 HydrophobicContact CD1-CE 4.05Å; L643-M652 HydrophobicContact CG-CE 4.45Å; L643-N655 HydrophobicContact CD1-CB 3.82Å
644N97.9Very high97Very high1 Ų111.1 Ų11.11%0.0056%0.056CC..  trans-83.1109.3175.9-65.5-42.8000110.4H325 Q333 S625 S626 N627 Q646 T647 M652H325-N644 PolarHBondContact ND1-OD1 3.3Å; Q333-N644 PolarHBondContact NE2-OD1 3.25Å; S625-N644 VanDerWaalsContact O-CB 3.27Å; S625-N644 WeakPolarHBondContact O-CB 3.36Å; S625-N644 PolarHBondContact O-ND2 2.84Å; S625-N644 VanDerWaalsContact O-ND2 3.11Å; S626-N644 PolarHBondContact O-ND2 2.99Å; S626-N644 VanDerWaalsContact O-ND2 3.08Å; N627-N644 PolarHBondContact ND2-O 3.5Å; N627-N644 PolarHBondContact OD1-N 3.35Å; N644-Q646 PolarHBondContact O-N 3.44Å; N644-T647 PolarHBondContact O-N 3.47Å; N644-M652 WeakPolarHBondContact O-CE 3.48Å
645Y96.9Very high97Very high1 Ų110.7 Ų10.70%0.0046%0.055CC..THydrogen-bonded Turntrans-80.2-15.7-169.3-85.5-130.6000114M107 K322 S323 C346 C351 L643 M648 M652 N655M107-Y645 HydrophobicContact CE-CD1 3.71Å; M107-Y645 HydrophobicContact CE-CE1 4.24Å; M107-Y645 HydrophobicContact SD-CD1 3.81Å; K322-Y645 WeakPolarHBondContact CE-OH 3.29Å; K322-Y645 WeakPolarHBondContact CG-OH 3.49Å; S323-Y645 WeakPolarHBondContact O-CE2 3.26Å; S323-Y645 PolarHBondContact O-OH 3.38Å; C346-Y645 HydrophobicContact CB-CD1 4.28Å; C346-Y645 WeakPolarHBondContact SG-CD1 3.15Å; C351-Y645 HydrophobicContact CB-CE1 4.02Å; L643-Y645 HydrophobicContact CB-CE2 4.34Å; L643-Y645 VanDerWaalsContact O-CD2 3.24Å; L643-Y645 WeakPolarHBondContact O-CD2 3.46Å; Y645-M648 WeakPolarHBondContact O-CE 3.49Å; Y645-M652 HydrophobicContact CD2-CE 3.54Å; Y645-M652 HydrophobicContact CD2-SD 4.25Å; Y645-M652 HydrophobicContact CE2-CE 3.7Å; Y645-M652 HydrophobicContact CE2-SD 4.24Å; Y645-M652 HydrophobicContact CG-CE 4.14Å; Y645-M652 HydrophobicContact CG-SD 4.41Å; Y645-N655 PolarHBondContact OH-ND2 3.1Å
646Q94.3Very high97Very high27 Ų2711.2 Ų11.213%0.1266%0.057CC..THydrogen-bonded Turntrans-70.2-20.4169.665.8-86.150.600113V108 T330 A331 M342 S625 N644V108-Q646 HydrophobicContact CG2-CB 3.91Å; T330-Q646 WeakPolarHBondContact O-CB 3.37Å; A331-Q646 WeakPolarHBondContact O-CG 3.3Å; A331-Q646 PolarHBondContact O-NE2 3.35Å; M342-Q646 HydrophobicContact CE-CB 4.26Å; S625-Q646 PolarHBondContact OG-NE2 3.39Å; N644-Q646 PolarHBondContact O-N 3.44Å
647T95.8Very high97Very high33 Ų3311.3 Ų11.320%0.2026%0.058CC..  trans-107.1102.2-173.2-49.30000110.7S625 N627 N644 D649 M652S625-T647 VanDerWaalsContact O-CB 3.29Å; S625-T647 WeakPolarHBondContact O-CB 3.31Å; S625-T647 PolarHBondContact O-OG1 3.43Å; N627-T647 PolarHBondContact ND2-O 3.38Å; N644-T647 PolarHBondContact O-N 3.47Å; T647-D649 HydrophobicContact CG2-CB 4.12Å; T647-D649 PolarHBondContact O-N 3.06Å; T647-M652 WeakPolarHBondContact O-CB 3.1Å
648M94.5Very high97Very high33 Ų3312.4 Ų12.416%0.1636%0.064CC..  trans-82.242.8-177.8-65.3-70.2169.100113.5D106 M107 Y645 M652 Q653 E797D106-M648 HydrophobicContact CB-CE 4.14Å; D106-M648 HydrophobicContact CB-CG 4.28Å; M107-M648 HydrophobicContact CE-CE 4.19Å; M107-M648 HydrophobicContact CG-CE 4Å; Y645-M648 WeakPolarHBondContact O-CE 3.49Å; M648-M652 HydrophobicContact SD-CG 3.7Å; M648-Q653 PolarHBondContact O-NE2 3.16Å; M648-E797 HydrophobicContact CB-CB 3.81Å
649D95.3Very high96.9Very high39 Ų3912.8 Ų12.821%0.2097%0.065CC..SBendtrans-73.7179.2176.563.412000112.7N627 T647 P651 M652 Q653N627-D649 VanDerWaalsContact CB-OD2 3.3Å; N627-D649 WeakPolarHBondContact CB-OD2 3.37Å; N627-D649 PolarHBondContact N-OD2 3.33Å; N627-D649 PolarHBondContact ND2-OD1 2.8Å; N627-D649 PolarHBondContact ND2-OD2 3.43Å; T647-D649 HydrophobicContact CG2-CB 4.12Å; T647-D649 PolarHBondContact O-N 3.06Å; D649-P651 WeakPolarHBondContact OD1-CD 3.37Å; D649-M652 PolarHBondContact O-N 3.21Å; D649-M652 PolarHBondContact OD1-N 2.86Å; D649-Q653 WeakPolarHBondContact O-CG 3.44Å; D649-Q653 PolarHBondContact O-N 3.13Å
650F95.6Very high96.8Very high56 Ų5613 Ų1325%0.2467%0.066CC..Hα-helixtrans-55.8-46.5-177.9161.5-124.7000113.8M652 Q653 L654 I720 R764F650-M652 VanDerWaalsContact C-N 3.29Å; F650-M652 PolarHBondContact O-N 3.34Å; F650-Q653 WeakPolarHBondContact O-CB 3.49Å; F650-Q653 PolarHBondContact O-N 2.8Å; F650-L654 HydrophobicContact CE2-CB 4.24Å; F650-L654 HydrophobicContact CZ-CD2 4.41Å; F650-L654 PolarHBondContact O-N 3.34Å; F650-I720 HydrophobicContact CE2-CD1 3.54Å; F650-I720 HydrophobicContact CZ-CD1 3.55Å; F650-I720 HydrophobicContact CZ-CG1 4.06Å; F650-R764 VanDerWaalsContact CD2-CZ 3.49Å; F650-R764 VanDerWaalsContact CE2-CD 3.44Å
651P97.7Very high96.6Very high13 Ų1313.6 Ų13.68%0.0847%0.069CC..Hα-helixtrans-50-44.6169.1-33.438.4000114.5N627 Y628 L643 D649 L654 N655N627-P651 HydrophobicContact CB-CB 3.47Å; N627-P651 VanDerWaalsContact CB-CB 3.47Å; N627-P651 HydrophobicContact CB-CG 3.75Å; Y628-P651 VanDerWaalsContact O-CB 3.27Å; Y628-P651 WeakPolarHBondContact O-CB 3.45Å; Y628-P651 VanDerWaalsContact O-CG 3.31Å; Y628-P651 WeakPolarHBondContact O-CG 3.33Å; L643-P651 HydrophobicContact CD1-CB 4.43Å; D649-P651 WeakPolarHBondContact OD1-CD 3.37Å; P651-L654 PolarHBondContact O-N 2.64Å; P651-N655 WeakPolarHBondContact O-CB 3.45Å; P651-N655 PolarHBondContact O-N 3.39Å
652M97.4Very high96.4Very high0 Ų013.5 Ų13.50%07%0.068CC..Hα-helixtrans-70.8-39.1178.5-171.551.354.800112.6L643 N644 Y645 T647 M648 D649 F650 L654 N655 M656L643-M652 HydrophobicContact CB-CE 3.5Å; L643-M652 HydrophobicContact CD1-CE 4.05Å; L643-M652 HydrophobicContact CG-CE 4.45Å; N644-M652 WeakPolarHBondContact O-CE 3.48Å; Y645-M652 HydrophobicContact CD2-CE 3.54Å; Y645-M652 HydrophobicContact CD2-SD 4.25Å; Y645-M652 HydrophobicContact CE2-CE 3.7Å; Y645-M652 HydrophobicContact CE2-SD 4.24Å; Y645-M652 HydrophobicContact CG-CE 4.14Å; Y645-M652 HydrophobicContact CG-SD 4.41Å; T647-M652 WeakPolarHBondContact O-CB 3.1Å; M648-M652 HydrophobicContact SD-CG 3.7Å; D649-M652 PolarHBondContact O-N 3.21Å; D649-M652 PolarHBondContact OD1-N 2.86Å; F650-M652 VanDerWaalsContact C-N 3.29Å; F650-M652 PolarHBondContact O-N 3.34Å; M652-L654 VanDerWaalsContact C-N 3.31Å; M652-L654 PolarHBondContact O-N 3.42Å; M652-N655 PolarHBondContact O-N 3.35Å; M652-N655 HydrophobicContact SD-CB 4.4Å; M652-N655 PolarHBondContact SD-ND2 3.38Å; M652-N655 VanDerWaalsContact SD-ND2 3.36Å; M652-M656 HydrophobicContact CG-CG 4.17Å; M652-M656 VanDerWaalsContact O-CB 3.3Å; M652-M656 WeakPolarHBondContact O-CB 3.26Å; M652-M656 VanDerWaalsContact O-CG 3.27Å; M652-M656 WeakPolarHBondContact O-CG 3.44Å; M652-M656 PolarHBondContact O-N 3.3Å; M652-M656 HydrophobicContact SD-CG 3.88Å
653Q97.4Very high96.1Very high13 Ų1314.8 Ų14.86%0.0618%0.082CC..Hα-helixtrans-55.7-46.6172.6-70.216226.100111.1M648 D649 F650 M656 A657 I779 E797M648-Q653 PolarHBondContact O-NE2 3.16Å; D649-Q653 WeakPolarHBondContact O-CG 3.44Å; D649-Q653 PolarHBondContact O-N 3.13Å; F650-Q653 WeakPolarHBondContact O-CB 3.49Å; F650-Q653 PolarHBondContact O-N 2.8Å; Q653-M656 PolarHBondContact O-N 2.84Å; Q653-A657 WeakPolarHBondContact O-CB 3.42Å; Q653-A657 PolarHBondContact O-N 2.96Å; Q653-I779 HydrophobicContact CB-CD1 4.39Å; Q653-E797 HydrophobicContact CG-CB 4.43Å; Q653-E797 WeakPolarHBondContact CG-O 3.35Å
654L97.6Very high95.9Very high0 Ų017 Ų170%09%0.09CC..Hα-helixtrans-62.9-47.9176.9-179.560.9000112.1P630 W634 F650 P651 M652 M656 A657 L658 I720 I779P630-L654 HydrophobicContact CG-CD2 4.09Å; W634-L654 HydrophobicContact CZ3-CD2 4.06Å; W634-L654 HydrophobicContact CZ3-CG 4.09Å; F650-L654 HydrophobicContact CE2-CB 4.24Å; F650-L654 HydrophobicContact CZ-CD2 4.41Å; F650-L654 PolarHBondContact O-N 3.34Å; P651-L654 PolarHBondContact O-N 2.64Å; M652-L654 VanDerWaalsContact C-N 3.31Å; M652-L654 PolarHBondContact O-N 3.42Å; L654-M656 PolarHBondContact O-N 2.84Å; L654-A657 PolarHBondContact O-N 2.73Å; L654-L658 HydrophobicContact CD1-CD1 3.8Å; L654-L658 HydrophobicContact CD1-CG 4.02Å; L654-L658 HydrophobicContact CG-CD1 4Å; L654-L658 WeakPolarHBondContact O-CG 3.34Å; L654-L658 PolarHBondContact O-N 2.74Å; L654-I720 HydrophobicContact CD1-CD1 4.16Å; L654-I720 HydrophobicContact CD2-CG2 3.98Å; L654-I779 HydrophobicContact CB-CD1 4.3Å; L654-I779 HydrophobicContact CD1-CD1 4.34Å; L654-I779 HydrophobicContact CD1-CG2 3.97Å
655N97.9Very high95.8Very high0 Ų017.3 Ų17.30%09%0.092CC..Hα-helixtrans-60-42.1175.2171.765.6000112.7L643 Y645 P651 M652 A657 F659L643-N655 HydrophobicContact CD1-CB 3.82Å; Y645-N655 PolarHBondContact OH-ND2 3.1Å; P651-N655 WeakPolarHBondContact O-CB 3.45Å; P651-N655 PolarHBondContact O-N 3.39Å; M652-N655 PolarHBondContact O-N 3.35Å; M652-N655 HydrophobicContact SD-CB 4.4Å; M652-N655 PolarHBondContact SD-ND2 3.38Å; M652-N655 VanDerWaalsContact SD-ND2 3.36Å; N655-A657 VanDerWaalsContact C-N 3.34Å; N655-F659 WeakPolarHBondContact O-CD2 3.31Å; N655-F659 PolarHBondContact O-N 3.49Å; N655-F659 VanDerWaalsContact OD1-CD2 3.31Å; N655-F659 WeakPolarHBondContact OD1-CD2 3.14Å; N655-F659 WeakPolarHBondContact OD1-CE2 3.3Å
656M96.9Very high95.8Very high16 Ų1617.3 Ų17.38%0.0799%0.092CC..Hα-helixtrans-71.7-26.5179-73.3-66.9-71.200113.2M107 K322 M652 Q653 L654 S798 N799M107-M656 HydrophobicContact CE-CE 3.8Å; M107-M656 HydrophobicContact CE-SD 3.73Å; K322-M656 PolarHBondContact NZ-SD 2.89Å; M652-M656 HydrophobicContact CG-CG 4.17Å; M652-M656 VanDerWaalsContact O-CB 3.3Å; M652-M656 WeakPolarHBondContact O-CB 3.26Å; M652-M656 VanDerWaalsContact O-CG 3.27Å; M652-M656 WeakPolarHBondContact O-CG 3.44Å; M652-M656 PolarHBondContact O-N 3.3Å; M652-M656 HydrophobicContact SD-CG 3.88Å; Q653-M656 PolarHBondContact O-N 2.84Å; L654-M656 PolarHBondContact O-N 2.84Å; M656-S798 VanDerWaalsContact CE-O 3.3Å; M656-S798 WeakPolarHBondContact CE-O 3.42Å; M656-N799 HydrophobicContact CB-CB 3.82Å; M656-N799 PolarHBondContact O-ND2 2.75Å
657A96.3Very high96Very high2 Ų216 Ų162%0.0179%0.086CC..Hα-helixtrans-80.1-49.2174.200000113Q653 L654 N655 F659 E660 F661 I779 N799Q653-A657 WeakPolarHBondContact O-CB 3.42Å; Q653-A657 PolarHBondContact O-N 2.96Å; L654-A657 PolarHBondContact O-N 2.73Å; N655-A657 VanDerWaalsContact C-N 3.34Å; A657-F659 PolarHBondContact O-N 2.94Å; A657-E660 VanDerWaalsContact O-CB 3.3Å; A657-E660 WeakPolarHBondContact O-CB 3.44Å; A657-E660 PolarHBondContact O-N 3.35Å; A657-E660 VanDerWaalsContact O-N 3.14Å; A657-F661 WeakPolarHBondContact O-CD2 3.45Å; A657-I779 HydrophobicContact CB-CB 3.6Å; A657-I779 HydrophobicContact CB-CD1 4.32Å; A657-I779 HydrophobicContact CB-CG2 3.87Å; A657-N799 WeakPolarHBondContact CA-ND2 3.46Å
658L95.7Very high96.1Very high24 Ų2415.4 Ų15.413%0.1268%0.082CC..Hα-helixtrans-62.8-46-177.5-70.7175.2000112.1W634 L654 E660 F661 L668 S762 P781W634-L658 HydrophobicContact CE3-CD1 4.01Å; W634-L658 HydrophobicContact CH2-CD1 3.79Å; W634-L658 HydrophobicContact CZ3-CD1 3.32Å; L654-L658 HydrophobicContact CD1-CD1 3.8Å; L654-L658 HydrophobicContact CD1-CG 4.02Å; L654-L658 HydrophobicContact CG-CD1 4Å; L654-L658 WeakPolarHBondContact O-CG 3.34Å; L654-L658 PolarHBondContact O-N 2.74Å; L658-E660 PolarHBondContact O-N 3.43Å; L658-E660 VanDerWaalsContact O-N 3.15Å; L658-F661 WeakPolarHBondContact O-CD2 3.47Å; L658-F661 PolarHBondContact O-N 2.73Å; L658-L668 HydrophobicContact CB-CD1 4.18Å; L658-S762 WeakPolarHBondContact CD2-OG 3.39Å; L658-P781 HydrophobicContact CD2-CG 4.01Å
659F97.1Very high96.2Very high7 Ų715.1 Ų15.13%0.0318%0.081CC..THydrogen-bonded Turntrans-79.815177.6-68.3-75.7000114.2F320 K322 W634 N655 A657 L668F320-F659 HydrophobicContact CB-CE1 4.47Å; F320-F659 HydrophobicContact CB-CZ 4.07Å; K322-F659 HydrophobicContact CB-CB 4.33Å; K322-F659 HydrophobicContact CB-CD1 3.82Å; K322-F659 HydrophobicContact CB-CD2 3.79Å; K322-F659 HydrophobicContact CB-CE1 3.97Å; K322-F659 HydrophobicContact CB-CE2 3.94Å; K322-F659 HydrophobicContact CB-CG 3.72Å; K322-F659 HydrophobicContact CB-CZ 4.04Å; K322-F659 HydrophobicContact CD-CB 3.67Å; K322-F659 HydrophobicContact CD-CD2 4.12Å; K322-F659 HydrophobicContact CD-CG 3.96Å; K322-F659 HydrophobicContact CG-CB 4.26Å; K322-F659 HydrophobicContact CG-CD2 3.79Å; K322-F659 HydrophobicContact CG-CE2 4.24Å; K322-F659 HydrophobicContact CG-CG 3.97Å; W634-F659 HydrophobicContact CZ2-CE2 4.1Å; N655-F659 WeakPolarHBondContact O-CD2 3.31Å; N655-F659 PolarHBondContact O-N 3.49Å; N655-F659 VanDerWaalsContact OD1-CD2 3.31Å; N655-F659 WeakPolarHBondContact OD1-CD2 3.14Å; N655-F659 WeakPolarHBondContact OD1-CE2 3.3Å; A657-F659 PolarHBondContact O-N 2.94Å; F659-L668 HydrophobicContact CD1-CD1 3.69Å; F659-L668 HydrophobicContact CD1-CG 3.7Å; F659-L668 HydrophobicContact CE1-CB 4.26Å; F659-L668 HydrophobicContact CE1-CD1 3.75Å; F659-L668 HydrophobicContact CE1-CG 3.73Å; F659-L668 HydrophobicContact CG-CD1 4.18Å; F659-L668 HydrophobicContact CZ-CD1 4.28Å
660E95.4Very high96.3Very high5 Ų513.3 Ų13.32%0.0237%0.071CC..THydrogen-bonded Turntrans-74.6-33159.4-176.5167.3-15600111.8N141 L306 A657 L658 R664 R778 R795 N799N141-E660 PolarHBondContact ND2-OE1 3.46Å; L306-E660 HydrophobicContact CD2-CG 4.12Å; A657-E660 VanDerWaalsContact O-CB 3.3Å; A657-E660 WeakPolarHBondContact O-CB 3.44Å; A657-E660 PolarHBondContact O-N 3.35Å; A657-E660 VanDerWaalsContact O-N 3.14Å; L658-E660 PolarHBondContact O-N 3.43Å; L658-E660 VanDerWaalsContact O-N 3.15Å; E660-R664 HydrophobicContact CG-CG 4.46Å; E660-R664 WeakPolarHBondContact O-CG 3.39Å; E660-R664 PolarHBondContact O-N 2.89Å; E660-R664 IonicContact OE1-CZ 2.91Å; E660-R664 IonicContact OE1-NH2 3.87Å; E660-R664 PolarHBondContact OE1-NH2 3.05Å; E660-R778 IonicContact OE2-NH1 3.69Å; E660-R795 IonicContact OE1-CZ 3.45Å; E660-R795 IonicContact OE1-NH1 2.65Å; E660-R795 PolarHBondContact OE1-NH1 2.72Å; E660-R795 VanDerWaalsContact OE1-NH1 3.09Å; E660-R795 IonicContact OE1-NH2 3.31Å; E660-R795 PolarHBondContact OE1-NH2 2.92Å; E660-R795 IonicContact OE2-CZ 3.14Å; E660-R795 VanDerWaalsContact OE2-CZ 3.3Å; E660-R795 IonicContact OE2-NH1 3.82Å; E660-R795 PolarHBondContact OE2-NH1 3.36Å; E660-R795 IonicContact OE2-NH2 2.7Å; E660-R795 PolarHBondContact OE2-NH2 3.45Å; E660-N799 PolarHBondContact OE2-ND2 3.05Å; E660-N799 VanDerWaalsContact OE2-ND2 3.11Å
661F94.4Very high96.2Very high13 Ų1311.9 Ų11.96%0.0577%0.065CC..THydrogen-bonded Turntrans-71.2169.7-178.2-66.4-93.2000112.2V301 K305 L306 A657 L658 G663 R664 L668 P781 A784V301-F661 HydrophobicContact CG1-CE1 3.62Å; V301-F661 HydrophobicContact CG1-CZ 3.98Å; K305-F661 HydrophobicContact CB-CD1 4.08Å; K305-F661 HydrophobicContact CB-CE1 4.42Å; L306-F661 HydrophobicContact CD2-CD1 3.76Å; L306-F661 HydrophobicContact CD2-CE1 3.6Å; L306-F661 HydrophobicContact CD2-CE2 4.41Å; L306-F661 HydrophobicContact CD2-CG 4.23Å; L306-F661 HydrophobicContact CD2-CZ 3.94Å; L306-F661 HydrophobicContact CG-CD1 4.16Å; L306-F661 HydrophobicContact CG-CE1 3.95Å; A657-F661 WeakPolarHBondContact O-CD2 3.45Å; L658-F661 WeakPolarHBondContact O-CD2 3.47Å; L658-F661 PolarHBondContact O-N 2.73Å; F661-G663 PolarHBondContact O-N 3.39Å; F661-R664 PolarHBondContact O-N 3.42Å; F661-L668 HydrophobicContact CB-CD2 4.27Å; F661-P781 HydrophobicContact CD2-CG 4.14Å; F661-P781 VanDerWaalsContact CE2-CD 3.45Å; F661-P781 HydrophobicContact CE2-CG 3.9Å; F661-P781 VanDerWaalsContact CZ-CD 3.44Å; F661-P781 HydrophobicContact CZ-CG 4.1Å; F661-A784 HydrophobicContact CD1-CB 4.23Å; F661-A784 HydrophobicContact CE1-CB 3.59Å; F661-A784 HydrophobicContact CZ-CB 4.2Å
662N94.6Very high95.9Very high0 Ų014.7 Ų14.70%08%0.08CC..G310 helixtrans52.441.1-172.9-165.735.8000112.8K305 A307 C309 Q310 M312 R664 T665 Y667 L668K305-N662 PolarHBondContact O-N 3.5Å; K305-N662 VanDerWaalsContact O-N 3.11Å; A307-N662 CarbonylContact O-C 3.3Å; A307-N662 VanDerWaalsContact O-CA 3.25Å; A307-N662 WeakPolarHBondContact O-CA 3.35Å; C309-N662 PolarHBondContact N-OD1 2.83Å; C309-N662 VanDerWaalsContact N-OD1 3.15Å; Q310-N662 HydrophobicContact CG-CB 4.17Å; Q310-N662 PolarHBondContact N-OD1 2.89Å; Q310-N662 VanDerWaalsContact N-OD1 3.12Å; Q310-N662 PolarHBondContact OE1-ND2 2.93Å; M312-N662 PolarHBondContact SD-ND2 3.2Å; N662-R664 PolarHBondContact O-N 3.11Å; N662-T665 PolarHBondContact ND2-OG1 2.9Å; N662-T665 WeakPolarHBondContact O-CB 3.21Å; N662-T665 WeakPolarHBondContact O-CG2 3.37Å; N662-T665 PolarHBondContact O-N 3.36Å; N662-T665 PolarHBondContact O-OG1 2.93Å; N662-Y667 PolarHBondContact ND2-O 2.89Å; N662-L668 HydrophobicContact CB-CD2 3.88Å
663G91.3Very high95.6Very high28 Ų2815 Ų1529%0.2898%0.082SC..G310 helixtrans65.833.1175.300000115.5L306 A307 F661 T665L306-G663 VanDerWaalsContact O-CA 3.29Å; L306-G663 WeakPolarHBondContact O-CA 3.42Å; L306-G663 PolarHBondContact O-N 3.13Å; A307-G663 PolarHBondContact O-N 3.26Å; F661-G663 PolarHBondContact O-N 3.39Å; G663-T665 PolarHBondContact O-N 2.86Å
664R94.1Very high95.3Very high45 Ų4514.5 Ų14.517%0.178%0.079CC..G310 helixtrans53.924.8-177.3-64.2179.3179.7165.13.5114.5Y135 T140 E660 F661 N662 G666Y135-R664 PolarHBondContact O-NH1 2.69Å; T140-R664 VanDerWaalsContact CG2-NH2 3.25Å; T140-R664 PolarHBondContact OG1-NH2 3.14Å; E660-R664 HydrophobicContact CG-CG 4.46Å; E660-R664 WeakPolarHBondContact O-CG 3.39Å; E660-R664 PolarHBondContact O-N 2.89Å; E660-R664 IonicContact OE1-CZ 2.91Å; E660-R664 IonicContact OE1-NH2 3.87Å; E660-R664 PolarHBondContact OE1-NH2 3.05Å; F661-R664 PolarHBondContact O-N 3.42Å; N662-R664 PolarHBondContact O-N 3.11Å; R664-G666 PolarHBondContact O-N 3.3Å; R664-G666 VanDerWaalsContact O-N 3.15Å
665T95.9Very high95.1Very high8 Ų816.3 Ų16.35%0.0499%0.086CC..  trans-66.1-18.1-175.449.90000113.9K308 S397 Y399 N662 G663 Y667K308-T665 HydrophobicContact CD-CG2 4.43Å; K308-T665 HydrophobicContact CG-CG2 4.28Å; S397-T665 WeakPolarHBondContact CB-O 3.38Å; S397-T665 WeakPolarHBondContact OG-CA 3.44Å; S397-T665 PolarHBondContact OG-O 3.2Å; Y399-T665 HydrophobicContact CD2-CG2 3.54Å; Y399-T665 HydrophobicContact CE2-CG2 3.58Å; N662-T665 PolarHBondContact ND2-OG1 2.9Å; N662-T665 WeakPolarHBondContact O-CB 3.21Å; N662-T665 WeakPolarHBondContact O-CG2 3.37Å; N662-T665 PolarHBondContact O-N 3.36Å; N662-T665 PolarHBondContact O-OG1 2.93Å; G663-T665 PolarHBondContact O-N 2.86Å; T665-Y667 VanDerWaalsContact C-N 3.27Å; T665-Y667 PolarHBondContact OG1-O 3.03Å
666G96.9Very high94.8Very high1 Ų121.3 Ų21.31%0.0111%0.105CC..SBendtrans80.36.3-174.900000114.2K322 G350 R664K322-G666 PolarHBondContact N-O 3.46Å; G350-G666 WeakPolarHBondContact O-CA 3.44Å; R664-G666 PolarHBondContact O-N 3.3Å; R664-G666 VanDerWaalsContact O-N 3.15Å
667Y98.3Very high94.1Very high0 Ų025.9 Ų25.90%014%0.138CC..EExtended strand (participates in β ladder)trans-127.7127.2178.2-78.7-95.2000109.3M312 Y319 F320 I321 R352 Y399 P400 P449 N662 T665M312-Y667 HydrophobicContact CE-CG 4.29Å; Y319-Y667 HydrophobicContact CD1-CD1 4.38Å; Y319-Y667 AromaticContact CG-CD1 4Å; Y319-Y667 HydrophobicContact CG-CD1 4Å; F320-Y667 WeakPolarHBondContact O-CA 3.31Å; I321-Y667 HydrophobicContact CB-CE1 4.48Å; I321-Y667 HydrophobicContact CD1-CE1 3.81Å; I321-Y667 HydrophobicContact CG1-CD1 3.97Å; I321-Y667 HydrophobicContact CG1-CE1 3.64Å; I321-Y667 HydrophobicContact CG2-CE1 4.2Å; R352-Y667 HydrophobicContact CB-CD2 4.48Å; R352-Y667 HydrophobicContact CB-CE2 3.83Å; R352-Y667 HydrophobicContact CG-CD2 3.87Å; R352-Y667 HydrophobicContact CG-CE2 3.58Å; Y399-Y667 HydrophobicContact CG-CD2 4.33Å; P400-Y667 HydrophobicContact CG-CE2 4.4Å; P400-Y667 PolarHBondContact O-OH 3.36Å; P449-Y667 HydrophobicContact CB-CD1 4.28Å; P449-Y667 HydrophobicContact CB-CE1 4.31Å; P449-Y667 HydrophobicContact CG-CD1 3.91Å; P449-Y667 HydrophobicContact CG-CE1 3.99Å; N662-Y667 PolarHBondContact ND2-O 2.89Å; T665-Y667 VanDerWaalsContact C-N 3.27Å; T665-Y667 PolarHBondContact OG1-O 3.03Å
668L97.7Very high93.7Very high20 Ų2030.7 Ų30.711%0.10516%0.164CC..EExtended strand (participates in β ladder)trans-121.3124.4173-63.6171000108.8Y319 F320 L658 F659 F661 N662Y319-L668 CarbonylContact C-O 3.58Å; Y319-L668 WeakPolarHBondContact CA-O 3.4Å; Y319-L668 WeakPolarHBondContact CB-O 3.32Å; F320-L668 HydrophobicContact CB-CB 4.41Å; F320-L668 PolarHBondContact N-O 2.99Å; F320-L668 PolarHBondContact O-N 3.45Å; L658-L668 HydrophobicContact CB-CD1 4.18Å; F659-L668 HydrophobicContact CD1-CD1 3.69Å; F659-L668 HydrophobicContact CD1-CG 3.7Å; F659-L668 HydrophobicContact CE1-CB 4.26Å; F659-L668 HydrophobicContact CE1-CD1 3.75Å; F659-L668 HydrophobicContact CE1-CG 3.73Å; F659-L668 HydrophobicContact CG-CD1 4.18Å; F659-L668 HydrophobicContact CZ-CD1 4.28Å; F661-L668 HydrophobicContact CB-CD2 4.27Å; N662-L668 HydrophobicContact CB-CD2 3.88Å
669L97.4Very high93.1Very high28 Ų2832.4 Ų32.415%0.14717%0.17CC..EExtended strand (participates in β ladder)trans-64135.1177.3-176.265.8000110Q310 D311 Q314 H318 Y319Q310-L669 HydrophobicContact CB-CB 4.32Å; D311-L669 HydrophobicContact CB-CD2 4.27Å; Q314-L669 HydrophobicContact CB-CD1 4.2Å; Q314-L669 HydrophobicContact CG-CD1 3.8Å; H318-L669 HydrophobicContact CB-CD1 4.34Å; Y319-L669 HydrophobicContact CD1-CB 4.1Å; Y319-L669 HydrophobicContact CD1-CD1 4.2Å; Y319-L669 HydrophobicContact CE1-CB 3.94Å; Y319-L669 HydrophobicContact CE1-CD1 3.73Å; Y319-L669 HydrophobicContact CE1-CG 4.43Å; Y319-L669 HydrophobicContact CE2-CD1 4.4Å
670K96.6Very high92.6Very high1 Ų140.2 Ų40.20%0.00420%0.204CC..PPolyproline II helixtrans-76.3148.4175.5-62.9-169.4-70.6-1790111.3P317 H318 F320 N609 G637 M674 R675P317-K670 WeakPolarHBondContact O-CE 3.34Å; P317-K670 PolarHBondContact O-NZ 3.02Å; H318-K670 WeakPolarHBondContact O-CB 3.22Å; H318-K670 WeakPolarHBondContact O-CG 3.28Å; H318-K670 PolarHBondContact O-N 3.06Å; F320-K670 HydrophobicContact CD1-CD 3.94Å; F320-K670 HydrophobicContact CD1-CG 3.92Å; F320-K670 HydrophobicContact CD2-CG 3.99Å; F320-K670 HydrophobicContact CE1-CD 3.54Å; F320-K670 HydrophobicContact CE1-CG 3.71Å; F320-K670 HydrophobicContact CE2-CB 4.43Å; F320-K670 HydrophobicContact CE2-CD 4.5Å; F320-K670 HydrophobicContact CE2-CG 3.79Å; F320-K670 HydrophobicContact CG-CG 4.07Å; F320-K670 HydrophobicContact CZ-CB 4.42Å; F320-K670 HydrophobicContact CZ-CD 3.86Å; F320-K670 HydrophobicContact CZ-CG 3.64Å; N609-K670 PolarHBondContact O-NZ 2.53Å; G637-K670 PolarHBondContact O-NZ 2.97Å; K670-M674 HydrophobicContact CB-CB 4.1Å; K670-M674 HydrophobicContact CD-CB 4.45Å; K670-R675 HydrophobicContact CB-CG 4.2Å; K670-R675 WeakPolarHBondContact O-CD 3.18Å; K670-R675 PolarHBondContact O-NE 3.1Å
671H93.5Very high92.3Very high25 Ų2540.4 Ų40.412%0.11621%0.205CC..PPolyproline II helixtrans-54.4146.8175-176.7-115.2000112.4V673 M674 E759 M760H671-V673 VanDerWaalsContact C-N 3.28Å; H671-V673 WeakPolarHBondContact ND1-CG2 3.06Å; H671-V673 PolarHBondContact O-N 2.62Å; H671-V673 VanDerWaalsContact O-N 3.09Å; H671-M674 WeakPolarHBondContact O-CA 3.47Å; H671-M674 WeakPolarHBondContact O-CB 3.48Å; H671-M674 PolarHBondContact O-N 2.68Å; H671-E759 WeakPolarHBondContact CA-OE1 3.25Å; H671-E759 VanDerWaalsContact CB-OE1 3.28Å; H671-E759 WeakPolarHBondContact CB-OE1 3.32Å; H671-E759 IonicContact CD2-OE1 2.71Å; H671-E759 PolarHBondContact CD2-OE1 3Å; H671-E759 IonicContact CD2-OE2 3.89Å; H671-E759 IonicContact CG-OE1 3.68Å; H671-M760 HydrophobicContact CB-CG 4.45Å; H671-M760 HydrophobicContact CB-SD 4.45Å
672D91.4Very high92.2Very high73 Ų7342.7 Ų42.739%0.3922%0.218SC..G310 helixtrans-51.4-38.7-169.1-83.241.5000114.9M674 R675 R676D672-M674 PolarHBondContact O-N 3.32Å; D672-R675 VanDerWaalsContact CG-NH2 3.32Å; D672-R675 PolarHBondContact O-N 3.08Å; D672-R675 IonicContact OD1-CZ 3.67Å; D672-R675 IonicContact OD1-NE 3.55Å; D672-R675 IonicContact OD1-NH2 2.6Å; D672-R675 PolarHBondContact OD1-NH2 3.07Å; D672-R675 IonicContact OD2-NH2 2.77Å; D672-R676 WeakPolarHBondContact O-CB 3.04Å; D672-R676 WeakPolarHBondContact O-CG 3.4Å; D672-R676 PolarHBondContact O-N 2.94Å
673V90.8Very high91.9Very high7 Ų742.7 Ų42.74%0.04222%0.218CC..G310 helixtrans-62.3-23.6178.3-54.20000113K610 H671 F681K610-V673 VanDerWaalsContact CE-O 3.29Å; K610-V673 WeakPolarHBondContact CE-O 3.5Å; K610-V673 PolarHBondContact NZ-O 2.86Å; H671-V673 VanDerWaalsContact C-N 3.28Å; H671-V673 WeakPolarHBondContact ND1-CG2 3.06Å; H671-V673 PolarHBondContact O-N 2.62Å; H671-V673 VanDerWaalsContact O-N 3.09Å; V673-F681 HydrophobicContact CB-CB 4.13Å; V673-F681 HydrophobicContact CB-CD2 4.34Å; V673-F681 HydrophobicContact CB-CG 4.25Å; V673-F681 HydrophobicContact CG2-CB 4.06Å; V673-F681 HydrophobicContact CG2-CD1 4.05Å; V673-F681 HydrophobicContact CG2-CD2 3.74Å; V673-F681 HydrophobicContact CG2-CE1 4.46Å; V673-F681 HydrophobicContact CG2-CE2 4.19Å; V673-F681 HydrophobicContact CG2-CG 3.66Å
674M92.5Very high91.8Very high1 Ų146.2 Ų46.21%0.00523%0.225CC..G310 helixtrans-94.36.9178.8-43.4-167.289.800113.4F320 V606 K610 W634 N635 G637 K670 H671 D672 F681 M760F320-M674 HydrophobicContact CZ-SD 4.31Å; V606-M674 HydrophobicContact CG2-CE 4.5Å; K610-M674 WeakPolarHBondContact CG-O 3.33Å; W634-M674 WeakPolarHBondContact O-CE 3.48Å; N635-M674 WeakPolarHBondContact O-CE 3.35Å; G637-M674 VanDerWaalsContact N-CE 3.3Å; K670-M674 HydrophobicContact CB-CB 4.1Å; K670-M674 HydrophobicContact CD-CB 4.45Å; H671-M674 WeakPolarHBondContact O-CA 3.47Å; H671-M674 WeakPolarHBondContact O-CB 3.48Å; H671-M674 PolarHBondContact O-N 2.68Å; D672-M674 PolarHBondContact O-N 3.32Å; M674-F681 HydrophobicContact CE-CD1 4.26Å; M674-F681 HydrophobicContact CE-CE1 4.08Å; M674-F681 HydrophobicContact CG-CD1 4.32Å; M674-M760 HydrophobicContact CE-CE 4.32Å; M674-M760 HydrophobicContact CE-SD 4.5Å; M674-M760 HydrophobicContact SD-CE 3.76Å; M674-M760 HydrophobicContact SD-SD 3.48Å
675R93.4Very high91.4Very high38 Ų3845.7 Ų45.714%0.14323%0.228CC..THydrogen-bonded Turntrans-125.9-42.1179.7-58.4-169.6-68.6118.9-5.7111.7Q314 H318 K670 D672 S677Q314-R675 VanDerWaalsContact OE1-NH1 3.09Å; H318-R675 HydrophobicContact CB-CG 3.98Å; K670-R675 HydrophobicContact CB-CG 4.2Å; K670-R675 WeakPolarHBondContact O-CD 3.18Å; K670-R675 PolarHBondContact O-NE 3.1Å; D672-R675 VanDerWaalsContact CG-NH2 3.32Å; D672-R675 PolarHBondContact O-N 3.08Å; D672-R675 IonicContact OD1-CZ 3.67Å; D672-R675 IonicContact OD1-NE 3.55Å; D672-R675 IonicContact OD1-NH2 2.6Å; D672-R675 PolarHBondContact OD1-NH2 3.07Å; D672-R675 IonicContact OD2-NH2 2.77Å; R675-S677 PolarHBondContact O-N 3.29Å
676R89.9Confident90.6Very high106 Ų10650.8 Ų50.840%0.426%0.255SS..  trans-61.8126.6179.3-82.8-179.473.3148.8-1.3112.5K610 D672 D678K610-R676 WeakPolarHBondContact CD-O 3.42Å; K610-R676 VanDerWaalsContact CE-O 3.26Å; K610-R676 WeakPolarHBondContact CE-O 3.41Å; K610-R676 PolarHBondContact NZ-O 3.27Å; D672-R676 WeakPolarHBondContact O-CB 3.04Å; D672-R676 WeakPolarHBondContact O-CG 3.4Å; D672-R676 PolarHBondContact O-N 2.94Å; R676-D678 VanDerWaalsContact CB-OD1 3.3Å; R676-D678 WeakPolarHBondContact CB-OD1 3.46Å; R676-D678 IonicContact CZ-OD1 3.62Å; R676-D678 IonicContact CZ-OD2 2.9Å; R676-D678 IonicContact NE-OD1 3.54Å; R676-D678 PolarHBondContact NE-OD1 3.35Å; R676-D678 IonicContact NE-OD2 3.1Å; R676-D678 PolarHBondContact NE-OD2 3.33Å; R676-D678 IonicContact NH2-OD1 2.74Å; R676-D678 IonicContact NH2-OD2 3.58Å; R676-D678 PolarHBondContact NH2-OD2 3.26Å
677S83.8Confident89.6Confident112 Ų11258.8 Ų58.878%0.78329%0.285SS*.SBendtrans-81-14.1177.754.30000114.1R675R675-S677 PolarHBondContact O-N 3.29Å
678D86.4Confident88.8Confident102 Ų10260 Ų6055%0.54529%0.291SS..SBendtrans-86-19-179.364.1-62.8000113.7R676R676-D678 VanDerWaalsContact CB-OD1 3.3Å; R676-D678 WeakPolarHBondContact CB-OD1 3.46Å; R676-D678 IonicContact CZ-OD1 3.62Å; R676-D678 IonicContact CZ-OD2 2.9Å; R676-D678 IonicContact NE-OD1 3.54Å; R676-D678 PolarHBondContact NE-OD1 3.35Å; R676-D678 IonicContact NE-OD2 3.1Å; R676-D678 PolarHBondContact NE-OD2 3.33Å; R676-D678 IonicContact NH2-OD1 2.74Å; R676-D678 IonicContact NH2-OD2 3.58Å; R676-D678 PolarHBondContact NH2-OD2 3.26Å
679K82.9Confident87.6Confident60 Ų6066.7 Ų66.726%0.26133%0.327SS..  trans-115.4124.2179.5-71.1-175.3172.7-178.70111.3K610 T690K610-K679 PolarHBondContact NZ-O 3.41Å; K679-T690 PolarHBondContact NZ-OG1 3.26Å
680K87.5Confident86.5Confident172 Ų17269.6 Ų69.675%0.74835%0.346SS*.  trans-71.4153.4161.4-66.3-176.5-177.7179.60109.9V603 E607V603-K680 HydrophobicContact CG1-CB 4.35Å; V603-K680 HydrophobicContact CG1-CD 4.36Å; E607-K680 WeakPolarHBondContact OE1-CA 3.44Å
681F89.6Confident85.8Confident8 Ų871 Ų714%0.03536%0.355CS..  trans-138132.2173.3171-111.9000109.8V606 V673 M674 P683 I688 L722 L757V606-F681 HydrophobicContact CG1-CB 4.27Å; V606-F681 HydrophobicContact CG1-CD1 4.28Å; V606-F681 HydrophobicContact CG2-CD1 4.25Å; V673-F681 HydrophobicContact CB-CB 4.13Å; V673-F681 HydrophobicContact CB-CD2 4.34Å; V673-F681 HydrophobicContact CB-CG 4.25Å; V673-F681 HydrophobicContact CG2-CB 4.06Å; V673-F681 HydrophobicContact CG2-CD1 4.05Å; V673-F681 HydrophobicContact CG2-CD2 3.74Å; V673-F681 HydrophobicContact CG2-CE1 4.46Å; V673-F681 HydrophobicContact CG2-CE2 4.19Å; V673-F681 HydrophobicContact CG2-CG 3.66Å; M674-F681 HydrophobicContact CE-CD1 4.26Å; M674-F681 HydrophobicContact CE-CE1 4.08Å; M674-F681 HydrophobicContact CG-CD1 4.32Å; F681-P683 HydrophobicContact CE1-CB 4.05Å; F681-P683 HydrophobicContact CZ-CB 4.25Å; F681-I688 HydrophobicContact CE2-CD1 3.76Å; F681-I688 HydrophobicContact CE2-CG1 4.17Å; F681-L722 HydrophobicContact CZ-CD1 4.26Å; F681-L722 HydrophobicContact CZ-CD2 4.2Å; F681-L757 HydrophobicContact CZ-CD2 4.32Å
682D90.9Very high85.3Confident61 Ų6174.4 Ų74.433%0.32638%0.377SS..  trans-111.4117.6171.6-179.3-0.9000108.5V603 F684 C685V603-D682 HydrophobicContact CG2-CB 3.77Å; D682-F684 PolarHBondContact O-N 2.82Å; D682-F684 VanDerWaalsContact O-N 3.17Å; D682-F684 PolarHBondContact OD1-N 3.31Å; D682-C685 HydrophobicContact CB-CB 4.34Å; D682-C685 PolarHBondContact O-N 3.01Å; D682-C685 PolarHBondContact O-SG 2.95Å
683P89.2Confident85.3Confident1 Ų171.8 Ų71.81%0.00637%0.366CS..THydrogen-bonded Turntrans-66.1-12.7177.627.4-34.2000113.9A602 N635 V636 F681 L722 P723A602-P683 HydrophobicContact CB-CG 4.05Å; N635-P683 HydrophobicContact CB-CB 4.14Å; V636-P683 HydrophobicContact CG1-CG 3.95Å; F681-P683 HydrophobicContact CE1-CB 4.05Å; F681-P683 HydrophobicContact CZ-CB 4.25Å; P683-L722 HydrophobicContact CB-CD2 4.22Å; P683-P723 WeakPolarHBondContact O-CD 3.34Å
684F89.9Confident85.3Confident102 Ų10271.7 Ų71.745%0.44737%0.365SS..THydrogen-bonded Turntrans-94.91.8177.9-63.9-84.9000114.1I598 A602 D682 P723I598-F684 HydrophobicContact CG2-CE2 3.9Å; I598-F684 HydrophobicContact CG2-CZ 3.82Å; A602-F684 HydrophobicContact CB-CD2 4.07Å; A602-F684 HydrophobicContact CB-CE2 3.94Å; D682-F684 PolarHBondContact O-N 2.82Å; D682-F684 VanDerWaalsContact O-N 3.17Å; D682-F684 PolarHBondContact OD1-N 3.31Å; F684-P723 HydrophobicContact CD1-CB 3.56Å; F684-P723 HydrophobicContact CD1-CG 3.73Å; F684-P723 HydrophobicContact CE1-CB 3.61Å; F684-P723 HydrophobicContact CE1-CG 3.51Å; F684-P723 HydrophobicContact CG-CG 4.43Å; F684-P723 HydrophobicContact CZ-CG 4.04Å
685C85.2Confident85.3Confident34 Ų3472.9 Ų72.923%0.2337%0.373CS..  trans-69.9148.3-179.569.50000113.7D682 R687D682-C685 HydrophobicContact CB-CB 4.34Å; D682-C685 PolarHBondContact O-N 3.01Å; D682-C685 PolarHBondContact O-SG 2.95Å; C685-R687 PolarHBondContact SG-O 2.63Å
686D79.3Confident85.4Confident114 Ų11471.1 Ų71.161%0.6137%0.366SS*.SBendtrans-82.2-14.8-177-106.8-56.9000114.7K754 L756D686-K754 VanDerWaalsContact O-CE 3.23Å; D686-K754 WeakPolarHBondContact O-CE 3.36Å; D686-K754 PolarHBondContact O-NZ 2.88Å; D686-K754 IonicContact OD1-NZ 3.8Å; D686-K754 PolarHBondContact OD1-NZ 2.63Å; D686-L756 WeakPolarHBondContact O-CD2 3.35Å
687R75.9Confident85.7Confident169 Ų16967.1 Ų67.164%0.63835%0.354SS*.  trans-152.5151.3178-64.4-170.5-175.6-139.72.2109.5C685C685-R687 PolarHBondContact SG-O 2.63Å
688I81.5Confident86.3Confident26 Ų2661.8 Ų61.813%0.13332%0.316CS..  trans-127.9107.6175.9-54.3162.9000107.5F681 T690 V691 L722 L757F681-I688 HydrophobicContact CE2-CD1 3.76Å; F681-I688 HydrophobicContact CE2-CG1 4.17Å; I688-T690 PolarHBondContact O-N 2.65Å; I688-V691 HydrophobicContact CB-CB 4.11Å; I688-V691 HydrophobicContact CB-CG2 4.17Å; I688-V691 HydrophobicContact CG2-CB 4.1Å; I688-V691 HydrophobicContact CG2-CG2 3.62Å; I688-V691 PolarHBondContact O-N 3.16Å; I688-L722 HydrophobicContact CD1-CD1 4.19Å; I688-L757 HydrophobicContact CD1-CB 4.2Å; I688-L757 HydrophobicContact CD1-CD2 4.41Å
689D71.3Confident86.8Confident160 Ų16058.2 Ų58.286%0.85630%0.296SS*.THydrogen-bonded Turntrans-60.5-14.4-164.4-51.1-41.8000115.9
690T75.8Confident87.4Confident89 Ų8955.4 Ų55.455%0.54628%0.284SS..THydrogen-bonded Turntrans-124.332.9177.572.70000113.2K679 I688K679-T690 PolarHBondContact NZ-OG1 3.26Å; I688-T690 PolarHBondContact O-N 2.65Å
691V81.6Confident87.8Confident31 Ų3148.6 Ų48.619%0.18825%0.254CS..SBendtrans-134.1130171178.30000108.5I688 A693 L756 L757I688-V691 HydrophobicContact CB-CB 4.11Å; I688-V691 HydrophobicContact CB-CG2 4.17Å; I688-V691 HydrophobicContact CG2-CB 4.1Å; I688-V691 HydrophobicContact CG2-CG2 3.62Å; I688-V691 PolarHBondContact O-N 3.16Å; V691-A693 PolarHBondContact O-N 2.97Å; V691-L756 WeakPolarHBondContact CG1-O 3.27Å; V691-L757 HydrophobicContact CG1-CD1 3.8Å; V691-L757 HydrophobicContact CG2-CD1 4.11Å
692V82.9Confident88.1Confident96 Ų9648.3 Ų48.358%0.58225%0.252SS*.  trans-79.6115.1170.5-177.90000107.7D815V692-D815 HydrophobicContact CG1-CB 3.69Å
693A90.4Very high88.4Confident19 Ų1945.4 Ų45.416%0.15724%0.237CC..  trans-68.3155.7170.700000110.1V691 I755 Y816V691-A693 PolarHBondContact O-N 2.97Å; A693-I755 CarbonylContact C-O 3.46Å; A693-I755 WeakPolarHBondContact CA-O 3.42Å; A693-I755 VanDerWaalsContact CB-O 3.23Å; A693-I755 WeakPolarHBondContact CB-O 3.34Å; A693-Y816 HydrophobicContact CB-CD1 4.28Å; A693-Y816 HydrophobicContact CB-CG 4.46Å; A693-Y816 WeakPolarHBondContact O-CB 3.31Å; A693-Y816 PolarHBondContact O-N 3.08Å
694S91.8Very high88.7Confident4 Ų445.4 Ų45.43%0.02824%0.237CC..EExtended strand (participates in β ladder)trans-123.9152.8179.2-58.90000112.7I755 P758 K814S694-I755 PolarHBondContact N-O 2.8Å; S694-I755 WeakPolarHBondContact O-CB 3.25Å; S694-I755 PolarHBondContact O-N 3.05Å; S694-P758 VanDerWaalsContact OG-CG 3.3Å; S694-P758 WeakPolarHBondContact OG-CG 3.47Å; S694-K814 CarbonylContact C-O 3.32Å; S694-K814 VanDerWaalsContact CA-O 3.23Å; S694-K814 WeakPolarHBondContact CA-O 3.37Å; S694-K814 VanDerWaalsContact CB-O 3.32Å; S694-K814 WeakPolarHBondContact CB-O 3.32Å
695T93.2Very high89Confident27 Ų2741.6 Ų41.617%0.16622%0.22CC..EExtended strand (participates in β ladder)trans-99.5130161.5-64.40000108.5V751 V813 K814T695-V751 HydrophobicContact CG2-CG1 3.96Å; T695-V813 WeakPolarHBondContact O-CA 3.45Å; T695-K814 PolarHBondContact N-O 2.86Å; T695-K814 PolarHBondContact O-N 3.46Å
696L95.2Very high89.4Confident0 Ų040.2 Ų40.20%021%0.21CC..EExtended strand (participates in β ladder)trans-107.8125.6170.6168.771.2000109.2V719 F752 I755 L763 I782 I811 V813L696-V719 HydrophobicContact CD2-CG2 3.88Å; L696-F752 HydrophobicContact CB-CB 4.29Å; L696-F752 HydrophobicContact CD2-CD2 4.02Å; L696-F752 HydrophobicContact CG-CD2 4.25Å; L696-F752 PolarHBondContact N-O 3.14Å; L696-F752 PolarHBondContact O-N 3.06Å; L696-I755 HydrophobicContact CB-CD1 3.7Å; L696-I755 HydrophobicContact CD2-CD1 4.43Å; L696-L763 HydrophobicContact CD2-CB 4.29Å; L696-L763 HydrophobicContact CD2-CD1 3.82Å; L696-L763 HydrophobicContact CD2-CD2 4.14Å; L696-L763 HydrophobicContact CD2-CG 4.3Å; L696-I782 HydrophobicContact CD2-CD1 3.94Å; L696-I811 HydrophobicContact CD1-CG2 3.99Å; L696-V813 HydrophobicContact CD1-CG2 3.87Å
697T95.6Very high90Very high23 Ų2335.7 Ų35.714%0.14119%0.188CC..EExtended strand (participates in β ladder)trans-116.3131170.1-62.70000108.8P749 V751 I811 E812T697-P749 HydrophobicContact CG2-CB 3.52Å; T697-V751 HydrophobicContact CG2-CG2 4.28Å; T697-I811 CarbonylContact O-C 3.46Å; T697-I811 WeakPolarHBondContact O-CA 3.45Å; T697-E812 PolarHBondContact N-O 3.13Å; T697-E812 PolarHBondContact O-N 2.83Å
698I96.6Very high90.6Very high0 Ų035 Ų350%019%0.191CC..EExtended strand (participates in β ladder)trans-135.3122.9174.9178.7172.1000111.5I700 V717 F750 F752 L763 I765 V809 Y810 I811I698-I700 HydrophobicContact CD1-CD1 3.87Å; I698-I700 HydrophobicContact CG1-CD1 3.93Å; I698-V717 HydrophobicContact CG2-CG1 3.98Å; I698-F750 HydrophobicContact CG2-CB 4.13Å; I698-F750 PolarHBondContact N-O 3.01Å; I698-F750 WeakPolarHBondContact O-CB 3.42Å; I698-F750 PolarHBondContact O-N 3.23Å; I698-F752 HydrophobicContact CG2-CE2 3.96Å; I698-L763 HydrophobicContact CD1-CD2 3.97Å; I698-I765 HydrophobicContact CD1-CD1 3.69Å; I698-I765 HydrophobicContact CD1-CG1 4.4Å; I698-V809 HydrophobicContact CD1-CB 4.42Å; I698-V809 HydrophobicContact CD1-CG1 4.46Å; I698-V809 HydrophobicContact CD1-CG2 4.49Å; I698-V809 HydrophobicContact CG1-CB 4.38Å; I698-Y810 CarbonylContact C-O 3.45Å; I698-Y810 WeakPolarHBondContact CA-O 3.39Å; I698-I811 HydrophobicContact CB-CG1 4.31Å; I698-I811 HydrophobicContact CD1-CD1 4.37Å; I698-I811 HydrophobicContact CD1-CG1 3.9Å; I698-I811 HydrophobicContact CG1-CG1 3.93Å
699K96.4Very high91Very high27 Ų2740.5 Ų40.512%0.11722%0.215CC..EExtended strand (participates in β ladder)trans-105.4125.4173.4176.5161.3169.1129.90110.6Y701 N746 E747 P749 V809 Y810K699-Y701 HydrophobicContact CB-CE2 4.1Å; K699-Y701 HydrophobicContact CD-CE1 4.45Å; K699-Y701 HydrophobicContact CD-CE2 3.86Å; K699-Y701 HydrophobicContact CG-CD2 3.98Å; K699-Y701 HydrophobicContact CG-CE2 3.64Å; K699-N746 WeakPolarHBondContact CE-OD1 3.46Å; K699-N746 PolarHBondContact NZ-O 2.91Å; K699-N746 VanDerWaalsContact NZ-O 3.12Å; K699-N746 PolarHBondContact NZ-OD1 2.87Å; K699-E747 VanDerWaalsContact CD-O 3.29Å; K699-E747 WeakPolarHBondContact CD-O 3.34Å; K699-E747 WeakPolarHBondContact CE-O 3.16Å; K699-E747 WeakPolarHBondContact CG-O 3.47Å; K699-E747 PolarHBondContact NZ-O 3.48Å; K699-P749 HydrophobicContact CB-CB 4.28Å; K699-P749 HydrophobicContact CB-CG 4.29Å; K699-P749 HydrophobicContact CD-CG 4.22Å; K699-V809 VanDerWaalsContact O-CA 3.29Å; K699-V809 WeakPolarHBondContact O-CA 3.27Å; K699-V809 WeakPolarHBondContact O-CB 3.2Å; K699-Y810 PolarHBondContact N-O 3.02Å; K699-Y810 PolarHBondContact O-N 3Å
700I96.6Very high91.9Very high1 Ų135.6 Ų35.61%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-92.4109.2178.4-51.8-57.5000109.1I698 V715 V717 T732 W745 E747 F750 V809I698-I700 HydrophobicContact CD1-CD1 3.87Å; I698-I700 HydrophobicContact CG1-CD1 3.93Å; I700-V715 HydrophobicContact CG2-CB 4.3Å; I700-V715 HydrophobicContact CG2-CG2 4.01Å; I700-V717 HydrophobicContact CD1-CG2 4.13Å; I700-V717 HydrophobicContact CG1-CG2 4.29Å; I700-T732 HydrophobicContact CB-CG2 4.12Å; I700-T732 HydrophobicContact CG1-CG2 4.36Å; I700-T732 HydrophobicContact CG2-CG2 4.11Å; I700-W745 HydrophobicContact CG2-CE3 3.91Å; I700-W745 HydrophobicContact CG2-CZ3 4.2Å; I700-E747 PolarHBondContact O-N 3.38Å; I700-F750 HydrophobicContact CG1-CD2 4.3Å; I700-F750 HydrophobicContact CG1-CE2 3.89Å; I700-V809 HydrophobicContact CD1-CB 4.44Å; I700-V809 HydrophobicContact CD1-CG1 3.55Å
701Y95.5Very high92.7Very high29 Ų2932.9 Ų32.911%0.11418%0.176CC..EExtended strand (participates in β ladder)trans-86.9-61.7179.9-77.6-95.3000111.6E220 K699 W745 N746 F789 F808E220-Y701 HydrophobicContact CB-CD1 4.17Å; K699-Y701 HydrophobicContact CB-CE2 4.1Å; K699-Y701 HydrophobicContact CD-CE1 4.45Å; K699-Y701 HydrophobicContact CD-CE2 3.86Å; K699-Y701 HydrophobicContact CG-CD2 3.98Å; K699-Y701 HydrophobicContact CG-CE2 3.64Å; Y701-W745 PolarHBondContact O-N 3.39Å; Y701-N746 PolarHBondContact O-N 3.04Å; Y701-N746 VanDerWaalsContact O-N 3.1Å; Y701-F789 HydrophobicContact CE2-CD1 4.41Å; Y701-F789 AromaticContact CE2-CE1 3.74Å; Y701-F789 HydrophobicContact CE2-CE1 3.74Å; Y701-F789 AromaticContact CZ-CE1 3.89Å; Y701-F808 HydrophobicContact CG-CD1 4.42Å; Y701-F808 PolarHBondContact N-O 3.14Å; Y701-F808 VanDerWaalsContact N-O 3.14Å
702S96.1Very high93.3Very high1 Ų134.5 Ų34.51%0.00718%0.18CC..EExtended strand (participates in β ladder)trans-151.3166.8-171.674.90000113.3E220 Q704 P743 L807 F808E220-S702 WeakPolarHBondContact OE1-CB 3.37Å; E220-S702 PolarHBondContact OE1-OG 2.96Å; S702-Q704 PolarHBondContact OG-NE2 3.28Å; S702-P743 CarbonylContact C-O 3.57Å; S702-P743 WeakPolarHBondContact CA-O 3.34Å; S702-P743 VanDerWaalsContact CB-O 3.27Å; S702-P743 WeakPolarHBondContact CB-O 3.04Å; S702-L807 WeakPolarHBondContact O-CA 3.43Å; S702-F808 PolarHBondContact N-O 2.82Å; S702-F808 PolarHBondContact O-N 3.31Å
703G96.1Very high93.9Very high0 Ų029.9 Ų29.90%015%0.153CC..EExtended strand (participates in β ladder)trans-120.7162.316800000111.7N742 P743 A806G703-N742 WeakPolarHBondContact O-CA 3.29Å; G703-P743 PolarHBondContact N-O 3.08Å; G703-P743 WeakPolarHBondContact O-CD 3.43Å; G703-A806 CarbonylContact C-O 3.51Å; G703-A806 WeakPolarHBondContact CA-O 3.44Å
704Q95.8Very high94.1Very high2 Ų229 Ų291%0.00915%0.146CC..EExtended strand (participates in β ladder)trans-135.8129.3178.8-52.787.153.800110.8S702 L706 I741 P805 A806S702-Q704 PolarHBondContact OG-NE2 3.28Å; Q704-L706 PolarHBondContact O-N 3.03Å; Q704-I741 WeakPolarHBondContact CA-O 3.31Å; Q704-P805 WeakPolarHBondContact O-CA 3.4Å; Q704-A806 PolarHBondContact N-O 3.17Å; Q704-A806 PolarHBondContact O-N 2.86Å
705F95.8Very high94.4Very high21 Ų2128.9 Ų28.99%0.09214%0.144CC..SBendtrans47.450.8177-51-73.3000114.4F174 L212 L215 C216 A740 I741 L804 P805F174-F705 AromaticContact CD1-CD1 3.83Å; F174-F705 HydrophobicContact CD1-CD1 3.83Å; F174-F705 AromaticContact CD1-CE1 3.57Å; F174-F705 HydrophobicContact CD1-CE1 3.57Å; F174-F705 HydrophobicContact CD1-CZ 4.26Å; F174-F705 HydrophobicContact CE1-CD1 4.04Å; F174-F705 AromaticContact CE1-CE1 3.66Å; F174-F705 HydrophobicContact CE1-CE1 3.66Å; F174-F705 HydrophobicContact CE1-CE2 4.45Å; F174-F705 AromaticContact CE1-CZ 3.89Å; F174-F705 HydrophobicContact CE1-CZ 3.89Å; L212-F705 HydrophobicContact CD2-CZ 4.14Å; L215-F705 HydrophobicContact CD2-CE1 3.78Å; L215-F705 HydrophobicContact CD2-CZ 4.08Å; L215-F705 HydrophobicContact CG-CE1 4.03Å; L215-F705 HydrophobicContact CG-CZ 4.3Å; C216-F705 HydrophobicContact CB-CE1 4.45Å; C216-F705 HydrophobicContact CB-CE2 4.14Å; C216-F705 HydrophobicContact CB-CZ 3.72Å; F705-A740 CarbonylContact C-O 3.45Å; F705-A740 WeakPolarHBondContact CA-O 3.47Å; F705-A740 PolarHBondContact N-O 3.36Å; F705-I741 HydrophobicContact CD1-CG2 4.18Å; F705-I741 HydrophobicContact CE1-CG2 3.88Å; F705-I741 PolarHBondContact N-O 3.23Å; F705-L804 HydrophobicContact CB-CB 3.94Å; F705-L804 HydrophobicContact CB-CD2 3.82Å; F705-L804 HydrophobicContact CB-CG 4.43Å; F705-L804 HydrophobicContact CD1-CD2 4.34Å; F705-L804 HydrophobicContact CD2-CD2 4Å; F705-L804 HydrophobicContact CG-CD2 3.81Å; F705-P805 WeakPolarHBondContact O-CA 3.41Å; F705-P805 WeakPolarHBondContact O-CG 3.11Å
706L94.6Very high94.5Very high6 Ų630 Ų303%0.03115%0.148CC..  trans-74.5-38.5-170.5-60.7-180000113.7Q704 T713 A740 P743 W745 V767 V775 L794 P805 A806 L807Q704-L706 PolarHBondContact O-N 3.03Å; L706-T713 HydrophobicContact CB-CG2 4.35Å; L706-T713 HydrophobicContact CD1-CG2 4.18Å; L706-A740 PolarHBondContact N-O 3.14Å; L706-P743 HydrophobicContact CD1-CG 3.62Å; L706-P743 HydrophobicContact CG-CG 4.44Å; L706-W745 HydrophobicContact CD1-CH2 3.8Å; L706-W745 HydrophobicContact CD1-CZ2 4.42Å; L706-V767 HydrophobicContact CD1-CG1 4.07Å; L706-V767 HydrophobicContact CD2-CG1 4.46Å; L706-V775 HydrophobicContact CB-CG1 4.34Å; L706-V775 WeakPolarHBondContact O-CG1 3.49Å; L706-L794 HydrophobicContact CD2-CD1 4.04Å; L706-P805 HydrophobicContact CD2-CB 4.34Å; L706-A806 WeakPolarHBondContact CD2-O 3.36Å; L706-L807 HydrophobicContact CD2-CD2 4.34Å
707S91.9Very high94.6Very high19 Ų1930.1 Ų30.113%0.13315%0.149CC..  trans-136.9153.5179.9-170.80000111K709 E769S707-K709 PolarHBondContact O-N 2.9Å; S707-E769 PolarHBondContact OG-OE1 3.38Å
708E88.4Confident94.7Very high153 Ų15330 Ų3072%0.71515%0.146SC*.SBendtrans-69.3-12.5174.3-62.6-176.816200112.7P175 A176P175-E708 HydrophobicContact CG-CB 3.81Å; P175-E708 HydrophobicContact CG-CG 4.23Å; P175-E708 WeakPolarHBondContact CG-O 3.42Å; A176-E708 WeakPolarHBondContact CA-O 3.12Å; A176-E708 PolarHBondContact N-O 3.26Å
709K89.7Confident94.7Very high143 Ų14330.5 Ų30.562%0.62215%0.15SC*.SBendtrans-115.5146.4-179.7-60.8178.6-176.9177.80110S707 V711 A740S707-K709 PolarHBondContact O-N 2.9Å; K709-V711 HydrophobicContact CB-CG1 3.93Å; K709-V711 PolarHBondContact O-N 2.84Å; K709-A740 WeakPolarHBondContact O-CB 3.4Å
710S90.2Very high94.6Very high57 Ų5730 Ų3040%0.39915%0.148SC..  trans-71.396.8166.3-76.90000109.7A176 P738A176-S710 PolarHBondContact O-OG 3.32Å; S710-P738 CarbonylContact C-O 3.52Å; S710-P738 VanDerWaalsContact CA-O 3.24Å; S710-P738 WeakPolarHBondContact CA-O 3.47Å; S710-P738 WeakPolarHBondContact CB-O 3.3Å
711V92.9Very high94.5Very high31 Ų3130.5 Ų30.519%0.18815%0.153CC..  trans-137.4157.8-179.9-64.20000109.5K709 T713 P738 E769K709-V711 HydrophobicContact CB-CG1 3.93Å; K709-V711 PolarHBondContact O-N 2.84Å; V711-T713 HydrophobicContact CG2-CG2 4.5Å; V711-P738 PolarHBondContact N-O 2.88Å; V711-P738 CarbonylContact O-C 3.5Å; V711-E769 HydrophobicContact CG2-CB 4.39Å; V711-E769 HydrophobicContact CG2-CG 3.84Å
712K94.5Very high94.3Very high65 Ų6529.3 Ų29.328%0.28315%0.149SC..  trans-73.6148.5171.3-54.6-179.1-145.5146.70110.3W734 S735 P738 E770K712-W734 HydrophobicContact CD-CB 4.43Å; K712-S735 VanDerWaalsContact CA-OG 3.27Å; K712-S735 WeakPolarHBondContact CA-OG 3.45Å; K712-S735 WeakPolarHBondContact CD-O 3.47Å; K712-S735 WeakPolarHBondContact CG-O 3.35Å; K712-P738 HydrophobicContact CG-CB 4.37Å; K712-E770 HydrophobicContact CB-CB 4.14Å; K712-E770 WeakPolarHBondContact CD-OE2 3.24Å; K712-E770 WeakPolarHBondContact CE-OE2 3.21Å; K712-E770 WeakPolarHBondContact CG-OE2 3.48Å; K712-E770 VanDerWaalsContact NZ-CD 3.31Å; K712-E770 IonicContact NZ-OE1 2.77Å; K712-E770 PolarHBondContact NZ-OE1 3.19Å; K712-E770 IonicContact NZ-OE2 3.43Å; K712-E770 PolarHBondContact NZ-OE2 3.31Å; K712-E770 VanDerWaalsContact NZ-OE2 3.14Å; K712-E770 PolarHBondContact O-N 3.17Å
713T95Very high94.1Very high0 Ų031 Ų310%016%0.16CC..EExtended strand (participates in β ladder)trans-133.3158.1-179.950.50000111.4L706 V711 S735 W745 H768L706-T713 HydrophobicContact CB-CG2 4.35Å; L706-T713 HydrophobicContact CD1-CG2 4.18Å; V711-T713 HydrophobicContact CG2-CG2 4.5Å; T713-S735 PolarHBondContact N-OG 3.15Å; T713-S735 VanDerWaalsContact N-OG 3.07Å; T713-S735 PolarHBondContact O-N 3.27Å; T713-W745 PolarHBondContact O-NE1 3.36Å; T713-H768 WeakPolarHBondContact CA-O 3.36Å
714G94.9Very high93.8Very high1 Ų132.6 Ų32.61%0.0118%0.176CC..EExtended strand (participates in β ladder)trans-148.3154.4175.900000111.1T732 H768G714-T732 WeakPolarHBondContact CA-OG1 2.87Å; G714-H768 PolarHBondContact N-O 3.4Å; G714-H768 PolarHBondContact O-N 3.31Å
715V97Very high93.6Very high0 Ų032.9 Ų32.90%018%0.178CC..EExtended strand (participates in β ladder)trans-113.1131-176.7-169.60000109.7I700 V717 R731 T732 W745 I765 V766 V767 L807I700-V715 HydrophobicContact CG2-CB 4.3Å; I700-V715 HydrophobicContact CG2-CG2 4.01Å; V715-V717 HydrophobicContact CG1-CG2 4.2Å; V715-R731 CarbonylContact O-C 3.53Å; V715-R731 VanDerWaalsContact O-CA 3.32Å; V715-R731 WeakPolarHBondContact O-CA 3.37Å; V715-T732 HydrophobicContact CB-CG2 3.91Å; V715-T732 HydrophobicContact CG2-CG2 4.41Å; V715-T732 PolarHBondContact N-OG1 2.89Å; V715-T732 PolarHBondContact O-N 2.83Å; V715-W745 HydrophobicContact CG2-CE3 4.28Å; V715-W745 HydrophobicContact CG2-CH2 3.49Å; V715-W745 VanDerWaalsContact CG2-CH2 3.49Å; V715-W745 HydrophobicContact CG2-CZ2 3.94Å; V715-W745 HydrophobicContact CG2-CZ3 3.68Å; V715-I765 HydrophobicContact CG1-CG2 3.6Å; V715-V766 CarbonylContact C-O 3.46Å; V715-V766 WeakPolarHBondContact CA-O 3.47Å; V715-V767 HydrophobicContact CG2-CG2 4.25Å; V715-L807 HydrophobicContact CG1-CD1 3.85Å; V715-L807 HydrophobicContact CG2-CD1 4.25Å; V715-L807 HydrophobicContact CG2-CD2 3.92Å
716E96.3Very high93.3Very high52 Ų5233.3 Ų33.324%0.24318%0.183CC..EExtended strand (participates in β ladder)trans-105.3142170.2-65.8-170144.900110.3Y730 R731 I765 V766 H768E716-Y730 WeakPolarHBondContact CA-O 3.3Å; E716-R731 HydrophobicContact CG-CB 4.2Å; E716-R731 HydrophobicContact CG-CG 3.82Å; E716-R731 WeakPolarHBondContact OE1-CD 3.42Å; E716-R731 IonicContact OE1-CZ 2.73Å; E716-R731 IonicContact OE1-NE 3.49Å; E716-R731 IonicContact OE1-NH1 2.67Å; E716-R731 PolarHBondContact OE1-NH1 3.37Å; E716-I765 CarbonylContact O-C 3.58Å; E716-I765 WeakPolarHBondContact O-CA 3.34Å; E716-V766 PolarHBondContact N-O 2.86Å; E716-V766 PolarHBondContact O-N 3.29Å; E716-H768 IonicContact OE2-CE1 2.64Å; E716-H768 PolarHBondContact OE2-CE1 2.9Å; E716-H768 IonicContact OE2-ND1 3.62Å
717V97.4Very high93Very high2 Ų240.2 Ų40.21%0.01221%0.212CC..EExtended strand (participates in β ladder)trans-138.1129.1-177.4-170.80000110I698 I700 V715 Y730 F750 F752 L763 R764 I765I698-V717 HydrophobicContact CG2-CG1 3.98Å; I700-V717 HydrophobicContact CD1-CG2 4.13Å; I700-V717 HydrophobicContact CG1-CG2 4.29Å; V715-V717 HydrophobicContact CG1-CG2 4.2Å; V717-Y730 PolarHBondContact N-O 2.96Å; V717-Y730 PolarHBondContact O-N 2.89Å; V717-F750 HydrophobicContact CB-CD2 3.9Å; V717-F750 HydrophobicContact CB-CE2 4.3Å; V717-F750 HydrophobicContact CG2-CD2 3.79Å; V717-F750 HydrophobicContact CG2-CE2 3.85Å; V717-F752 HydrophobicContact CG1-CE2 4.05Å; V717-F752 HydrophobicContact CG1-CZ 3.92Å; V717-L763 HydrophobicContact CG1-CD1 3.49Å; V717-L763 VanDerWaalsContact CG1-CD1 3.49Å; V717-R764 WeakPolarHBondContact CA-O 3.36Å; V717-I765 HydrophobicContact CG1-CG1 4.3Å; V717-I765 HydrophobicContact CG2-CG1 4.45Å; V717-I765 HydrophobicContact CG2-CG2 4.44Å
718E96.3Very high92.9Very high19 Ų1945.2 Ų45.29%0.08923%0.232CC..EExtended strand (participates in β ladder)trans-145.9152.9179.165-172.715100111.7I720 K729 R764E718-I720 HydrophobicContact CG-CG1 4.49Å; E718-K729 HydrophobicContact CB-CG 4.21Å; E718-K729 IonicContact OE1-NZ 3.18Å; E718-K729 WeakPolarHBondContact OE2-CD 3.32Å; E718-K729 WeakPolarHBondContact OE2-CE 3.41Å; E718-K729 IonicContact OE2-NZ 2.79Å; E718-K729 PolarHBondContact OE2-NZ 3.08Å; E718-R764 HydrophobicContact CG-CB 3.85Å; E718-R764 HydrophobicContact CG-CG 4.31Å; E718-R764 PolarHBondContact N-O 3.03Å; E718-R764 PolarHBondContact O-N 3.14Å; E718-R764 WeakPolarHBondContact OE1-CD 3.5Å; E718-R764 IonicContact OE1-CZ 2.64Å; E718-R764 IonicContact OE1-NE 3.88Å; E718-R764 IonicContact OE1-NH1 3.22Å; E718-R764 PolarHBondContact OE1-NH1 2.93Å
719V96.4Very high93.2Very high12 Ų1244.7 Ų44.77%0.07323%0.227CC..EExtended strand (participates in β ladder)trans-103.8137.9170.71730000109.3L696 F752 I755 A761 S762 L763L696-V719 HydrophobicContact CD2-CG2 3.88Å; V719-F752 HydrophobicContact CB-CD1 4.01Å; V719-F752 HydrophobicContact CB-CE1 4.28Å; V719-F752 HydrophobicContact CG2-CB 4.1Å; V719-F752 HydrophobicContact CG2-CD1 3.5Å; V719-F752 HydrophobicContact CG2-CD2 4.07Å; V719-F752 HydrophobicContact CG2-CE1 3.81Å; V719-F752 HydrophobicContact CG2-CE2 4.35Å; V719-F752 HydrophobicContact CG2-CG 3.64Å; V719-F752 HydrophobicContact CG2-CZ 4.22Å; V719-I755 HydrophobicContact CG1-CD1 4.23Å; V719-I755 HydrophobicContact CG2-CD1 4.35Å; V719-A761 HydrophobicContact CG1-CB 4.39Å; V719-S762 WeakPolarHBondContact CA-O 3.34Å; V719-L763 HydrophobicContact CG2-CD1 4.24Å
720I95.8Very high93.4Very high17 Ų1739.8 Ų39.89%0.08721%0.205CC..EExtended strand (participates in β ladder)trans-121.1124.7-178.2-55.4156.1000107Q631 F650 L654 E718 A761 S762 R764Q631-I720 HydrophobicContact CB-CG2 4.14Å; Q631-I720 HydrophobicContact CG-CG2 3.96Å; F650-I720 HydrophobicContact CE2-CD1 3.54Å; F650-I720 HydrophobicContact CZ-CD1 3.55Å; F650-I720 HydrophobicContact CZ-CG1 4.06Å; L654-I720 HydrophobicContact CD1-CD1 4.16Å; L654-I720 HydrophobicContact CD2-CG2 3.98Å; E718-I720 HydrophobicContact CG-CG1 4.49Å; I720-A761 CarbonylContact O-C 3.5Å; I720-A761 VanDerWaalsContact O-CA 3.27Å; I720-A761 WeakPolarHBondContact O-CA 3.41Å; I720-S762 PolarHBondContact N-O 3.1Å; I720-S762 PolarHBondContact O-N 2.65Å; I720-R764 HydrophobicContact CD1-CB 3.74Å
721G93.4Very high93.6Very high11 Ų1142.7 Ų42.711%0.11321%0.207CC..  trans-174.3-137.1-173.100000113.6Q631 N635 D725Q631-G721 WeakPolarHBondContact CG-O 3.44Å; N635-G721 PolarHBondContact ND2-O 3.21Å; G721-D725 WeakPolarHBondContact CA-OD2 3.39Å
722L92.9Very high93.7Very high4 Ų441.5 Ų41.52%0.02120%0.2CC..SBendtrans-68.7157.2176.5-68.3-176.3000112.3N635 F681 P683 I688 G724 D725 L756 L757N635-L722 HydrophobicContact CB-CD2 4.09Å; F681-L722 HydrophobicContact CZ-CD1 4.26Å; F681-L722 HydrophobicContact CZ-CD2 4.2Å; P683-L722 HydrophobicContact CB-CD2 4.22Å; I688-L722 HydrophobicContact CD1-CD1 4.19Å; L722-G724 PolarHBondContact O-N 2.75Å; L722-G724 VanDerWaalsContact O-N 3.11Å; L722-D725 PolarHBondContact N-OD2 2.93Å; L722-D725 WeakPolarHBondContact O-CB 3.42Å; L722-D725 PolarHBondContact O-N 3.48Å; L722-L756 HydrophobicContact CD1-CB 4.14Å; L722-L757 HydrophobicContact CD1-CB 3.61Å; L722-L757 HydrophobicContact CD1-CD2 4.07Å; L722-L757 HydrophobicContact CD1-CG 4.5Å; L722-L757 HydrophobicContact CG-CB 4.2Å
723P91.3Very high93.6Very high36 Ų3645.2 Ų45.223%0.23422%0.216CC..THydrogen-bonded Turntrans-55.9-22172.7-26.334.7000115.4P683 F684 K727P683-P723 WeakPolarHBondContact O-CD 3.34Å; F684-P723 HydrophobicContact CD1-CB 3.56Å; F684-P723 HydrophobicContact CD1-CG 3.73Å; F684-P723 HydrophobicContact CE1-CB 3.61Å; F684-P723 HydrophobicContact CE1-CG 3.51Å; F684-P723 HydrophobicContact CG-CG 4.43Å; F684-P723 HydrophobicContact CZ-CG 4.04Å; P723-K727 WeakPolarHBondContact O-CE 3.45Å; P723-K727 PolarHBondContact O-NZ 2.81Å
724G89.1Confident93.4Very high34 Ų3449.3 Ų49.335%0.35123%0.232SC..THydrogen-bonded Turntrans-92.5-5.7174.900000115.3L722L722-G724 PolarHBondContact O-N 2.75Å; L722-G724 VanDerWaalsContact O-N 3.11Å
725D92.1Very high93.2Very high8 Ų849.4 Ų49.44%0.04323%0.232CC..SBendtrans-74.8159.9179.1-71-26.2000112.2G721 L722 K727 L756G721-D725 WeakPolarHBondContact CA-OD2 3.39Å; L722-D725 PolarHBondContact N-OD2 2.93Å; L722-D725 WeakPolarHBondContact O-CB 3.42Å; L722-D725 PolarHBondContact O-N 3.48Å; D725-K727 PolarHBondContact O-N 2.87Å; D725-L756 WeakPolarHBondContact OD1-CB 3.36Å; D725-L756 PolarHBondContact OD1-N 2.94Å
726P89.4Confident92.6Very high29 Ų2955.8 Ų55.819%0.18827%0.271CS..  trans-60101.8-179.7-29.538.6000115.7K728 F752 E753P726-K728 VanDerWaalsContact C-N 3.25Å; P726-K728 PolarHBondContact O-N 2.85Å; P726-F752 HydrophobicContact CB-CB 4.2Å; P726-F752 HydrophobicContact CB-CD1 4.05Å; P726-F752 HydrophobicContact CG-CB 4.27Å; P726-E753 WeakPolarHBondContact CG-O 3.49Å
727K88.6Confident92.2Very high151 Ų15156.8 Ų56.866%0.65728%0.281SS*.  trans-816.7176.7-62.9169.7-164.8161.80114.7P723 D725 K729P723-K727 WeakPolarHBondContact O-CE 3.45Å; P723-K727 PolarHBondContact O-NZ 2.81Å; D725-K727 PolarHBondContact O-N 2.87Å; K727-K729 PolarHBondContact O-N 2.79Å
728K90.3Very high91.8Very high125 Ų12560.1 Ų60.154%0.54330%0.303SS..  trans-71.9112.6-178.5-177.8178.1173.2-167.20109.4P726 Y730 F752P726-K728 VanDerWaalsContact C-N 3.25Å; P726-K728 PolarHBondContact O-N 2.85Å; K728-Y730 HydrophobicContact CB-CE2 4.34Å; K728-Y730 HydrophobicContact CD-CE1 4.16Å; K728-Y730 HydrophobicContact CD-CE2 3.81Å; K728-Y730 VanDerWaalsContact CE-CE1 3.45Å; K728-Y730 WeakPolarHBondContact CE-OH 3.44Å; K728-Y730 HydrophobicContact CG-CD2 4.28Å; K728-Y730 HydrophobicContact CG-CE2 3.95Å; K728-Y730 VanDerWaalsContact NZ-CZ 3.33Å; K728-Y730 PolarHBondContact NZ-OH 3.03Å; K728-F752 WeakPolarHBondContact O-CE1 3.49Å
729K93.3Very high91.4Very high142 Ų14260.9 Ų60.962%0.61731%0.308SS*.  trans-78.4127.2170.9-55.1-164.2-175.3-135.50109.3E718 K727E718-K729 HydrophobicContact CB-CG 4.21Å; E718-K729 IonicContact OE1-NZ 3.18Å; E718-K729 WeakPolarHBondContact OE2-CD 3.32Å; E718-K729 WeakPolarHBondContact OE2-CE 3.41Å; E718-K729 IonicContact OE2-NZ 2.79Å; E718-K729 PolarHBondContact OE2-NZ 3.08Å; K727-K729 PolarHBondContact O-N 2.79Å
730Y95.3Very high91Very high40 Ų4060.3 Ų60.316%0.15730%0.304CS..EExtended strand (participates in β ladder)trans-101.7150.3172-71.3-93.3000110.2E716 V717 K728 F750 V751 F752E716-Y730 WeakPolarHBondContact CA-O 3.3Å; V717-Y730 PolarHBondContact N-O 2.96Å; V717-Y730 PolarHBondContact O-N 2.89Å; K728-Y730 HydrophobicContact CB-CE2 4.34Å; K728-Y730 HydrophobicContact CD-CE1 4.16Å; K728-Y730 HydrophobicContact CD-CE2 3.81Å; K728-Y730 VanDerWaalsContact CE-CE1 3.45Å; K728-Y730 WeakPolarHBondContact CE-OH 3.44Å; K728-Y730 HydrophobicContact CG-CD2 4.28Å; K728-Y730 HydrophobicContact CG-CE2 3.95Å; K728-Y730 VanDerWaalsContact NZ-CZ 3.33Å; K728-Y730 PolarHBondContact NZ-OH 3.03Å; Y730-F750 VanDerWaalsContact CB-CD2 3.47Å; Y730-F750 VanDerWaalsContact CB-CG 3.49Å; Y730-F750 HydrophobicContact CD1-CB 3.83Å; Y730-F750 AromaticContact CD1-CD1 3.42Å; Y730-F750 HydrophobicContact CD1-CD1 3.42Å; Y730-F750 VanDerWaalsContact CD1-CD1 3.42Å; Y730-F750 HydrophobicContact CD1-CE1 4.09Å; Y730-F750 AromaticContact CD1-CG 3.67Å; Y730-F750 HydrophobicContact CD1-CG 3.67Å; Y730-F750 HydrophobicContact CD2-CB 3.9Å; Y730-F750 HydrophobicContact CD2-CG 4.33Å; Y730-F750 HydrophobicContact CE1-CB 4.17Å; Y730-F750 HydrophobicContact CE1-CD1 4.12Å; Y730-F750 HydrophobicContact CE1-CG 4.41Å; Y730-F750 HydrophobicContact CE2-CB 4.2Å; Y730-F750 HydrophobicContact CG-CB 3.67Å; Y730-F750 AromaticContact CG-CD1 3.85Å; Y730-F750 HydrophobicContact CG-CD1 3.85Å; Y730-F750 HydrophobicContact CG-CD2 4.11Å; Y730-F750 AromaticContact CG-CG 3.61Å; Y730-F750 HydrophobicContact CG-CG 3.61Å; Y730-V751 WeakPolarHBondContact CE2-O 3.47Å; Y730-V751 PolarHBondContact OH-O 2.84Å; Y730-F752 HydrophobicContact CD2-CD1 4.47Å; Y730-F752 AromaticContact CD2-CE1 3.69Å; Y730-F752 HydrophobicContact CD2-CE1 3.69Å; Y730-F752 HydrophobicContact CD2-CE2 4.09Å; Y730-F752 AromaticContact CD2-CZ 3.46Å; Y730-F752 HydrophobicContact CD2-CZ 3.46Å; Y730-F752 VanDerWaalsContact CD2-CZ 3.46Å; Y730-F752 HydrophobicContact CE2-CD1 4.18Å; Y730-F752 AromaticContact CE2-CE1 3.84Å; Y730-F752 HydrophobicContact CE2-CE1 3.84Å; Y730-F752 HydrophobicContact CE2-CE2 4.25Å; Y730-F752 AromaticContact CE2-CZ 3.88Å; Y730-F752 HydrophobicContact CE2-CZ 3.88Å
731R94.1Very high90.9Very high117 Ų11759.7 Ų59.744%0.44230%0.301SS..EExtended strand (participates in β ladder)trans-147.4132.4179.5-175.9170-178.5152.4-8.3109.4V715 E716V715-R731 CarbonylContact O-C 3.53Å; V715-R731 VanDerWaalsContact O-CA 3.32Å; V715-R731 WeakPolarHBondContact O-CA 3.37Å; E716-R731 HydrophobicContact CG-CB 4.2Å; E716-R731 HydrophobicContact CG-CG 3.82Å; E716-R731 WeakPolarHBondContact OE1-CD 3.42Å; E716-R731 IonicContact OE1-CZ 2.73Å; E716-R731 IonicContact OE1-NE 3.49Å; E716-R731 IonicContact OE1-NH1 2.67Å; E716-R731 PolarHBondContact OE1-NH1 3.37Å
732T94.3Very high91Very high6 Ų660.1 Ų60.14%0.03730%0.301CS..PPolyproline II helixtrans-67.5157.8171.669.70000110I700 G714 V715 W745 E747 F750I700-T732 HydrophobicContact CB-CG2 4.12Å; I700-T732 HydrophobicContact CG1-CG2 4.36Å; I700-T732 HydrophobicContact CG2-CG2 4.11Å; G714-T732 WeakPolarHBondContact CA-OG1 2.87Å; V715-T732 HydrophobicContact CB-CG2 3.91Å; V715-T732 HydrophobicContact CG2-CG2 4.41Å; V715-T732 PolarHBondContact N-OG1 2.89Å; V715-T732 PolarHBondContact O-N 2.83Å; T732-W745 HydrophobicContact CG2-CG 4.45Å; T732-E747 HydrophobicContact CG2-CG 4.05Å; T732-F750 HydrophobicContact CG2-CE2 4.3Å; T732-F750 HydrophobicContact CG2-CZ 3.99Å
733K92.1Very high91.1Very high144 Ų14460 Ų6063%0.62630%0.3SS*.PPolyproline II helixtrans-56.2157.8158.8-62.8166.7-162.3101.30109.4W745 E747K733-W745 PolarHBondContact O-NE1 2.81Å; K733-E747 VanDerWaalsContact CB-OE1 3.29Å; K733-E747 WeakPolarHBondContact CB-OE1 3.47Å; K733-E747 WeakPolarHBondContact CD-OE1 3.47Å; K733-E747 WeakPolarHBondContact CG-OE1 3.49Å; K733-E747 PolarHBondContact N-OE1 2.83Å; K733-E747 IonicContact NZ-OE1 3.68Å; K733-E747 PolarHBondContact NZ-OE1 2.88Å; K733-E747 IonicContact NZ-OE2 2.63Å; K733-E747 PolarHBondContact NZ-OE2 2.89Å
734W92.4Very high91.2Very high85 Ų8560.9 Ų60.932%0.32231%0.305SS..PPolyproline II helixtrans-62.8144.9167.3-62.9120.8000110K712 T736 E769 E770K712-W734 HydrophobicContact CD-CB 4.43Å; W734-T736 PolarHBondContact O-N 2.91Å; W734-E769 WeakPolarHBondContact CH2-O 3.08Å; W734-E770 HydrophobicContact CD2-CG 4.5Å; W734-E770 HydrophobicContact CE3-CB 4.48Å; W734-E770 VanDerWaalsContact CH2-CA 3.46Å; W734-E770 HydrophobicContact CZ3-CB 4.47Å
735S89.7Confident91.4Very high4 Ų460.6 Ų60.63%0.02829%0.293CS..PPolyproline II helixtrans-56.2131.6175.3620000110.3K712 T713 T737K712-S735 VanDerWaalsContact CA-OG 3.27Å; K712-S735 WeakPolarHBondContact CA-OG 3.45Å; K712-S735 WeakPolarHBondContact CD-O 3.47Å; K712-S735 WeakPolarHBondContact CG-O 3.35Å; T713-S735 PolarHBondContact N-OG 3.15Å; T713-S735 VanDerWaalsContact N-OG 3.07Å; T713-S735 PolarHBondContact O-N 3.27Å; S735-T737 PolarHBondContact O-N 3.34Å; S735-T737 VanDerWaalsContact O-N 3.1Å; S735-T737 PolarHBondContact OG-O 3.42Å
736T84.2Confident91.1Very high133 Ų13362.6 Ų62.682%0.81630%0.304SS*.SBendtrans-56.8-32.6-171.253.50000113.6W734W734-T736 PolarHBondContact O-N 2.91Å
737T87.6Confident90.9Very high74 Ų7462.3 Ų62.345%0.45430%0.3SS..SBendtrans-116.3159.617551.80000110.4S735 N739S735-T737 PolarHBondContact O-N 3.34Å; S735-T737 VanDerWaalsContact O-N 3.1Å; S735-T737 PolarHBondContact OG-O 3.42Å; T737-N739 PolarHBondContact O-N 2.92Å
738P88.6Confident91.1Very high72 Ų7261.8 Ų61.847%0.46830%0.3SS..SBendtrans-73.947173.533.1-37000112.3S710 V711 K712S710-P738 CarbonylContact C-O 3.52Å; S710-P738 VanDerWaalsContact CA-O 3.24Å; S710-P738 WeakPolarHBondContact CA-O 3.47Å; S710-P738 WeakPolarHBondContact CB-O 3.3Å; V711-P738 PolarHBondContact N-O 2.88Å; V711-P738 CarbonylContact O-C 3.5Å; K712-P738 HydrophobicContact CG-CB 4.37Å
739N88.5Confident91.3Very high34 Ų3458.2 Ų58.218%0.18229%0.29CS..  trans-94.4108.4-179.2174.610.8000110.1T737 I741 N742 P743T737-N739 PolarHBondContact O-N 2.92Å; N739-I741 PolarHBondContact OD1-N 3.33Å; N739-N742 PolarHBondContact ND2-O 2.87Å; N739-N742 PolarHBondContact ND2-OD1 3.46Å; N739-N742 PolarHBondContact OD1-N 3.09Å; N739-N742 PolarHBondContact OD1-OD1 2.92Å; N739-P743 WeakPolarHBondContact O-CB 3Å; N739-P743 WeakPolarHBondContact O-CD 3.41Å; N739-P743 WeakPolarHBondContact O-CG 3.4Å
740A89.1Confident91.4Very high0 Ų052.1 Ų52.10%026%0.263CS..SBendtrans-95.5-4.6173.700000113.9F705 L706 K709F705-A740 CarbonylContact C-O 3.45Å; F705-A740 WeakPolarHBondContact CA-O 3.47Å; F705-A740 PolarHBondContact N-O 3.36Å; L706-A740 PolarHBondContact N-O 3.14Å; K709-A740 WeakPolarHBondContact O-CB 3.4Å
741I93.3Very high91.4Very high4 Ų452.5 Ų52.52%0.02127%0.269CS..SBendtrans-84.1-47.2-177.6-69.3176.1000111.4A176 D177 L215 C216 Q704 F705 N739A176-I741 HydrophobicContact CB-CD1 4.22Å; A176-I741 HydrophobicContact CB-CG1 3.98Å; D177-I741 HydrophobicContact CB-CD1 3.68Å; L215-I741 HydrophobicContact CD1-CD1 4.35Å; C216-I741 HydrophobicContact CB-CG2 4.44Å; Q704-I741 WeakPolarHBondContact CA-O 3.31Å; F705-I741 HydrophobicContact CD1-CG2 4.18Å; F705-I741 HydrophobicContact CE1-CG2 3.88Å; F705-I741 PolarHBondContact N-O 3.23Å; N739-I741 PolarHBondContact OD1-N 3.33Å
742N94.3Very high91.5Very high20 Ų2047 Ų4711%0.10725%0.249CC..SBendtrans-147.758.8177.571.6-32.1000113R180 P217 G703 N739 V744R180-N742 VanDerWaalsContact CZ-OD1 3.3Å; R180-N742 PolarHBondContact NH1-OD1 3.09Å; R180-N742 PolarHBondContact NH2-ND2 3.31Å; R180-N742 VanDerWaalsContact NH2-ND2 3.13Å; R180-N742 PolarHBondContact NH2-OD1 2.73Å; P217-N742 PolarHBondContact O-ND2 3.04Å; G703-N742 WeakPolarHBondContact O-CA 3.29Å; N739-N742 PolarHBondContact ND2-O 2.87Å; N739-N742 PolarHBondContact ND2-OD1 3.46Å; N739-N742 PolarHBondContact OD1-N 3.09Å; N739-N742 PolarHBondContact OD1-OD1 2.92Å; N742-V744 PolarHBondContact O-N 3.03Å
743P94.6Very high91.3Very high3 Ų352.8 Ų52.82%0.01928%0.275CS..  trans-61.2133.3173.124.9-31.1000110.7S702 G703 L706 N739 W745S702-P743 CarbonylContact C-O 3.57Å; S702-P743 WeakPolarHBondContact CA-O 3.34Å; S702-P743 VanDerWaalsContact CB-O 3.27Å; S702-P743 WeakPolarHBondContact CB-O 3.04Å; G703-P743 PolarHBondContact N-O 3.08Å; G703-P743 WeakPolarHBondContact O-CD 3.43Å; L706-P743 HydrophobicContact CD1-CG 3.62Å; L706-P743 HydrophobicContact CG-CG 4.44Å; N739-P743 WeakPolarHBondContact O-CB 3Å; N739-P743 WeakPolarHBondContact O-CD 3.41Å; N739-P743 WeakPolarHBondContact O-CG 3.4Å; P743-W745 HydrophobicContact CB-CH2 4.37Å; P743-W745 HydrophobicContact CB-CZ2 4.15Å; P743-W745 HydrophobicContact CG-CH2 4.04Å; P743-W745 HydrophobicContact CG-CZ2 4.2Å
744V94.8Very high91.2Very high53 Ų5348.2 Ų48.232%0.32126%0.255SS..BIsolated β-bridgetrans-114.5132.6171.6-177.40000107.3P219 N742 N746P219-V744 HydrophobicContact CG-CG2 4.33Å; N742-V744 PolarHBondContact O-N 3.03Å; V744-N746 HydrophobicContact CG1-CB 4.26Å
745W92.4Very high91.2Very high28 Ų2844.1 Ų44.111%0.10624%0.24CC..  trans-112.4-36.5175.3-57.7-86.8000111.8I700 Y701 L706 T713 V715 T732 K733 P743 E747 L807I700-W745 HydrophobicContact CG2-CE3 3.91Å; I700-W745 HydrophobicContact CG2-CZ3 4.2Å; Y701-W745 PolarHBondContact O-N 3.39Å; L706-W745 HydrophobicContact CD1-CH2 3.8Å; L706-W745 HydrophobicContact CD1-CZ2 4.42Å; T713-W745 PolarHBondContact O-NE1 3.36Å; V715-W745 HydrophobicContact CG2-CE3 4.28Å; V715-W745 HydrophobicContact CG2-CH2 3.49Å; V715-W745 VanDerWaalsContact CG2-CH2 3.49Å; V715-W745 HydrophobicContact CG2-CZ2 3.94Å; V715-W745 HydrophobicContact CG2-CZ3 3.68Å; T732-W745 HydrophobicContact CG2-CG 4.45Å; K733-W745 PolarHBondContact O-NE1 2.81Å; P743-W745 HydrophobicContact CB-CH2 4.37Å; P743-W745 HydrophobicContact CB-CZ2 4.15Å; P743-W745 HydrophobicContact CG-CH2 4.04Å; P743-W745 HydrophobicContact CG-CZ2 4.2Å; W745-E747 HydrophobicContact CB-CG 3.94Å; W745-E747 PolarHBondContact O-N 2.98Å; W745-E747 VanDerWaalsContact O-N 3.13Å; W745-L807 HydrophobicContact CH2-CD2 4.13Å; W745-L807 HydrophobicContact CZ3-CD2 3.93Å
746N86.2Confident91.3Very high50 Ų5044.3 Ų44.327%0.26724%0.24SC..  trans46.137.6-179-157.84.9000114.3K699 Y701 V744K699-N746 WeakPolarHBondContact CE-OD1 3.46Å; K699-N746 PolarHBondContact NZ-O 2.91Å; K699-N746 VanDerWaalsContact NZ-O 3.12Å; K699-N746 PolarHBondContact NZ-OD1 2.87Å; Y701-N746 PolarHBondContact O-N 3.04Å; Y701-N746 VanDerWaalsContact O-N 3.1Å; V744-N746 HydrophobicContact CG1-CB 4.26Å
747E85.7Confident91.6Very high23 Ų2338 Ų3811%0.10720%0.202CC..PPolyproline II helixtrans-65.3166.4-174.2-68.3-80.7-160.900112.7K699 I700 T732 K733 W745 F750K699-E747 VanDerWaalsContact CD-O 3.29Å; K699-E747 WeakPolarHBondContact CD-O 3.34Å; K699-E747 WeakPolarHBondContact CE-O 3.16Å; K699-E747 WeakPolarHBondContact CG-O 3.47Å; K699-E747 PolarHBondContact NZ-O 3.48Å; I700-E747 PolarHBondContact O-N 3.38Å; T732-E747 HydrophobicContact CG2-CG 4.05Å; K733-E747 VanDerWaalsContact CB-OE1 3.29Å; K733-E747 WeakPolarHBondContact CB-OE1 3.47Å; K733-E747 WeakPolarHBondContact CD-OE1 3.47Å; K733-E747 WeakPolarHBondContact CG-OE1 3.49Å; K733-E747 PolarHBondContact N-OE1 2.83Å; K733-E747 IonicContact NZ-OE1 3.68Å; K733-E747 PolarHBondContact NZ-OE1 2.88Å; K733-E747 IonicContact NZ-OE2 2.63Å; K733-E747 PolarHBondContact NZ-OE2 2.89Å; W745-E747 HydrophobicContact CB-CG 3.94Å; W745-E747 PolarHBondContact O-N 2.98Å; W745-E747 VanDerWaalsContact O-N 3.13Å; E747-F750 HydrophobicContact CB-CE1 4.45Å
748E91.9Very high91.8Very high140 Ų14035.1 Ų35.165%0.65418%0.184SC*.PPolyproline II helixtrans-63.5149170.7-70-50.6132.500112.1F750E748-F750 WeakPolarHBondContact O-CD1 3.46Å; E748-F750 PolarHBondContact O-N 2.96Å
749P94.6Very high91.9Very high51 Ų5135.8 Ų35.833%0.33118%0.181SC..PPolyproline II helixtrans-59.7130.2-178.9-20.231000112.6T697 K699 V751T697-P749 HydrophobicContact CG2-CB 3.52Å; K699-P749 HydrophobicContact CB-CB 4.28Å; K699-P749 HydrophobicContact CB-CG 4.29Å; K699-P749 HydrophobicContact CD-CG 4.22Å; P749-V751 PolarHBondContact O-N 2.97Å
750F96.1Very high92Very high14 Ų1434.9 Ų34.96%0.06118%0.176CC..EExtended strand (participates in β ladder)trans-81.1108.9172.4-56.6-22.4000108.8I698 I700 V717 Y730 T732 E747 E748 F752I698-F750 HydrophobicContact CG2-CB 4.13Å; I698-F750 PolarHBondContact N-O 3.01Å; I698-F750 WeakPolarHBondContact O-CB 3.42Å; I698-F750 PolarHBondContact O-N 3.23Å; I700-F750 HydrophobicContact CG1-CD2 4.3Å; I700-F750 HydrophobicContact CG1-CE2 3.89Å; V717-F750 HydrophobicContact CB-CD2 3.9Å; V717-F750 HydrophobicContact CB-CE2 4.3Å; V717-F750 HydrophobicContact CG2-CD2 3.79Å; V717-F750 HydrophobicContact CG2-CE2 3.85Å; Y730-F750 VanDerWaalsContact CB-CD2 3.47Å; Y730-F750 VanDerWaalsContact CB-CG 3.49Å; Y730-F750 HydrophobicContact CD1-CB 3.83Å; Y730-F750 AromaticContact CD1-CD1 3.42Å; Y730-F750 HydrophobicContact CD1-CD1 3.42Å; Y730-F750 VanDerWaalsContact CD1-CD1 3.42Å; Y730-F750 HydrophobicContact CD1-CE1 4.09Å; Y730-F750 AromaticContact CD1-CG 3.67Å; Y730-F750 HydrophobicContact CD1-CG 3.67Å; Y730-F750 HydrophobicContact CD2-CB 3.9Å; Y730-F750 HydrophobicContact CD2-CG 4.33Å; Y730-F750 HydrophobicContact CE1-CB 4.17Å; Y730-F750 HydrophobicContact CE1-CD1 4.12Å; Y730-F750 HydrophobicContact CE1-CG 4.41Å; Y730-F750 HydrophobicContact CE2-CB 4.2Å; Y730-F750 HydrophobicContact CG-CB 3.67Å; Y730-F750 AromaticContact CG-CD1 3.85Å; Y730-F750 HydrophobicContact CG-CD1 3.85Å; Y730-F750 HydrophobicContact CG-CD2 4.11Å; Y730-F750 AromaticContact CG-CG 3.61Å; Y730-F750 HydrophobicContact CG-CG 3.61Å; T732-F750 HydrophobicContact CG2-CE2 4.3Å; T732-F750 HydrophobicContact CG2-CZ 3.99Å; E747-F750 HydrophobicContact CB-CE1 4.45Å; E748-F750 WeakPolarHBondContact O-CD1 3.46Å; E748-F750 PolarHBondContact O-N 2.96Å; F750-F752 HydrophobicContact CB-CE2 4.13Å
751V95.4Very high92.3Very high47 Ų4734.9 Ų34.929%0.28518%0.176SC..EExtended strand (participates in β ladder)trans-97.7130.6-178.4-168.50000110.8T695 T697 Y730 P749 E753T695-V751 HydrophobicContact CG2-CG1 3.96Å; T697-V751 HydrophobicContact CG2-CG2 4.28Å; Y730-V751 WeakPolarHBondContact CE2-O 3.47Å; Y730-V751 PolarHBondContact OH-O 2.84Å; P749-V751 PolarHBondContact O-N 2.97Å; V751-E753 HydrophobicContact CG1-CG 3.69Å
752F95.3Very high92.5Very high2 Ų234.9 Ų34.91%0.00918%0.176CC..EExtended strand (participates in β ladder)trans-119.187.9172.6-56.5-94.8000107.8L696 I698 V717 V719 P726 K728 Y730 F750 I755L696-F752 HydrophobicContact CB-CB 4.29Å; L696-F752 HydrophobicContact CD2-CD2 4.02Å; L696-F752 HydrophobicContact CG-CD2 4.25Å; L696-F752 PolarHBondContact N-O 3.14Å; L696-F752 PolarHBondContact O-N 3.06Å; I698-F752 HydrophobicContact CG2-CE2 3.96Å; V717-F752 HydrophobicContact CG1-CE2 4.05Å; V717-F752 HydrophobicContact CG1-CZ 3.92Å; V719-F752 HydrophobicContact CB-CD1 4.01Å; V719-F752 HydrophobicContact CB-CE1 4.28Å; V719-F752 HydrophobicContact CG2-CB 4.1Å; V719-F752 HydrophobicContact CG2-CD1 3.5Å; V719-F752 HydrophobicContact CG2-CD2 4.07Å; V719-F752 HydrophobicContact CG2-CE1 3.81Å; V719-F752 HydrophobicContact CG2-CE2 4.35Å; V719-F752 HydrophobicContact CG2-CG 3.64Å; V719-F752 HydrophobicContact CG2-CZ 4.22Å; P726-F752 HydrophobicContact CB-CB 4.2Å; P726-F752 HydrophobicContact CB-CD1 4.05Å; P726-F752 HydrophobicContact CG-CB 4.27Å; K728-F752 WeakPolarHBondContact O-CE1 3.49Å; Y730-F752 HydrophobicContact CD2-CD1 4.47Å; Y730-F752 AromaticContact CD2-CE1 3.69Å; Y730-F752 HydrophobicContact CD2-CE1 3.69Å; Y730-F752 HydrophobicContact CD2-CE2 4.09Å; Y730-F752 AromaticContact CD2-CZ 3.46Å; Y730-F752 HydrophobicContact CD2-CZ 3.46Å; Y730-F752 VanDerWaalsContact CD2-CZ 3.46Å; Y730-F752 HydrophobicContact CE2-CD1 4.18Å; Y730-F752 AromaticContact CE2-CE1 3.84Å; Y730-F752 HydrophobicContact CE2-CE1 3.84Å; Y730-F752 HydrophobicContact CE2-CE2 4.25Å; Y730-F752 AromaticContact CE2-CZ 3.88Å; Y730-F752 HydrophobicContact CE2-CZ 3.88Å; F750-F752 HydrophobicContact CB-CE2 4.13Å; F752-I755 HydrophobicContact CB-CD1 4.34Å
753E90Very high92.6Very high127 Ų12734 Ų3459%0.59317%0.171SC*.EExtended strand (participates in β ladder)trans-74.2147.6179.7-56.1177-177.300111.4P726 V751P726-E753 WeakPolarHBondContact CG-O 3.49Å; V751-E753 HydrophobicContact CG1-CG 3.69Å
754K90.6Very high92.7Very high48 Ų4834.9 Ų34.921%0.20918%0.175CC..EExtended strand (participates in β ladder)trans57.750.9170.8-161-149-178.5-153.10114.3D686 L756 Y816D686-K754 VanDerWaalsContact O-CE 3.23Å; D686-K754 WeakPolarHBondContact O-CE 3.36Å; D686-K754 PolarHBondContact O-NZ 2.88Å; D686-K754 IonicContact OD1-NZ 3.8Å; D686-K754 PolarHBondContact OD1-NZ 2.63Å; K754-L756 HydrophobicContact CD-CD2 4.08Å; K754-L756 HydrophobicContact CG-CD2 4.1Å; K754-L756 PolarHBondContact O-N 3.23Å; K754-Y816 HydrophobicContact CB-CD1 4.28Å; K754-Y816 HydrophobicContact CB-CD2 3.98Å; K754-Y816 HydrophobicContact CB-CE1 4.08Å; K754-Y816 HydrophobicContact CB-CE2 3.76Å; K754-Y816 HydrophobicContact CB-CG 4.23Å; K754-Y816 HydrophobicContact CG-CD1 4.02Å; K754-Y816 HydrophobicContact CG-CE1 3.74Å; K754-Y816 HydrophobicContact CG-CE2 4.36Å; K754-Y816 HydrophobicContact CG-CG 4.45Å
755I93.1Very high92.9Very high0 Ų032.4 Ų32.40%016%0.16CC..EExtended strand (participates in β ladder)trans-69.5111.6163.2-59.2174.7000107.8A693 S694 L696 V719 F752 P758 A761 I782A693-I755 CarbonylContact C-O 3.46Å; A693-I755 WeakPolarHBondContact CA-O 3.42Å; A693-I755 VanDerWaalsContact CB-O 3.23Å; A693-I755 WeakPolarHBondContact CB-O 3.34Å; S694-I755 PolarHBondContact N-O 2.8Å; S694-I755 WeakPolarHBondContact O-CB 3.25Å; S694-I755 PolarHBondContact O-N 3.05Å; L696-I755 HydrophobicContact CB-CD1 3.7Å; L696-I755 HydrophobicContact CD2-CD1 4.43Å; V719-I755 HydrophobicContact CG1-CD1 4.23Å; V719-I755 HydrophobicContact CG2-CD1 4.35Å; F752-I755 HydrophobicContact CB-CD1 4.34Å; I755-P758 HydrophobicContact CG2-CG 4.44Å; I755-A761 HydrophobicContact CG2-CB 3.55Å; I755-I782 HydrophobicContact CD1-CG1 4.43Å
756L91.6Very high93.1Very high7 Ų731.1 Ų31.14%0.03716%0.155CC..SBendtrans-70.5-38.3-168.5-63.4175.6000113.4D686 V691 L722 D725 K754D686-L756 WeakPolarHBondContact O-CD2 3.35Å; V691-L756 WeakPolarHBondContact CG1-O 3.27Å; L722-L756 HydrophobicContact CD1-CB 4.14Å; D725-L756 WeakPolarHBondContact OD1-CB 3.36Å; D725-L756 PolarHBondContact OD1-N 2.94Å; K754-L756 HydrophobicContact CD-CD2 4.08Å; K754-L756 HydrophobicContact CG-CD2 4.1Å; K754-L756 PolarHBondContact O-N 3.23Å
757L91.1Very high93.6Very high1 Ų128.8 Ų28.81%0.00514%0.142CC..  trans-138.381.7-175.2-176.851.7000111.3F681 I688 V691 L722 E759 M760 A761F681-L757 HydrophobicContact CZ-CD2 4.32Å; I688-L757 HydrophobicContact CD1-CB 4.2Å; I688-L757 HydrophobicContact CD1-CD2 4.41Å; V691-L757 HydrophobicContact CG1-CD1 3.8Å; V691-L757 HydrophobicContact CG2-CD1 4.11Å; L722-L757 HydrophobicContact CD1-CB 3.61Å; L722-L757 HydrophobicContact CD1-CD2 4.07Å; L722-L757 HydrophobicContact CD1-CG 4.5Å; L722-L757 HydrophobicContact CG-CB 4.2Å; L757-E759 PolarHBondContact O-N 3.07Å; L757-E759 VanDerWaalsContact O-N 3.08Å; L757-M760 HydrophobicContact CD2-CB 4.06Å; L757-M760 HydrophobicContact CD2-CG 3.73Å; L757-M760 HydrophobicContact CD2-SD 3.46Å; L757-M760 WeakPolarHBondContact CD2-SD 3.35Å; L757-M760 HydrophobicContact CG-CB 3.99Å; L757-M760 HydrophobicContact CG-CG 3.97Å; L757-M760 HydrophobicContact CG-SD 4.36Å; L757-M760 PolarHBondContact O-N 3.15Å; L757-A761 PolarHBondContact O-N 3.01Å
758P91.2Very high94.1Very high14 Ų1429.2 Ų29.29%0.09114%0.144CC..THydrogen-bonded Turntrans-56.7-26.4-173.5-28.336000115.9S694 I755 M760 I782 D783S694-P758 VanDerWaalsContact OG-CG 3.3Å; S694-P758 WeakPolarHBondContact OG-CG 3.47Å; I755-P758 HydrophobicContact CG2-CG 4.44Å; P758-M760 VanDerWaalsContact C-N 3.34Å; P758-I782 HydrophobicContact CB-CB 4.23Å; P758-I782 HydrophobicContact CB-CG2 4.11Å; P758-D783 PolarHBondContact O-N 3.38Å
759E90.5Very high94.2Very high85 Ų8522.8 Ų22.840%0.39711%0.114SC..THydrogen-bonded Turntrans-70-29.3176.1-166.6-179.8106.100112.8H671 L757 D783H671-E759 WeakPolarHBondContact CA-OE1 3.25Å; H671-E759 VanDerWaalsContact CB-OE1 3.28Å; H671-E759 WeakPolarHBondContact CB-OE1 3.32Å; H671-E759 IonicContact CD2-OE1 2.71Å; H671-E759 PolarHBondContact CD2-OE1 3Å; H671-E759 IonicContact CD2-OE2 3.89Å; H671-E759 IonicContact CG-OE1 3.68Å; L757-E759 PolarHBondContact O-N 3.07Å; L757-E759 VanDerWaalsContact O-N 3.08Å; E759-D783 HydrophobicContact CB-CB 4.45Å
760M91.2Very high94Very high16 Ų1624.6 Ų24.68%0.07912%0.118CC..THydrogen-bonded Turntrans-98.6-5177.5-65.4-16964.900113.5F320 Q631 W634 H671 M674 L757 P758F320-M760 HydrophobicContact CE2-CE 4.45Å; F320-M760 HydrophobicContact CZ-CE 3.93Å; Q631-M760 PolarHBondContact NE2-O 3.3Å; Q631-M760 VanDerWaalsContact NE2-O 3.1Å; W634-M760 WeakPolarHBondContact O-CE 3.47Å; H671-M760 HydrophobicContact CB-CG 4.45Å; H671-M760 HydrophobicContact CB-SD 4.45Å; M674-M760 HydrophobicContact CE-CE 4.32Å; M674-M760 HydrophobicContact CE-SD 4.5Å; M674-M760 HydrophobicContact SD-CE 3.76Å; M674-M760 HydrophobicContact SD-SD 3.48Å; L757-M760 HydrophobicContact CD2-CB 4.06Å; L757-M760 HydrophobicContact CD2-CG 3.73Å; L757-M760 HydrophobicContact CD2-SD 3.46Å; L757-M760 WeakPolarHBondContact CD2-SD 3.35Å; L757-M760 HydrophobicContact CG-CB 3.99Å; L757-M760 HydrophobicContact CG-CG 3.97Å; L757-M760 HydrophobicContact CG-SD 4.36Å; L757-M760 PolarHBondContact O-N 3.15Å; P758-M760 VanDerWaalsContact C-N 3.34Å
761A95.1Very high93.7Very high0 Ų029.2 Ų29.20%014%0.143CC..  trans-91.6148177.400000111.9V719 I720 I755 L757 P781 I782V719-A761 HydrophobicContact CG1-CB 4.39Å; I720-A761 CarbonylContact O-C 3.5Å; I720-A761 VanDerWaalsContact O-CA 3.27Å; I720-A761 WeakPolarHBondContact O-CA 3.41Å; I755-A761 HydrophobicContact CG2-CB 3.55Å; L757-A761 PolarHBondContact O-N 3.01Å; A761-P781 WeakPolarHBondContact O-CA 3.47Å; A761-I782 HydrophobicContact CB-CG1 3.82Å; A761-I782 PolarHBondContact O-N 2.9Å
762S96.7Very high93.3Very high3 Ų329.4 Ų29.42%0.02116%0.155CC..EExtended strand (participates in β ladder)trans-139.8135.4175-71.60000111.9L658 V719 I720 I780 P781L658-S762 WeakPolarHBondContact CD2-OG 3.39Å; V719-S762 WeakPolarHBondContact CA-O 3.34Å; I720-S762 PolarHBondContact N-O 3.1Å; I720-S762 PolarHBondContact O-N 2.65Å; S762-I780 CarbonylContact C-O 3.55Å; S762-I780 WeakPolarHBondContact CA-O 3.45Å; S762-P781 WeakPolarHBondContact OG-CA 3.5Å
763L97.1Very high93.2Very high1 Ų134.4 Ų34.41%0.00518%0.177CC..EExtended strand (participates in β ladder)trans-80.9127.8170.1179.561.3000109.4L696 I698 V717 V719 I765 I779 I780 I782 I785L696-L763 HydrophobicContact CD2-CB 4.29Å; L696-L763 HydrophobicContact CD2-CD1 3.82Å; L696-L763 HydrophobicContact CD2-CD2 4.14Å; L696-L763 HydrophobicContact CD2-CG 4.3Å; I698-L763 HydrophobicContact CD1-CD2 3.97Å; V717-L763 HydrophobicContact CG1-CD1 3.49Å; V717-L763 VanDerWaalsContact CG1-CD1 3.49Å; V719-L763 HydrophobicContact CG2-CD1 4.24Å; L763-I765 HydrophobicContact CD2-CD1 4.04Å; L763-I765 HydrophobicContact CD2-CG1 4.27Å; L763-I765 HydrophobicContact CG-CD1 4.41Å; L763-I765 HydrophobicContact CG-CG1 4.12Å; L763-I779 CarbonylContact O-C 3.55Å; L763-I779 VanDerWaalsContact O-CA 3.26Å; L763-I779 WeakPolarHBondContact O-CA 3.31Å; L763-I780 PolarHBondContact N-O 2.68Å; L763-I780 PolarHBondContact O-N 3.37Å; L763-I782 HydrophobicContact CB-CD1 3.77Å; L763-I785 HydrophobicContact CD2-CD1 3.69Å
764R97.4Very high93.4Very high23 Ų2330.2 Ų30.29%0.08716%0.157CC..EExtended strand (participates in β ladder)trans-110.8129.8169.4178.2166-174.7-104.83.8109.8F650 V717 E718 I720 V766 I779F650-R764 VanDerWaalsContact CD2-CZ 3.49Å; F650-R764 VanDerWaalsContact CE2-CD 3.44Å; V717-R764 WeakPolarHBondContact CA-O 3.36Å; E718-R764 HydrophobicContact CG-CB 3.85Å; E718-R764 HydrophobicContact CG-CG 4.31Å; E718-R764 PolarHBondContact N-O 3.03Å; E718-R764 PolarHBondContact O-N 3.14Å; E718-R764 WeakPolarHBondContact OE1-CD 3.5Å; E718-R764 IonicContact OE1-CZ 2.64Å; E718-R764 IonicContact OE1-NE 3.88Å; E718-R764 IonicContact OE1-NH1 3.22Å; E718-R764 PolarHBondContact OE1-NH1 2.93Å; I720-R764 HydrophobicContact CD1-CB 3.74Å; R764-V766 HydrophobicContact CG-CG2 3.86Å; R764-V766 VanDerWaalsContact CZ-CG2 3.43Å; R764-I779 HydrophobicContact CB-CG1 3.85Å; R764-I779 HydrophobicContact CG-CD1 4.18Å; R764-I779 HydrophobicContact CG-CG1 3.74Å
765I97.8Very high93.6Very high1 Ų128.8 Ų28.81%0.00515%0.152CC..EExtended strand (participates in β ladder)trans-122.4130.3174.5-56.5168.4000107.4I698 V715 E716 V717 L763 H777 R778 I792 L807I698-I765 HydrophobicContact CD1-CD1 3.69Å; I698-I765 HydrophobicContact CD1-CG1 4.4Å; V715-I765 HydrophobicContact CG1-CG2 3.6Å; E716-I765 CarbonylContact O-C 3.58Å; E716-I765 WeakPolarHBondContact O-CA 3.34Å; V717-I765 HydrophobicContact CG1-CG1 4.3Å; V717-I765 HydrophobicContact CG2-CG1 4.45Å; V717-I765 HydrophobicContact CG2-CG2 4.44Å; L763-I765 HydrophobicContact CD2-CD1 4.04Å; L763-I765 HydrophobicContact CD2-CG1 4.27Å; L763-I765 HydrophobicContact CG-CD1 4.41Å; L763-I765 HydrophobicContact CG-CG1 4.12Å; I765-H777 CarbonylContact O-C 3.51Å; I765-H777 WeakPolarHBondContact O-CA 3.45Å; I765-H777 WeakPolarHBondContact O-CB 3.34Å; I765-R778 PolarHBondContact N-O 3.03Å; I765-R778 PolarHBondContact O-N 2.71Å; I765-I792 HydrophobicContact CD1-CD1 3.53Å; I765-L807 HydrophobicContact CG2-CD1 3.57Å
766V97.4Very high93.7Very high1 Ų128.8 Ų28.81%0.00615%0.152CC..EExtended strand (participates in β ladder)trans-132.8138.5-179.2-164.50000110.1V715 E716 R764 H768 F774 H777V715-V766 CarbonylContact C-O 3.46Å; V715-V766 WeakPolarHBondContact CA-O 3.47Å; E716-V766 PolarHBondContact N-O 2.86Å; E716-V766 PolarHBondContact O-N 3.29Å; R764-V766 HydrophobicContact CG-CG2 3.86Å; R764-V766 VanDerWaalsContact CZ-CG2 3.43Å; V766-H768 WeakPolarHBondContact CG1-CE1 3.39Å; V766-F774 HydrophobicContact CG1-CD2 3.85Å; V766-F774 HydrophobicContact CG1-CE2 3.75Å; V766-H777 HydrophobicContact CG1-CB 4.29Å; V766-H777 HydrophobicContact CG2-CB 4.29Å
767V96.9Very high94Very high0 Ų028.5 Ų28.50%015%0.15CC..EExtended strand (participates in β ladder)trans-107.4133172.7-176.90000109.9L706 V715 V775 G776 L794 L807L706-V767 HydrophobicContact CD1-CG1 4.07Å; L706-V767 HydrophobicContact CD2-CG1 4.46Å; V715-V767 HydrophobicContact CG2-CG2 4.25Å; V767-V775 HydrophobicContact CB-CB 3.99Å; V767-V775 HydrophobicContact CB-CG1 4.22Å; V767-V775 HydrophobicContact CG1-CB 3.86Å; V767-V775 HydrophobicContact CG1-CG1 4Å; V767-V775 HydrophobicContact CG1-CG2 4.15Å; V767-V775 WeakPolarHBondContact O-CB 3.21Å; V767-V775 PolarHBondContact O-N 3.48Å; V767-G776 PolarHBondContact N-O 2.71Å; V767-L794 HydrophobicContact CB-CD1 4.14Å; V767-L794 HydrophobicContact CG2-CD1 3.55Å; V767-L794 HydrophobicContact CG2-CD2 4.26Å; V767-L807 HydrophobicContact CG2-CD1 3.81Å; V767-L807 HydrophobicContact CG2-CD2 3.97Å; V767-L807 HydrophobicContact CG2-CG 4.1Å
768H94.9Very high94.3Very high32 Ų3229 Ų2915%0.14815%0.153CC..EExtended strand (participates in β ladder)trans-125.3147.2177-62.3108.2000111.2T713 G714 E716 V766 K773T713-H768 WeakPolarHBondContact CA-O 3.36Å; G714-H768 PolarHBondContact N-O 3.4Å; G714-H768 PolarHBondContact O-N 3.31Å; E716-H768 IonicContact OE2-CE1 2.64Å; E716-H768 PolarHBondContact OE2-CE1 2.9Å; E716-H768 IonicContact OE2-ND1 3.62Å; V766-H768 WeakPolarHBondContact CG1-CE1 3.39Å; H768-K773 WeakPolarHBondContact CA-O 3.2Å
769E94.3Very high94.6Very high6 Ų628.4 Ų28.43%0.02815%0.148CC..EExtended strand (participates in β ladder)trans-76159.9162.9-65.4-179.7-174.500110.4S707 V711 W734 N771 G772 K773 V775S707-E769 PolarHBondContact OG-OE1 3.38Å; V711-E769 HydrophobicContact CG2-CB 4.39Å; V711-E769 HydrophobicContact CG2-CG 3.84Å; W734-E769 WeakPolarHBondContact CH2-O 3.08Å; E769-N771 VanDerWaalsContact CB-OD1 3.29Å; E769-N771 WeakPolarHBondContact CB-OD1 3.33Å; E769-N771 PolarHBondContact O-N 2.88Å; E769-N771 VanDerWaalsContact O-N 3.1Å; E769-N771 PolarHBondContact OE2-ND2 3.4Å; E769-G772 PolarHBondContact O-N 2.88Å; E769-K773 HydrophobicContact CB-CB 4.32Å; E769-K773 PolarHBondContact N-O 3.11Å; E769-K773 IonicContact OE1-NZ 3.93Å; E769-K773 PolarHBondContact OE1-NZ 2.85Å; E769-K773 IonicContact OE2-NZ 2.75Å; E769-V775 HydrophobicContact CG-CG2 3.74Å
770E91.2Very high94.9Very high88 Ų8824.4 Ų24.441%0.41113%0.13SC..THydrogen-bonded Turntrans-55.3-28178.6-173.2166.7-149.500114.4K712 W734 G772K712-E770 HydrophobicContact CB-CB 4.14Å; K712-E770 WeakPolarHBondContact CD-OE2 3.24Å; K712-E770 WeakPolarHBondContact CE-OE2 3.21Å; K712-E770 WeakPolarHBondContact CG-OE2 3.48Å; K712-E770 VanDerWaalsContact NZ-CD 3.31Å; K712-E770 IonicContact NZ-OE1 2.77Å; K712-E770 PolarHBondContact NZ-OE1 3.19Å; K712-E770 IonicContact NZ-OE2 3.43Å; K712-E770 PolarHBondContact NZ-OE2 3.31Å; K712-E770 VanDerWaalsContact NZ-OE2 3.14Å; K712-E770 PolarHBondContact O-N 3.17Å; W734-E770 HydrophobicContact CD2-CG 4.5Å; W734-E770 HydrophobicContact CE3-CB 4.48Å; W734-E770 VanDerWaalsContact CH2-CA 3.46Å; W734-E770 HydrophobicContact CZ3-CB 4.47Å; E770-G772 PolarHBondContact O-N 3.43Å
771N88.3Confident95.1Very high111 Ų11124.4 Ų24.459%0.59413%0.131SC*.THydrogen-bonded Turntrans-78.40.9175.860.130000114.1E769 K773E769-N771 VanDerWaalsContact CB-OD1 3.29Å; E769-N771 WeakPolarHBondContact CB-OD1 3.33Å; E769-N771 PolarHBondContact O-N 2.88Å; E769-N771 VanDerWaalsContact O-N 3.1Å; E769-N771 PolarHBondContact OE2-ND2 3.4Å; N771-K773 WeakPolarHBondContact OD1-CB 3.38Å; N771-K773 PolarHBondContact OD1-N 3.46Å
772G87.1Confident95Very high52 Ų5224.4 Ų24.454%0.53613%0.131SC..SBendtrans85.7-2.9-177.100000115.5E769 E770 F774E769-G772 PolarHBondContact O-N 2.88Å; E770-G772 PolarHBondContact O-N 3.43Å; G772-F774 PolarHBondContact O-N 2.8Å
773K93.2Very high94.7Very high106 Ų10626.8 Ų26.846%0.46114%0.143SC..  trans-65.2133.2177.6172173.2158.5-73.40111.2H768 E769 N771H768-K773 WeakPolarHBondContact CA-O 3.2Å; E769-K773 HydrophobicContact CB-CB 4.32Å; E769-K773 PolarHBondContact N-O 3.11Å; E769-K773 IonicContact OE1-NZ 3.93Å; E769-K773 PolarHBondContact OE1-NZ 2.85Å; E769-K773 IonicContact OE2-NZ 2.75Å; N771-K773 WeakPolarHBondContact OD1-CB 3.38Å; N771-K773 PolarHBondContact OD1-N 3.46Å
774F94.5Very high94.5Very high40 Ų4026.8 Ų26.818%0.17514%0.144CC..EExtended strand (participates in β ladder)trans-62.4135.3170.3-177.1-95.1000111.4V766 G772 H777 E797V766-F774 HydrophobicContact CG1-CD2 3.85Å; V766-F774 HydrophobicContact CG1-CE2 3.75Å; G772-F774 PolarHBondContact O-N 2.8Å; F774-H777 HydrophobicContact CE2-CB 3.87Å; F774-H777 HydrophobicContact CZ-CB 3.85Å; F774-H777 AromaticContact CZ-ND1 3.84Å; F774-E797 HydrophobicContact CD1-CG 3.88Å; F774-E797 WeakPolarHBondContact CD1-OE1 3.44Å; F774-E797 VanDerWaalsContact CE1-CD 3.45Å; F774-E797 HydrophobicContact CE1-CG 3.59Å; F774-E797 HydrophobicContact CZ-CG 4.01Å
775V94.8Very high94.2Very high18 Ų1825.7 Ų25.711%0.10914%0.14CC..EExtended strand (participates in β ladder)trans-105.5-44173.5167.70000111.1L706 V767 E769 L802L706-V775 HydrophobicContact CB-CG1 4.34Å; L706-V775 WeakPolarHBondContact O-CG1 3.49Å; V767-V775 HydrophobicContact CB-CB 3.99Å; V767-V775 HydrophobicContact CB-CG1 4.22Å; V767-V775 HydrophobicContact CG1-CB 3.86Å; V767-V775 HydrophobicContact CG1-CG1 4Å; V767-V775 HydrophobicContact CG1-CG2 4.15Å; V767-V775 WeakPolarHBondContact O-CB 3.21Å; V767-V775 PolarHBondContact O-N 3.48Å; E769-V775 HydrophobicContact CG-CG2 3.74Å; V775-L802 WeakPolarHBondContact O-CD1 3.48Å
776G96.4Very high93.9Very high0 Ų027.9 Ų27.90%015%0.15CC..EExtended strand (participates in β ladder)trans166.1161.7-173.500000110.9V767 R795V767-G776 PolarHBondContact N-O 2.71Å; G776-R795 CarbonylContact C-O 3.55Å; G776-R795 VanDerWaalsContact CA-O 3.31Å; G776-R795 WeakPolarHBondContact CA-O 3.33Å
777H97.3Very high93.7Very high0 Ų028.2 Ų28.20%015%0.152CC..EExtended strand (participates in β ladder)trans-140.2171.3-177.184.5-56.5000112.5I765 V766 F774 R795 S796I765-H777 CarbonylContact O-C 3.51Å; I765-H777 WeakPolarHBondContact O-CA 3.45Å; I765-H777 WeakPolarHBondContact O-CB 3.34Å; V766-H777 HydrophobicContact CG1-CB 4.29Å; V766-H777 HydrophobicContact CG2-CB 4.29Å; F774-H777 HydrophobicContact CE2-CB 3.87Å; F774-H777 HydrophobicContact CZ-CB 3.85Å; F774-H777 AromaticContact CZ-ND1 3.84Å; H777-R795 PolarHBondContact N-O 2.74Å; H777-R795 PolarHBondContact ND1-O 3.08Å; H777-R795 VanDerWaalsContact ND1-O 3.12Å; H777-R795 WeakPolarHBondContact O-CB 3.3Å; H777-R795 PolarHBondContact O-N 3.1Å; H777-S796 PolarHBondContact CE1-O 3.1Å; H777-S796 PolarHBondContact ND1-O 3.36Å
778R97.5Very high93.6Very high13 Ų1328.2 Ų28.25%0.04915%0.152CC..EExtended strand (participates in β ladder)trans-144.7138162.9-171.369.2165.1151.6-8.1108.7N141 E660 I765 I780 I792 R795N141-R778 PolarHBondContact OD1-NH1 3.45Å; N141-R778 PolarHBondContact OD1-NH2 3.28Å; E660-R778 IonicContact OE2-NH1 3.69Å; I765-R778 PolarHBondContact N-O 3.03Å; I765-R778 PolarHBondContact O-N 2.71Å; R778-I780 HydrophobicContact CG-CD1 3.95Å; R778-I780 HydrophobicContact CG-CG1 3.74Å; R778-I792 HydrophobicContact CB-CG2 3.75Å; R778-I792 HydrophobicContact CG-CG2 3.76Å; R778-R795 VanDerWaalsContact NH1-CZ 3.29Å
779I97.6Very high93.6Very high1 Ų127.2 Ų27.21%0.00515%0.147CC..EExtended strand (participates in β ladder)trans-121133.9170-67.9166.2000107.7Q653 L654 A657 L763 R764Q653-I779 HydrophobicContact CB-CD1 4.39Å; L654-I779 HydrophobicContact CB-CD1 4.3Å; L654-I779 HydrophobicContact CD1-CD1 4.34Å; L654-I779 HydrophobicContact CD1-CG2 3.97Å; A657-I779 HydrophobicContact CB-CB 3.6Å; A657-I779 HydrophobicContact CB-CD1 4.32Å; A657-I779 HydrophobicContact CB-CG2 3.87Å; L763-I779 CarbonylContact O-C 3.55Å; L763-I779 VanDerWaalsContact O-CA 3.26Å; L763-I779 WeakPolarHBondContact O-CA 3.31Å; R764-I779 HydrophobicContact CB-CG1 3.85Å; R764-I779 HydrophobicContact CG-CD1 4.18Å; R764-I779 HydrophobicContact CG-CG1 3.74Å
780I96.4Very high93.7Very high1 Ų127 Ų271%0.00515%0.146CC..EExtended strand (participates in β ladder)trans-140.5126.6-177.5-44.2178.3000109.6V300 V301 S762 L763 R778 I785V300-I780 HydrophobicContact CG1-CD1 3.98Å; V300-I780 HydrophobicContact CG2-CD1 4.05Å; V301-I780 HydrophobicContact CG2-CD1 4.2Å; V301-I780 HydrophobicContact CG2-CG1 4.49Å; V301-I780 HydrophobicContact CG2-CG2 4Å; S762-I780 CarbonylContact C-O 3.55Å; S762-I780 WeakPolarHBondContact CA-O 3.45Å; L763-I780 PolarHBondContact N-O 2.68Å; L763-I780 PolarHBondContact O-N 3.37Å; R778-I780 HydrophobicContact CG-CD1 3.95Å; R778-I780 HydrophobicContact CG-CG1 3.74Å; I780-I785 HydrophobicContact CB-CD1 4.33Å; I780-I785 HydrophobicContact CB-CG1 4.49Å; I780-I785 HydrophobicContact CD1-CD1 4.19Å; I780-I785 HydrophobicContact CD1-CG1 4.26Å; I780-I785 HydrophobicContact CG2-CB 3.93Å; I780-I785 HydrophobicContact CG2-CD1 4.41Å; I780-I785 HydrophobicContact CG2-CG1 4.04Å
781P95.4Very high94Very high16 Ų1623.5 Ų23.510%0.10413%0.13CC..EExtended strand (participates in β ladder)trans-60.3143169.5-22.633.3000112.6L658 F661 A761 S762 D783 A784 I785L658-P781 HydrophobicContact CD2-CG 4.01Å; F661-P781 HydrophobicContact CD2-CG 4.14Å; F661-P781 VanDerWaalsContact CE2-CD 3.45Å; F661-P781 HydrophobicContact CE2-CG 3.9Å; F661-P781 VanDerWaalsContact CZ-CD 3.44Å; F661-P781 HydrophobicContact CZ-CG 4.1Å; A761-P781 WeakPolarHBondContact O-CA 3.47Å; S762-P781 WeakPolarHBondContact OG-CA 3.5Å; P781-D783 VanDerWaalsContact C-N 3.28Å; P781-D783 PolarHBondContact O-N 2.98Å; P781-A784 HydrophobicContact CB-CB 4.03Å; P781-A784 HydrophobicContact CG-CB 4.3Å; P781-A784 WeakPolarHBondContact O-CA 3.32Å; P781-A784 PolarHBondContact O-N 3.35Å; P781-I785 PolarHBondContact O-N 2.86Å
782I93.7Very high94.4Very high0 Ų018.2 Ų18.20%010%0.102CC..THydrogen-bonded Turntrans-71-25.5-177.1-50.9-53.6000112.3R251 L696 I755 P758 A761 L763 A784 V813R251-I782 PolarHBondContact NH1-O 2.7Å; R251-I782 VanDerWaalsContact NH1-O 3.08Å; L696-I782 HydrophobicContact CD2-CD1 3.94Å; I755-I782 HydrophobicContact CD1-CG1 4.43Å; P758-I782 HydrophobicContact CB-CB 4.23Å; P758-I782 HydrophobicContact CB-CG2 4.11Å; A761-I782 HydrophobicContact CB-CG1 3.82Å; A761-I782 PolarHBondContact O-N 2.9Å; L763-I782 HydrophobicContact CB-CD1 3.77Å; I782-A784 VanDerWaalsContact C-N 3.27Å; I782-A784 PolarHBondContact O-N 3.13Å; I782-V813 HydrophobicContact CG2-CG1 4.09Å
783D89.9Confident94.8Very high52 Ų5216.5 Ų16.528%0.2788%0.081SC..THydrogen-bonded Turntrans-72.7-12.2167.3165.966.5000113.8M302 K305 P758 E759 P781M302-D783 WeakPolarHBondContact CE-O 3.47Å; K305-D783 VanDerWaalsContact CE-O 3.3Å; K305-D783 WeakPolarHBondContact CE-O 3.28Å; K305-D783 WeakPolarHBondContact CE-OD2 3.35Å; K305-D783 IonicContact NZ-OD1 3.16Å; K305-D783 PolarHBondContact NZ-OD1 3.39Å; K305-D783 IonicContact NZ-OD2 2.78Å; K305-D783 PolarHBondContact NZ-OD2 3.11Å; P758-D783 PolarHBondContact O-N 3.38Å; E759-D783 HydrophobicContact CB-CB 4.45Å; P781-D783 VanDerWaalsContact C-N 3.28Å; P781-D783 PolarHBondContact O-N 2.98Å
784A92Very high95Very high2 Ų211.4 Ų11.42%0.0176%0.059CC..THydrogen-bonded Turntrans-110.3-12.8179.300000114.7V301 M302 K305 F661 P781 I782V301-A784 WeakPolarHBondContact CA-O 3.41Å; V301-A784 HydrophobicContact CG1-CB 4.36Å; M302-A784 PolarHBondContact N-O 3.3Å; K305-A784 HydrophobicContact CB-CB 4.1Å; K305-A784 HydrophobicContact CG-CB 4.16Å; F661-A784 HydrophobicContact CD1-CB 4.23Å; F661-A784 HydrophobicContact CE1-CB 3.59Å; F661-A784 HydrophobicContact CZ-CB 4.2Å; P781-A784 HydrophobicContact CB-CB 4.03Å; P781-A784 HydrophobicContact CG-CB 4.3Å; P781-A784 WeakPolarHBondContact O-CA 3.32Å; P781-A784 PolarHBondContact O-N 3.35Å; I782-A784 VanDerWaalsContact C-N 3.27Å; I782-A784 PolarHBondContact O-N 3.13Å
785I92.8Very high95.1Very high0 Ų09.7 Ų9.70%05%0.051CC..BIsolated β-bridgetrans-80.3142.7-178.5-150.9168.6000111.5R251 V300 L763 I780 P781 I811 V813R251-I785 PolarHBondContact NH2-O 3.2Å; R251-I785 VanDerWaalsContact NH2-O 3.1Å; V300-I785 HydrophobicContact CG2-CG1 4.21Å; V300-I785 WeakPolarHBondContact O-CA 3.44Å; L763-I785 HydrophobicContact CD2-CD1 3.69Å; I780-I785 HydrophobicContact CB-CD1 4.33Å; I780-I785 HydrophobicContact CB-CG1 4.49Å; I780-I785 HydrophobicContact CD1-CD1 4.19Å; I780-I785 HydrophobicContact CD1-CG1 4.26Å; I780-I785 HydrophobicContact CG2-CB 3.93Å; I780-I785 HydrophobicContact CG2-CD1 4.41Å; I780-I785 HydrophobicContact CG2-CG1 4.04Å; P781-I785 PolarHBondContact O-N 2.86Å; I785-I811 HydrophobicContact CD1-CD1 3.91Å; I785-I811 HydrophobicContact CD1-CG2 4.19Å; I785-I811 HydrophobicContact CG1-CD1 4.3Å; I785-I811 HydrophobicContact CG1-CG2 4.45Å; I785-V813 HydrophobicContact CG2-CG2 3.72Å
786Q90.7Very high95.1Very high47 Ų479.4 Ų9.422%0.225%0.05CC..PPolyproline II helixtrans-96.8156.5170.8-61.2-167.418.700111.3S299 V300 M302 H790 I811S299-Q786 PolarHBondContact O-NE2 3.26Å; S299-Q786 PolarHBondContact O-OE1 3.48Å; V300-Q786 PolarHBondContact O-N 2.88Å; M302-Q786 HydrophobicContact CG-CG 3.83Å; Q786-H790 PolarHBondContact O-NE2 3.48Å; Q786-I811 WeakPolarHBondContact O-CG2 3.33Å
787S92.4Very high95Very high7 Ų713 Ų135%0.0497%0.067CC..PPolyproline II helixtrans-94.7139.6172.4-59.10000111.7D249 I811 V813D249-S787 WeakPolarHBondContact OD2-CB 3.37Å; D249-S787 PolarHBondContact OD2-N 2.79Å; D249-S787 PolarHBondContact OD2-OG 3.46Å; S787-I811 CarbonylContact C-O 3.48Å; S787-I811 WeakPolarHBondContact CA-O 3.06Å; S787-V813 PolarHBondContact OG-N 2.89Å
788G94.4Very high94.8Very high0 Ų013.1 Ų13.10%07%0.068CC..EExtended strand (participates in β ladder)trans135.6-165.9170.100000114.1K246 H790 Y810 I811K246-G788 WeakPolarHBondContact O-CA 3.34Å; G788-H790 PolarHBondContact N-NE2 3.33Å; G788-H790 PolarHBondContact O-CD2 3.1Å; G788-Y810 WeakPolarHBondContact O-CA 3.25Å; G788-I811 PolarHBondContact N-O 2.68Å; G788-I811 PolarHBondContact O-N 2.9Å
789F96.3Very high94.7Very high11 Ų1113.1 Ų13.15%0.0487%0.069CC..EExtended strand (participates in β ladder)trans-76.3122.9171.8-67.6-80.8000110.1I224 F242 K246 Q247 L293 Y701 F808 V809 Y810I224-F789 HydrophobicContact CD1-CD1 3.66Å; I224-F789 HydrophobicContact CD1-CE1 3.3Å; I224-F789 HydrophobicContact CD1-CG 4.46Å; I224-F789 HydrophobicContact CD1-CZ 3.86Å; I224-F789 HydrophobicContact CG1-CE1 3.92Å; I224-F789 HydrophobicContact CG1-CZ 3.98Å; I224-F789 HydrophobicContact CG2-CE2 4.15Å; I224-F789 HydrophobicContact CG2-CZ 4.15Å; F242-F789 AromaticContact CE2-CD2 3.62Å; F242-F789 HydrophobicContact CE2-CD2 3.62Å; F242-F789 AromaticContact CE2-CE2 3.86Å; F242-F789 HydrophobicContact CE2-CE2 3.86Å; F242-F789 AromaticContact CZ-CD2 3.85Å; F242-F789 HydrophobicContact CZ-CD2 3.85Å; K246-F789 HydrophobicContact CB-CD2 4.25Å; K246-F789 HydrophobicContact CB-CE2 4.1Å; K246-F789 HydrophobicContact CD-CE2 4.46Å; K246-F789 HydrophobicContact CG-CE2 4.25Å; Q247-F789 PolarHBondContact NE2-O 2.89Å; L293-F789 HydrophobicContact CD2-CB 3.77Å; Y701-F789 HydrophobicContact CE2-CD1 4.41Å; Y701-F789 AromaticContact CE2-CE1 3.74Å; Y701-F789 HydrophobicContact CE2-CE1 3.74Å; Y701-F789 AromaticContact CZ-CE1 3.89Å; F789-F808 HydrophobicContact CB-CE2 4.02Å; F789-F808 HydrophobicContact CB-CZ 3.99Å; F789-F808 HydrophobicContact CD1-CE1 4.22Å; F789-F808 HydrophobicContact CD1-CE2 4.44Å; F789-F808 AromaticContact CD1-CZ 3.72Å; F789-F808 HydrophobicContact CD1-CZ 3.72Å; F789-F808 HydrophobicContact CG-CZ 4.21Å; F789-V809 WeakPolarHBondContact CA-O 3.31Å; F789-Y810 HydrophobicContact CD1-CD2 4.07Å; F789-Y810 HydrophobicContact CD1-CG 4.47Å; F789-Y810 AromaticContact CD2-CD2 3.8Å; F789-Y810 HydrophobicContact CD2-CD2 3.8Å; F789-Y810 HydrophobicContact CD2-CE2 4.33Å; F789-Y810 AromaticContact CE1-CD2 3.93Å; F789-Y810 HydrophobicContact CE1-CD2 3.93Å; F789-Y810 HydrophobicContact CE1-CG 4.2Å; F789-Y810 AromaticContact CE2-CD2 3.66Å; F789-Y810 HydrophobicContact CE2-CD2 3.66Å; F789-Y810 HydrophobicContact CE2-CE2 4.06Å; F789-Y810 HydrophobicContact CG-CD2 4.01Å; F789-Y810 AromaticContact CZ-CD2 3.73Å; F789-Y810 HydrophobicContact CZ-CD2 3.73Å; F789-Y810 HydrophobicContact CZ-CE2 4.41Å; F789-Y810 HydrophobicContact CZ-CG 4.29Å
790H96.2Very high94.6Very high2 Ų214.3 Ų14.31%0.0097%0.074CC..EExtended strand (participates in β ladder)trans-138.2145.1-172.9-66.5-67.3000112.5T298 V300 Q786 G788 F808 V809T298-H790 PolarHBondContact O-ND1 3.41Å; V300-H790 HydrophobicContact CB-CB 3.92Å; V300-H790 HydrophobicContact CG2-CB 3.96Å; Q786-H790 PolarHBondContact O-NE2 3.48Å; G788-H790 PolarHBondContact N-NE2 3.33Å; G788-H790 PolarHBondContact O-CD2 3.1Å; H790-F808 WeakPolarHBondContact O-CD2 3.36Å; H790-V809 HydrophobicContact CB-CG2 4.41Å; H790-V809 PolarHBondContact N-O 3.41Å; H790-V809 PolarHBondContact O-N 3.31Å; H790-V809 VanDerWaalsContact O-N 3.09Å
791H96.7Very high94.4Very high14 Ų1414.9 Ų14.97%0.0658%0.078CC..EExtended strand (participates in β ladder)trans-95.7107.9165.7-74.494.6000110.5R144 R218 L293 M294 C793 L807 F808R144-H791 HydrophobicContact CB-CB 3.75Å; R144-H791 HydrophobicContact CG-CB 4.16Å; R218-H791 PolarHBondContact NH1-NE2 3.31Å; R218-H791 PolarHBondContact NH2-NE2 3.05Å; R218-H791 VanDerWaalsContact NH2-NE2 3.17Å; L293-H791 PolarHBondContact O-ND1 2.98Å; M294-H791 VanDerWaalsContact CG-CE1 3.47Å; M294-H791 WeakPolarHBondContact CG-CE1 3.45Å; H791-C793 PolarHBondContact O-N 3.32Å; H791-L807 CarbonylContact C-O 3.51Å; H791-L807 WeakPolarHBondContact CA-O 3.37Å; H791-F808 AromaticContact CD2-CD2 3.83Å; H791-F808 AromaticContact CE1-CD2 3.49Å; H791-F808 VanDerWaalsContact CE1-CD2 3.49Å; H791-F808 WeakPolarHBondContact CE1-CD2 3.24Å; H791-F808 AromaticContact CE1-CE2 3.85Å; H791-F808 AromaticContact ND1-CD2 3.82Å; H791-F808 AromaticContact NE2-CD2 3.5Å; H791-F808 AromaticContact NE2-CG 3.95Å
792I97Very high94.4Very high1 Ų116.4 Ų16.41%0.0059%0.085CC..EExtended strand (participates in β ladder)trans-88.1106.9176.8-57.5-173.7000109V300 I765 R778 A806 L807 V809 I811V300-I792 HydrophobicContact CB-CG1 4.44Å; V300-I792 HydrophobicContact CG1-CG1 4.26Å; V300-I792 HydrophobicContact CG2-CD1 4.19Å; V300-I792 HydrophobicContact CG2-CG1 4.13Å; I765-I792 HydrophobicContact CD1-CD1 3.53Å; R778-I792 HydrophobicContact CB-CG2 3.75Å; R778-I792 HydrophobicContact CG-CG2 3.76Å; I792-A806 CarbonylContact O-C 3.58Å; I792-A806 VanDerWaalsContact O-CA 3.25Å; I792-A806 WeakPolarHBondContact O-CA 3.38Å; I792-L807 PolarHBondContact N-O 2.57Å; I792-L807 PolarHBondContact O-N 2.93Å; I792-V809 HydrophobicContact CD1-CG1 4.49Å; I792-V809 HydrophobicContact CD1-CG2 3.69Å; I792-V809 HydrophobicContact CG1-CG2 4Å; I792-I811 HydrophobicContact CD1-CD1 4.2Å
793C96.3Very high94.4Very high15 Ų1517.5 Ų17.510%0.1019%0.092CC..EExtended strand (participates in β ladder)trans-73.9129.5169.8-600000109.6F147 H791F147-C793 HydrophobicContact CD2-CB 4.08Å; F147-C793 VanDerWaalsContact CD2-SG 3.56Å; F147-C793 HydrophobicContact CE2-CB 4.01Å; H791-C793 PolarHBondContact O-N 3.32Å
794L96.9Very high94.6Very high0 Ų016.9 Ų16.90%09%0.088CC..EExtended strand (participates in β ladder)trans-83.5165.1-173.1-62.2175.1000112.2L706 V767 L802 P805 L807L706-L794 HydrophobicContact CD2-CD1 4.04Å; V767-L794 HydrophobicContact CB-CD1 4.14Å; V767-L794 HydrophobicContact CG2-CD1 3.55Å; V767-L794 HydrophobicContact CG2-CD2 4.26Å; L794-L802 HydrophobicContact CB-CD1 4.33Å; L794-L802 WeakPolarHBondContact O-CB 3.47Å; L794-L802 PolarHBondContact O-N 3.26Å; L794-P805 HydrophobicContact CB-CB 4.22Å; L794-P805 HydrophobicContact CD1-CB 3.88Å; L794-P805 HydrophobicContact CG-CB 4.46Å; L794-P805 PolarHBondContact N-O 3.05Å; L794-L807 HydrophobicContact CD1-CG 4.42Å; L794-L807 HydrophobicContact CD2-CD1 4.11Å; L794-L807 HydrophobicContact CD2-CG 4.21Å
795R96.4Very high94.8Very high4 Ų417.6 Ų17.62%0.0159%0.093CC..EExtended strand (participates in β ladder)trans-134.7149.6-175.2-61.8-157.6161.2-175.116.4113.7T140 N141 E660 G776 H777 R778 N799 M800T140-R795 VanDerWaalsContact CG2-NH2 3.32Å; T140-R795 PolarHBondContact O-NH2 3.2Å; N141-R795 PolarHBondContact ND2-NH2 3.26Å; N141-R795 PolarHBondContact OD1-NH2 2.79Å; E660-R795 IonicContact OE1-CZ 3.45Å; E660-R795 IonicContact OE1-NH1 2.65Å; E660-R795 PolarHBondContact OE1-NH1 2.72Å; E660-R795 VanDerWaalsContact OE1-NH1 3.09Å; E660-R795 IonicContact OE1-NH2 3.31Å; E660-R795 PolarHBondContact OE1-NH2 2.92Å; E660-R795 IonicContact OE2-CZ 3.14Å; E660-R795 VanDerWaalsContact OE2-CZ 3.3Å; E660-R795 IonicContact OE2-NH1 3.82Å; E660-R795 PolarHBondContact OE2-NH1 3.36Å; E660-R795 IonicContact OE2-NH2 2.7Å; E660-R795 PolarHBondContact OE2-NH2 3.45Å; G776-R795 CarbonylContact C-O 3.55Å; G776-R795 VanDerWaalsContact CA-O 3.31Å; G776-R795 WeakPolarHBondContact CA-O 3.33Å; H777-R795 PolarHBondContact N-O 2.74Å; H777-R795 PolarHBondContact ND1-O 3.08Å; H777-R795 VanDerWaalsContact ND1-O 3.12Å; H777-R795 WeakPolarHBondContact O-CB 3.3Å; H777-R795 PolarHBondContact O-N 3.1Å; R778-R795 VanDerWaalsContact NH1-CZ 3.29Å; R795-N799 WeakPolarHBondContact CD-O 3.3Å; R795-N799 WeakPolarHBondContact CD-OD1 3.36Å; R795-N799 VanDerWaalsContact NH1-CG 3.31Å; R795-N799 PolarHBondContact NH1-ND2 3.01Å; R795-N799 PolarHBondContact NH1-O 3.09Å; R795-N799 PolarHBondContact NH1-OD1 2.92Å; R795-M800 CarbonylContact C-O 3.6Å; R795-M800 WeakPolarHBondContact CA-O 3.49Å; R795-M800 VanDerWaalsContact CB-O 3.27Å; R795-M800 WeakPolarHBondContact CB-O 3.29Å
796S95.4Very high95Very high11 Ų1117.6 Ų17.68%0.0779%0.093CC..  trans-60.3167.9170.366.20000111.6H777 S798 N799 M800H777-S796 PolarHBondContact CE1-O 3.1Å; H777-S796 PolarHBondContact ND1-O 3.36Å; S796-S798 PolarHBondContact O-N 2.79Å; S796-S798 PolarHBondContact OG-OG 2.9Å; S796-N799 WeakPolarHBondContact O-CA 3.43Å; S796-N799 PolarHBondContact O-N 3.49Å; S796-M800 PolarHBondContact N-O 3.05Å; S796-M800 WeakPolarHBondContact OG-CB 3.43Å; S796-M800 PolarHBondContact OG-N 3.25Å
797E93.9Very high95.3Very high76 Ų7615.4 Ų15.436%0.3558%0.083SC..THydrogen-bonded Turntrans-53.9-38.1173.3-53.285.3161.500111.5M648 Q653 F774 N799M648-E797 HydrophobicContact CB-CB 3.81Å; Q653-E797 HydrophobicContact CG-CB 4.43Å; Q653-E797 WeakPolarHBondContact CG-O 3.35Å; F774-E797 HydrophobicContact CD1-CG 3.88Å; F774-E797 WeakPolarHBondContact CD1-OE1 3.44Å; F774-E797 VanDerWaalsContact CE1-CD 3.45Å; F774-E797 HydrophobicContact CE1-CG 3.59Å; F774-E797 HydrophobicContact CZ-CG 4.01Å; E797-N799 PolarHBondContact O-N 2.73Å
798S93.4Very high95.5Very high3 Ų315 Ų152%0.0218%0.08CC..THydrogen-bonded Turntrans-79.914.9175.2660000114.8R65 P105 M656 S796 M800R65-S798 PolarHBondContact NH2-OG 3.16Å; P105-S798 WeakPolarHBondContact O-CB 3.2Å; P105-S798 PolarHBondContact O-OG 3.17Å; M656-S798 VanDerWaalsContact CE-O 3.3Å; M656-S798 WeakPolarHBondContact CE-O 3.42Å; S796-S798 PolarHBondContact O-N 2.79Å; S796-S798 PolarHBondContact OG-OG 2.9Å; S798-M800 VanDerWaalsContact C-N 3.32Å; S798-M800 PolarHBondContact O-N 2.75Å
799N95.9Very high95.7Very high13 Ų1315 Ų157%0.078%0.08CC..SBendtrans58.230-177.1-167.133.7000114.9M656 A657 E660 R795 S796 E797M656-N799 HydrophobicContact CB-CB 3.82Å; M656-N799 PolarHBondContact O-ND2 2.75Å; A657-N799 WeakPolarHBondContact CA-ND2 3.46Å; E660-N799 PolarHBondContact OE2-ND2 3.05Å; E660-N799 VanDerWaalsContact OE2-ND2 3.11Å; R795-N799 WeakPolarHBondContact CD-O 3.3Å; R795-N799 WeakPolarHBondContact CD-OD1 3.36Å; R795-N799 VanDerWaalsContact NH1-CG 3.31Å; R795-N799 PolarHBondContact NH1-ND2 3.01Å; R795-N799 PolarHBondContact NH1-O 3.09Å; R795-N799 PolarHBondContact NH1-OD1 2.92Å; S796-N799 WeakPolarHBondContact O-CA 3.43Å; S796-N799 PolarHBondContact O-N 3.49Å; E797-N799 PolarHBondContact O-N 2.73Å
800M93.5Very high95.7Very high25 Ų2515.8 Ų15.812%0.1238%0.083CC..PPolyproline II helixtrans-89.5146.2172.5-60.3-163-51.800112.1A62 T63 R65 R795 S796 S798 L802A62-M800 VanDerWaalsContact O-SD 3.35Å; T63-M800 HydrophobicContact CG2-CE 3.99Å; R65-M800 PolarHBondContact NH2-SD 3.15Å; R795-M800 CarbonylContact C-O 3.6Å; R795-M800 WeakPolarHBondContact CA-O 3.49Å; R795-M800 VanDerWaalsContact CB-O 3.27Å; R795-M800 WeakPolarHBondContact CB-O 3.29Å; S796-M800 PolarHBondContact N-O 3.05Å; S796-M800 WeakPolarHBondContact OG-CB 3.43Å; S796-M800 PolarHBondContact OG-N 3.25Å; S798-M800 VanDerWaalsContact C-N 3.32Å; S798-M800 PolarHBondContact O-N 2.75Å; M800-L802 PolarHBondContact O-N 3.17Å
801P94.3Very high95.7Very high14 Ų1415.7 Ų15.79%0.0918%0.083CC..EExtended strand (participates in β ladder)trans-73.8120.4-175.530.5-34.9000112.9A62 T140 F147A62-P801 HydrophobicContact CB-CG 3.96Å; T140-P801 HydrophobicContact CG2-CB 4.42Å; T140-P801 HydrophobicContact CG2-CG 3.74Å; F147-P801 HydrophobicContact CE1-CB 3.84Å; F147-P801 HydrophobicContact CE1-CG 4.42Å; F147-P801 HydrophobicContact CZ-CB 3.73Å
802L94.8Very high95.6Very high47 Ų4717 Ų1725%0.2469%0.089CC..EExtended strand (participates in β ladder)trans-79.5133.5171.7-53.7174.3000108.8V775 L794 M800 P805V775-L802 WeakPolarHBondContact O-CD1 3.48Å; L794-L802 HydrophobicContact CB-CD1 4.33Å; L794-L802 WeakPolarHBondContact O-CB 3.47Å; L794-L802 PolarHBondContact O-N 3.26Å; M800-L802 PolarHBondContact O-N 3.17Å; L802-P805 HydrophobicContact CB-CG 4.19Å; L802-P805 HydrophobicContact CD1-CG 4.27Å
803T93.4Very high95.3Very high23 Ų2316.9 Ų16.914%0.1419%0.088CC..EExtended strand (participates in β ladder)trans-83.2-36.6-170.2-60.10000112.9R144 F147 K150 I151R144-T803 PolarHBondContact NH1-O 3.02Å; R144-T803 VanDerWaalsContact NH1-O 3.13Å; F147-T803 HydrophobicContact CB-CG2 4.47Å; F147-T803 HydrophobicContact CD1-CG2 4.29Å; F147-T803 WeakPolarHBondContact O-CG2 3.24Å; K150-T803 HydrophobicContact CB-CG2 4.33Å; K150-T803 HydrophobicContact CD-CG2 3.84Å; K150-T803 HydrophobicContact CG-CG2 4.08Å; K150-T803 PolarHBondContact NZ-OG1 3.24Å; K150-T803 VanDerWaalsContact NZ-OG1 3.07Å; I151-T803 HydrophobicContact CD1-CG2 4.09Å; I151-T803 HydrophobicContact CG1-CG2 3.72Å
804L93.1Very high95.1Very high39 Ų3920.6 Ų20.620%0.20410%0.103CC..EExtended strand (participates in β ladder)trans-87.3-53.4179.5-85.5165.9000113.8R144 I151 M173 F174 F705 A806R144-L804 VanDerWaalsContact CZ-O 3.27Å; R144-L804 PolarHBondContact NH1-O 3.4Å; R144-L804 PolarHBondContact NH2-O 3.44Å; I151-L804 HydrophobicContact CD1-CD2 3.49Å; I151-L804 VanDerWaalsContact CD1-CD2 3.49Å; I151-L804 HydrophobicContact CD1-CG 3.9Å; M173-L804 WeakPolarHBondContact O-CD1 3.36Å; M173-L804 HydrophobicContact SD-CD1 4.36Å; F174-L804 HydrophobicContact CD1-CD2 4.23Å; F174-L804 HydrophobicContact CE1-CD2 3.61Å; F174-L804 HydrophobicContact CZ-CD2 4.37Å; F705-L804 HydrophobicContact CB-CB 3.94Å; F705-L804 HydrophobicContact CB-CD2 3.82Å; F705-L804 HydrophobicContact CB-CG 4.43Å; F705-L804 HydrophobicContact CD1-CD2 4.34Å; F705-L804 HydrophobicContact CD2-CD2 4Å; F705-L804 HydrophobicContact CG-CD2 3.81Å; L804-A806 PolarHBondContact O-N 2.85Å
805P96.3Very high94.7Very high18 Ų1824 Ų2412%0.11712%0.121CC..EExtended strand (participates in β ladder)trans-67.4125.9-173.1-22.434.8000114.3Q704 F705 L706 L794 L802Q704-P805 WeakPolarHBondContact O-CA 3.4Å; F705-P805 WeakPolarHBondContact O-CA 3.41Å; F705-P805 WeakPolarHBondContact O-CG 3.11Å; L706-P805 HydrophobicContact CD2-CB 4.34Å; L794-P805 HydrophobicContact CB-CB 4.22Å; L794-P805 HydrophobicContact CD1-CB 3.88Å; L794-P805 HydrophobicContact CG-CB 4.46Å; L794-P805 PolarHBondContact N-O 3.05Å; L802-P805 HydrophobicContact CB-CG 4.19Å; L802-P805 HydrophobicContact CD1-CG 4.27Å
806A97.2Very high94.3Very high0 Ų027.2 Ų27.20%013%0.133CC..EExtended strand (participates in β ladder)trans-143.2160.8171.900000112.1G703 Q704 L706 I792 L804G703-A806 CarbonylContact C-O 3.51Å; G703-A806 WeakPolarHBondContact CA-O 3.44Å; Q704-A806 PolarHBondContact N-O 3.17Å; Q704-A806 PolarHBondContact O-N 2.86Å; L706-A806 WeakPolarHBondContact CD2-O 3.36Å; I792-A806 CarbonylContact O-C 3.58Å; I792-A806 VanDerWaalsContact O-CA 3.25Å; I792-A806 WeakPolarHBondContact O-CA 3.38Å; L804-A806 PolarHBondContact O-N 2.85Å
807L97.4Very high93.8Very high0 Ų030.3 Ų30.30%015%0.148CC..EExtended strand (participates in β ladder)trans-116.3150.3169.5-64.9176.1000110.2S702 L706 V715 W745 I765 V767 H791 I792 L794 V809S702-L807 WeakPolarHBondContact O-CA 3.43Å; L706-L807 HydrophobicContact CD2-CD2 4.34Å; V715-L807 HydrophobicContact CG1-CD1 3.85Å; V715-L807 HydrophobicContact CG2-CD1 4.25Å; V715-L807 HydrophobicContact CG2-CD2 3.92Å; W745-L807 HydrophobicContact CH2-CD2 4.13Å; W745-L807 HydrophobicContact CZ3-CD2 3.93Å; I765-L807 HydrophobicContact CG2-CD1 3.57Å; V767-L807 HydrophobicContact CG2-CD1 3.81Å; V767-L807 HydrophobicContact CG2-CD2 3.97Å; V767-L807 HydrophobicContact CG2-CG 4.1Å; H791-L807 CarbonylContact C-O 3.51Å; H791-L807 WeakPolarHBondContact CA-O 3.37Å; I792-L807 PolarHBondContact N-O 2.57Å; I792-L807 PolarHBondContact O-N 2.93Å; L794-L807 HydrophobicContact CD1-CG 4.42Å; L794-L807 HydrophobicContact CD2-CD1 4.11Å; L794-L807 HydrophobicContact CD2-CG 4.21Å; L807-V809 HydrophobicContact CB-CG1 4.29Å
808F97.6Very high93.3Very high0 Ų028 Ų280%014%0.14CC..EExtended strand (participates in β ladder)trans-113.7125.4168.2-179.2-114.8000109.5R218 E220 I221 I224 L293 Y701 S702 F789 H790 H791R218-F808 VanDerWaalsContact NH2-CB 3.29Å; E220-F808 HydrophobicContact CG-CD1 3.81Å; E220-F808 HydrophobicContact CG-CE1 4.02Å; I221-F808 HydrophobicContact CD1-CD1 4.38Å; I221-F808 HydrophobicContact CD1-CD2 4.46Å; I221-F808 HydrophobicContact CD1-CE1 4.08Å; I221-F808 HydrophobicContact CD1-CE2 4.17Å; I221-F808 HydrophobicContact CD1-CZ 3.97Å; I221-F808 HydrophobicContact CG1-CD1 4.22Å; I221-F808 HydrophobicContact CG1-CE1 3.62Å; I221-F808 HydrophobicContact CG1-CE2 4.45Å; I221-F808 HydrophobicContact CG1-CZ 3.75Å; I224-F808 HydrophobicContact CD1-CE1 3.66Å; I224-F808 HydrophobicContact CD1-CZ 3.87Å; L293-F808 HydrophobicContact CD1-CE2 4.15Å; L293-F808 HydrophobicContact CD1-CZ 4.03Å; Y701-F808 HydrophobicContact CG-CD1 4.42Å; Y701-F808 PolarHBondContact N-O 3.14Å; Y701-F808 VanDerWaalsContact N-O 3.14Å; S702-F808 PolarHBondContact N-O 2.82Å; S702-F808 PolarHBondContact O-N 3.31Å; F789-F808 HydrophobicContact CB-CE2 4.02Å; F789-F808 HydrophobicContact CB-CZ 3.99Å; F789-F808 HydrophobicContact CD1-CE1 4.22Å; F789-F808 HydrophobicContact CD1-CE2 4.44Å; F789-F808 AromaticContact CD1-CZ 3.72Å; F789-F808 HydrophobicContact CD1-CZ 3.72Å; F789-F808 HydrophobicContact CG-CZ 4.21Å; H790-F808 WeakPolarHBondContact O-CD2 3.36Å; H791-F808 AromaticContact CD2-CD2 3.83Å; H791-F808 AromaticContact CE1-CD2 3.49Å; H791-F808 VanDerWaalsContact CE1-CD2 3.49Å; H791-F808 WeakPolarHBondContact CE1-CD2 3.24Å; H791-F808 AromaticContact CE1-CE2 3.85Å; H791-F808 AromaticContact ND1-CD2 3.82Å; H791-F808 AromaticContact NE2-CD2 3.5Å; H791-F808 AromaticContact NE2-CG 3.95Å
809V97.1Very high92.8Very high0 Ų032.2 Ų32.20%018%0.175CC..EExtended strand (participates in β ladder)trans-139.6156-170.3-55.40000110.9I698 K699 I700 F789 H790 I792 L807 I811I698-V809 HydrophobicContact CD1-CB 4.42Å; I698-V809 HydrophobicContact CD1-CG1 4.46Å; I698-V809 HydrophobicContact CD1-CG2 4.49Å; I698-V809 HydrophobicContact CG1-CB 4.38Å; K699-V809 VanDerWaalsContact O-CA 3.29Å; K699-V809 WeakPolarHBondContact O-CA 3.27Å; K699-V809 WeakPolarHBondContact O-CB 3.2Å; I700-V809 HydrophobicContact CD1-CB 4.44Å; I700-V809 HydrophobicContact CD1-CG1 3.55Å; F789-V809 WeakPolarHBondContact CA-O 3.31Å; H790-V809 HydrophobicContact CB-CG2 4.41Å; H790-V809 PolarHBondContact N-O 3.41Å; H790-V809 PolarHBondContact O-N 3.31Å; H790-V809 VanDerWaalsContact O-N 3.09Å; I792-V809 HydrophobicContact CD1-CG1 4.49Å; I792-V809 HydrophobicContact CD1-CG2 3.69Å; I792-V809 HydrophobicContact CG1-CG2 4Å; L807-V809 HydrophobicContact CB-CG1 4.29Å; V809-I811 HydrophobicContact CG2-CD1 3.74Å; V809-I811 HydrophobicContact CG2-CG1 3.93Å
810Y96.4Very high92.2Very high27 Ų2736 Ų3611%0.10621%0.209CC..EExtended strand (participates in β ladder)trans-103.8130.3158.2178-102.2000108.4K246 I698 K699 G788 F789 E812K246-Y810 HydrophobicContact CB-CE2 4.32Å; K246-Y810 HydrophobicContact CD-CE2 3.84Å; I698-Y810 CarbonylContact C-O 3.45Å; I698-Y810 WeakPolarHBondContact CA-O 3.39Å; K699-Y810 PolarHBondContact N-O 3.02Å; K699-Y810 PolarHBondContact O-N 3Å; G788-Y810 WeakPolarHBondContact O-CA 3.25Å; F789-Y810 HydrophobicContact CD1-CD2 4.07Å; F789-Y810 HydrophobicContact CD1-CG 4.47Å; F789-Y810 AromaticContact CD2-CD2 3.8Å; F789-Y810 HydrophobicContact CD2-CD2 3.8Å; F789-Y810 HydrophobicContact CD2-CE2 4.33Å; F789-Y810 AromaticContact CE1-CD2 3.93Å; F789-Y810 HydrophobicContact CE1-CD2 3.93Å; F789-Y810 HydrophobicContact CE1-CG 4.2Å; F789-Y810 AromaticContact CE2-CD2 3.66Å; F789-Y810 HydrophobicContact CE2-CD2 3.66Å; F789-Y810 HydrophobicContact CE2-CE2 4.06Å; F789-Y810 HydrophobicContact CG-CD2 4.01Å; F789-Y810 AromaticContact CZ-CD2 3.73Å; F789-Y810 HydrophobicContact CZ-CD2 3.73Å; F789-Y810 HydrophobicContact CZ-CE2 4.41Å; F789-Y810 HydrophobicContact CZ-CG 4.29Å; Y810-E812 HydrophobicContact CE1-CB 3.75Å; Y810-E812 HydrophobicContact CE1-CG 4.49Å; Y810-E812 PolarHBondContact OH-OE1 3.11Å
811I96.3Very high91.7Very high0 Ų040.1 Ų40.10%023%0.226CC..EExtended strand (participates in β ladder)trans-117.9140.1174.6-69.4157.5000108.1V300 L696 T697 I698 I785 Q786 S787 G788 I792 V809 V813V300-I811 HydrophobicContact CG2-CD1 3.63Å; L696-I811 HydrophobicContact CD1-CG2 3.99Å; T697-I811 CarbonylContact O-C 3.46Å; T697-I811 WeakPolarHBondContact O-CA 3.45Å; I698-I811 HydrophobicContact CB-CG1 4.31Å; I698-I811 HydrophobicContact CD1-CD1 4.37Å; I698-I811 HydrophobicContact CD1-CG1 3.9Å; I698-I811 HydrophobicContact CG1-CG1 3.93Å; I785-I811 HydrophobicContact CD1-CD1 3.91Å; I785-I811 HydrophobicContact CD1-CG2 4.19Å; I785-I811 HydrophobicContact CG1-CD1 4.3Å; I785-I811 HydrophobicContact CG1-CG2 4.45Å; Q786-I811 WeakPolarHBondContact O-CG2 3.33Å; S787-I811 CarbonylContact C-O 3.48Å; S787-I811 WeakPolarHBondContact CA-O 3.06Å; G788-I811 PolarHBondContact N-O 2.68Å; G788-I811 PolarHBondContact O-N 2.9Å; I792-I811 HydrophobicContact CD1-CD1 4.2Å; V809-I811 HydrophobicContact CG2-CD1 3.74Å; V809-I811 HydrophobicContact CG2-CG1 3.93Å; I811-V813 HydrophobicContact CG2-CG2 4.12Å
812E94.1Very high91.1Very high40 Ų4041.3 Ų41.319%0.18724%0.237CC..EExtended strand (participates in β ladder)trans-138.5123.5173.5-174.6179-95.100108.8T697 Y810 K814T697-E812 PolarHBondContact N-O 3.13Å; T697-E812 PolarHBondContact O-N 2.83Å; Y810-E812 HydrophobicContact CE1-CB 3.75Å; Y810-E812 HydrophobicContact CE1-CG 4.49Å; Y810-E812 PolarHBondContact OH-OE1 3.11Å; E812-K814 HydrophobicContact CG-CD 4.18Å; E812-K814 HydrophobicContact CG-CG 4.31Å; E812-K814 IonicContact OE1-NZ 2.89Å; E812-K814 PolarHBondContact OE1-NZ 3.2Å; E812-K814 VanDerWaalsContact OE2-CE 3.25Å; E812-K814 WeakPolarHBondContact OE2-CE 3.4Å; E812-K814 IonicContact OE2-NZ 2.61Å; E812-K814 PolarHBondContact OE2-NZ 3.42Å
813V92.5Very high90.5Very high0 Ų045.3 Ų45.30%026%0.258CS..EExtended strand (participates in β ladder)trans-117.7119.6174.8-1630000109.3S250 T695 L696 I782 I785 S787 I811S250-V813 PolarHBondContact OG-O 3.25Å; T695-V813 WeakPolarHBondContact O-CA 3.45Å; L696-V813 HydrophobicContact CD1-CG2 3.87Å; I782-V813 HydrophobicContact CG2-CG1 4.09Å; I785-V813 HydrophobicContact CG2-CG2 3.72Å; S787-V813 PolarHBondContact OG-N 2.89Å; I811-V813 HydrophobicContact CG2-CG2 4.12Å
814K90.4Very high90.1Very high92 Ų9250.3 Ų50.340%0.428%0.278SS..EExtended strand (participates in β ladder)trans-122.8157.2179.8-76.5166.8174.3163.90109.5S250 S694 T695 E812S250-K814 WeakPolarHBondContact OG-CG 3.3Å; S694-K814 CarbonylContact C-O 3.32Å; S694-K814 VanDerWaalsContact CA-O 3.23Å; S694-K814 WeakPolarHBondContact CA-O 3.37Å; S694-K814 VanDerWaalsContact CB-O 3.32Å; S694-K814 WeakPolarHBondContact CB-O 3.32Å; T695-K814 PolarHBondContact N-O 2.86Å; T695-K814 PolarHBondContact O-N 3.46Å; E812-K814 HydrophobicContact CG-CD 4.18Å; E812-K814 HydrophobicContact CG-CG 4.31Å; E812-K814 IonicContact OE1-NZ 2.89Å; E812-K814 PolarHBondContact OE1-NZ 3.2Å; E812-K814 VanDerWaalsContact OE2-CE 3.25Å; E812-K814 WeakPolarHBondContact OE2-CE 3.4Å; E812-K814 IonicContact OE2-NZ 2.61Å; E812-K814 PolarHBondContact OE2-NZ 3.42Å
815D89.5Confident89.6Confident72 Ų7249.8 Ų49.839%0.38528%0.277SS..EExtended strand (participates in β ladder)trans-69141.8168.5-62.1-32.7000109.5V692 I817V692-D815 HydrophobicContact CG1-CB 3.69Å; D815-I817 PolarHBondContact O-N 3.03Å
816Y87.6Confident88.8Confident71 Ų7155.5 Ų55.528%0.27830%0.302SS..  trans-79.3106.5-175.5172.2-103000110.4A693 K754 P818A693-Y816 HydrophobicContact CB-CD1 4.28Å; A693-Y816 HydrophobicContact CB-CG 4.46Å; A693-Y816 WeakPolarHBondContact O-CB 3.31Å; A693-Y816 PolarHBondContact O-N 3.08Å; K754-Y816 HydrophobicContact CB-CD1 4.28Å; K754-Y816 HydrophobicContact CB-CD2 3.98Å; K754-Y816 HydrophobicContact CB-CE1 4.08Å; K754-Y816 HydrophobicContact CB-CE2 3.76Å; K754-Y816 HydrophobicContact CB-CG 4.23Å; K754-Y816 HydrophobicContact CG-CD1 4.02Å; K754-Y816 HydrophobicContact CG-CE1 3.74Å; K754-Y816 HydrophobicContact CG-CE2 4.36Å; K754-Y816 HydrophobicContact CG-CG 4.45Å; Y816-P818 HydrophobicContact CD1-CG 4.4Å; Y816-P818 HydrophobicContact CE1-CB 4.32Å; Y816-P818 HydrophobicContact CE1-CG 3.82Å
817I84.6Confident88.2Confident76 Ų7659.6 Ų59.639%0.3932%0.324SS..  trans-97.2116.8172.9-56.4165.6000107.7D815 T825D815-I817 PolarHBondContact O-N 3.03Å; I817-T825 HydrophobicContact CD1-CG2 3.6Å; I817-T825 HydrophobicContact CG1-CG2 4.02Å; I817-T825 HydrophobicContact CG2-CG2 4.35Å
818P84Confident87.6Confident27 Ų2765 Ų6518%0.17535%0.352CS..  trans-65137.9172.3-14.527.8000109.9Y816 A820 F821Y816-P818 HydrophobicContact CD1-CG 4.4Å; Y816-P818 HydrophobicContact CE1-CB 4.32Å; Y816-P818 HydrophobicContact CE1-CG 3.82Å; P818-A820 PolarHBondContact O-N 2.9Å; P818-F821 HydrophobicContact CB-CD2 4.06Å; P818-F821 HydrophobicContact CG-CD2 4.03Å; P818-F821 PolarHBondContact O-N 2.97Å
819A82.8Confident86.8Confident93 Ų9372.1 Ų72.177%0.76938%0.384SS*.G310 helixtrans-52.2-36.1-173.900000114.3F821 A822A819-F821 PolarHBondContact O-N 2.87Å; A819-F821 VanDerWaalsContact O-N 3.09Å; A819-A822 WeakPolarHBondContact O-CB 3.27Å; A819-A822 PolarHBondContact O-N 2.87Å
820A83.4Confident86.1Confident93 Ų9374.7 Ų74.777%0.76940%0.397SS*.G310 helixtrans-65.4-7.3176.700000115.2P818P818-A820 PolarHBondContact O-N 2.9Å
821F82.4Confident85.2Confident110 Ų11077.6 Ų77.648%0.48242%0.42SS..G310 helixtrans-124.112.9176.6-57.6-65.2000112.7P818 A819 T825P818-F821 HydrophobicContact CB-CD2 4.06Å; P818-F821 HydrophobicContact CG-CD2 4.03Å; P818-F821 PolarHBondContact O-N 2.97Å; A819-F821 PolarHBondContact O-N 2.87Å; A819-F821 VanDerWaalsContact O-N 3.09Å; F821-T825 WeakPolarHBondContact O-CB 3.37Å; F821-T825 PolarHBondContact O-N 3.18Å; F821-T825 PolarHBondContact O-OG1 3.27Å
822A82Confident84.3Confident39 Ų3982.7 Ų82.732%0.32245%0.451SS..Hα-helixtrans-58.7-57.1-178.700000111.6A819 F824 T825 E826A819-A822 WeakPolarHBondContact O-CB 3.27Å; A819-A822 PolarHBondContact O-N 2.87Å; A822-F824 PolarHBondContact O-N 3.25Å; A822-T825 WeakPolarHBondContact O-CA 3.49Å; A822-T825 WeakPolarHBondContact O-CB 3.44Å; A822-T825 PolarHBondContact O-N 2.82Å; A822-E826 PolarHBondContact O-N 2.89Å
823D82.5Confident82.9Confident131 Ų13187 Ų8770%0.70147%0.469SS*.Hα-helixtrans-57.3-48.7-178.5-50.6-25.1000111.9T825 E826 D827D823-T825 PolarHBondContact O-N 2.95Å; D823-E826 PolarHBondContact O-N 3.1Å; D823-E826 VanDerWaalsContact O-N 3.12Å; D823-D827 PolarHBondContact O-N 2.67Å
824F85.5Confident81Confident128 Ų12887.8 Ų87.856%0.56148%0.477SS*.Hα-helixtrans-57.4-35.5175.6178.4-101.8000112.4A822 L828A822-F824 PolarHBondContact O-N 3.25Å; F824-L828 HydrophobicContact CD1-CD1 4.1Å; F824-L828 HydrophobicContact CD2-CD1 4.18Å; F824-L828 HydrophobicContact CE1-CD1 3.71Å; F824-L828 HydrophobicContact CE1-CD2 4.25Å; F824-L828 HydrophobicContact CE2-CD1 3.8Å; F824-L828 HydrophobicContact CG-CD1 4.33Å; F824-L828 HydrophobicContact CZ-CD1 3.55Å; F824-L828 VanDerWaalsContact O-CD1 3.26Å; F824-L828 WeakPolarHBondContact O-CD1 3.43Å; F824-L828 PolarHBondContact O-N 3.48Å
825T81.4Confident79.2Confident29 Ų2986 Ų8618%0.17848%0.48CS..Hα-helixtrans-76.8-34.8178.4-52.50000111.8I817 F821 A822 D823 L828 F829I817-T825 HydrophobicContact CD1-CG2 3.6Å; I817-T825 HydrophobicContact CG1-CG2 4.02Å; I817-T825 HydrophobicContact CG2-CG2 4.35Å; F821-T825 WeakPolarHBondContact O-CB 3.37Å; F821-T825 PolarHBondContact O-N 3.18Å; F821-T825 PolarHBondContact O-OG1 3.27Å; A822-T825 WeakPolarHBondContact O-CA 3.49Å; A822-T825 WeakPolarHBondContact O-CB 3.44Å; A822-T825 PolarHBondContact O-N 2.82Å; D823-T825 PolarHBondContact O-N 2.95Å; T825-L828 PolarHBondContact O-N 3.13Å; T825-F829 HydrophobicContact CG2-CD2 3.79Å; T825-F829 HydrophobicContact CG2-CE2 3.58Å; T825-F829 WeakPolarHBondContact O-CD2 3.41Å; T825-F829 PolarHBondContact O-N 3.1Å
826E80.3Confident77.5Confident138 Ų13888.9 Ų88.965%0.64550%0.495SS*.Hα-helixtrans-64.1-40.7171.2-68.3-143.914600112.1A822 D823 F829 N830A822-E826 PolarHBondContact O-N 2.89Å; D823-E826 PolarHBondContact O-N 3.1Å; D823-E826 VanDerWaalsContact O-N 3.12Å; E826-F829 PolarHBondContact O-N 2.89Å; E826-N830 WeakPolarHBondContact O-CB 3.44Å; E826-N830 PolarHBondContact O-N 3.2Å; E826-N830 PolarHBondContact O-ND2 2.96Å; E826-N830 VanDerWaalsContact O-ND2 3.16Å
827D85.3Confident75.7Confident85 Ų8594.4 Ų94.446%0.45552%0.52SS..Hα-helixtrans-63.5-39.1173.3-80.9-27.9000111.7D823 N830 P831D823-D827 PolarHBondContact O-N 2.67Å; D827-N830 CarbonylContact O-C 3.35Å; D827-N830 PolarHBondContact O-N 3.16Å; D827-P831 WeakPolarHBondContact O-CA 3.42Å; D827-P831 WeakPolarHBondContact O-CD 3.18Å
828L85Confident74Confident113 Ų11395.4 Ų95.459%0.59253%0.53SS*.Hα-helixtrans-65.5-36.8172.9-102.274.1000112.9F824 T825F824-L828 HydrophobicContact CD1-CD1 4.1Å; F824-L828 HydrophobicContact CD2-CD1 4.18Å; F824-L828 HydrophobicContact CE1-CD1 3.71Å; F824-L828 HydrophobicContact CE1-CD2 4.25Å; F824-L828 HydrophobicContact CE2-CD1 3.8Å; F824-L828 HydrophobicContact CG-CD1 4.33Å; F824-L828 HydrophobicContact CZ-CD1 3.55Å; F824-L828 VanDerWaalsContact O-CD1 3.26Å; F824-L828 WeakPolarHBondContact O-CD1 3.43Å; F824-L828 PolarHBondContact O-N 3.48Å; T825-L828 PolarHBondContact O-N 3.13Å
829F80.4Confident72Confident151 Ų15198.9 Ų98.966%0.66256%0.555SS**Hα-helixtrans-77-24.6176-79.7-58.5000113.3T825 E826T825-F829 HydrophobicContact CG2-CD2 3.79Å; T825-F829 HydrophobicContact CG2-CE2 3.58Å; T825-F829 WeakPolarHBondContact O-CD2 3.41Å; T825-F829 PolarHBondContact O-N 3.1Å; E826-F829 PolarHBondContact O-N 2.89Å
830N81.8Confident70.2Confident53 Ų53103.6 Ų103.628%0.28356%0.558SS.*  trans-13855.9-174.9-55.5-105.3000112.6E826 D827 T832 K833E826-N830 WeakPolarHBondContact O-CB 3.44Å; E826-N830 PolarHBondContact O-N 3.2Å; E826-N830 PolarHBondContact O-ND2 2.96Å; E826-N830 VanDerWaalsContact O-ND2 3.16Å; D827-N830 CarbonylContact O-C 3.35Å; D827-N830 PolarHBondContact O-N 3.16Å; N830-T832 PolarHBondContact O-N 3.21Å; N830-K833 HydrophobicContact CB-CB 4.19Å; N830-K833 HydrophobicContact CB-CD 3.76Å; N830-K833 HydrophobicContact CB-CG 4.02Å; N830-K833 WeakPolarHBondContact O-CB 3.43Å; N830-K833 PolarHBondContact O-N 3.49Å; N830-K833 WeakPolarHBondContact OD1-CE 3.35Å; N830-K833 PolarHBondContact OD1-NZ 2.75Å
831P78.2Confident68Low89 Ų89104.7 Ų104.758%0.57856%0.555SS**Hα-helixtrans-60.7-24.6-169.722.8-34.5000113.9D827 A835D827-P831 WeakPolarHBondContact O-CA 3.42Å; D827-P831 WeakPolarHBondContact O-CD 3.18Å; P831-A835 PolarHBondContact O-N 2.91Å
832T76.9Confident65.9Low107 Ų107104.4 Ų104.466%0.65657%0.565SS**Hα-helixtrans-69.2-29.3173.748.50000113.8N830 A835N830-T832 PolarHBondContact O-N 3.21Å; T832-A835 WeakPolarHBondContact O-CB 3.5Å; T832-A835 PolarHBondContact O-N 3.48Å
833K64.7Low64.1Low131 Ų131112.2 Ų112.257%0.5759%0.591SS**Hα-helixtrans-74.2-28.2177.5-66.4-178.4-174.8157.50112.8N830N830-K833 HydrophobicContact CB-CB 4.19Å; N830-K833 HydrophobicContact CB-CD 3.76Å; N830-K833 HydrophobicContact CB-CG 4.02Å; N830-K833 WeakPolarHBondContact O-CB 3.43Å; N830-K833 PolarHBondContact O-N 3.49Å; N830-K833 WeakPolarHBondContact OD1-CE 3.35Å; N830-K833 PolarHBondContact OD1-NZ 2.75Å
834G52.6Low62Low16 Ų16112.2 Ų112.217%0.16560%0.596CS.*Hα-helixtrans-72.9-32.2171.500000112.7K837 T838G834-K837 PolarHBondContact O-N 3.06Å; G834-T838 PolarHBondContact O-N 3.43Å; G834-T838 PolarHBondContact O-OG1 3.22Å
835A52.7Low59.8Low55 Ų55111 Ų11146%0.45560%0.603SS.*Hα-helixtrans-61.9-43.2179.500000113P831 T832 K837 T838P831-A835 PolarHBondContact O-N 2.91Å; T832-A835 WeakPolarHBondContact O-CB 3.5Å; T832-A835 PolarHBondContact O-N 3.48Å; A835-K837 VanDerWaalsContact C-N 3.25Å; A835-K837 PolarHBondContact O-N 2.91Å; A835-T838 WeakPolarHBondContact CA-OG1 3.11Å; A835-T838 PolarHBondContact O-N 2.89Å; A835-T838 PolarHBondContact O-OG1 2.81Å; A835-T838 VanDerWaalsContact O-OG1 3.11Å
836D53.2Low58.2Low132 Ų132115.7 Ų115.771%0.70664%0.637SS**Hα-helixtrans-60.2-35.6179.2-69.1-32.7000112.4T838 S839D836-T838 VanDerWaalsContact C-N 3.34Å; D836-S839 PolarHBondContact O-OG 3.4Å; D836-S839 VanDerWaalsContact O-OG 3.08Å
837K50.6Low56.3Low186 Ų186113 Ų11381%0.80963%0.634SS**Hα-helixtrans-74.1-19.7176.3-67.4-179.5-178.91730113.9G834 A835G834-K837 PolarHBondContact O-N 3.06Å; A835-K837 VanDerWaalsContact C-N 3.25Å; A835-K837 PolarHBondContact O-N 2.91Å
838T48Very low54.1Low98 Ų98115.7 Ų115.760%0.60165%0.648SS**THydrogen-bonded Turntrans-102.712.2-174.341.50000114.1G834 A835 D836 K840G834-T838 PolarHBondContact O-N 3.43Å; G834-T838 PolarHBondContact O-OG1 3.22Å; A835-T838 WeakPolarHBondContact CA-OG1 3.11Å; A835-T838 PolarHBondContact O-N 2.89Å; A835-T838 PolarHBondContact O-OG1 2.81Å; A835-T838 VanDerWaalsContact O-OG1 3.11Å; D836-T838 VanDerWaalsContact C-N 3.34Å; T838-K840 CarbonylContact O-C 3.6Å; T838-K840 PolarHBondContact O-N 3.02Å
839S42.7Very low52.3Low100 Ų100119.8 Ų119.870%0.69966%0.657SS**  trans-59.5-11.117253.60000115.2D836D836-S839 PolarHBondContact O-OG 3.4Å; D836-S839 VanDerWaalsContact O-OG 3.08Å
840K43.8Very low50.3Low191 Ų191119.6 Ų119.683%0.8366%0.662SS**SBendtrans-9293.7164.1-75.5-172.9177.3179.30111.1T838 P842T838-K840 CarbonylContact O-C 3.6Å; T838-K840 PolarHBondContact O-N 3.02Å; K840-P842 WeakPolarHBondContact O-CD 2.97Å
841T38.2Very low48Very low116 Ų116119.8 Ų119.871%0.71267%0.667SS**  trans-59.1121-179.1-41.60000113.7
842P38.1Very low46.3Very low104 Ų104120.8 Ų120.868%0.67567%0.673SS**  trans-78.6123.1155.3-3.923.4000108.6K840 T844K840-P842 WeakPolarHBondContact O-CD 2.97Å; P842-T844 PolarHBondContact O-N 3.24Å; P842-T844 VanDerWaalsContact O-N 3.16Å
843K44.3Very low44.7Very low204 Ų204125.7 Ų125.789%0.88768%0.682SS**  trans-82.186.6175.4-77-174.2176.8179.80111.3
844T38.9Very low43.5Very low131 Ų131127.5 Ų127.580%0.80469%0.692SS**  trans-143.1140.5163270000110.1P842P842-T844 PolarHBondContact O-N 3.24Å; P842-T844 VanDerWaalsContact O-N 3.16Å
845S38.8Very low42.7Very low101 Ų101134.8 Ų134.871%0.70673%0.726SS**  trans-78.3131.6-176.744.30000111.8S847S845-S847 PolarHBondContact O-N 2.75Å
846S47Very low42.1Very low128 Ų128138.1 Ų138.190%0.89574%0.743SS**THydrogen-bonded Turntrans-82.240.7178.565.60000113.2
847S41.3Very low41.2Very low82 Ų82140.8 Ų140.857%0.57376%0.756SS**THydrogen-bonded Turntrans-86.9-21.3-175.543.90000114.1S845S845-S847 PolarHBondContact O-N 2.75Å
848D38.9Very low40.4Very low142 Ų142135.1 Ų135.176%0.75975%0.751SS**  trans-112.815.1-158-64.625.1000113.7I850D848-I850 PolarHBondContact O-N 3.44Å
849Y47.4Very low39.5Very low199 Ų199138.6 Ų138.678%0.7877%0.766SS**  trans-90.1103.5174.8-170.5-92.5000111.7
850I37.8Very low38.8Very low147 Ų147142.4 Ų142.475%0.75477%0.773SS**  trans-100.3130.6173.1-63.4174.5000109.4D848D848-I850 PolarHBondContact O-N 3.44Å
851S34.6Very low38.5Very low57 Ų57138.7 Ų138.740%0.39977%0.768SS.*  trans-72134.5178-179.40000111.5Y853S851-Y853 PolarHBondContact O-N 2.86Å
852P42Very low38.8Very low109 Ų109138.9 Ų138.971%0.70877%0.771SS**THydrogen-bonded Turntrans-75.123-177.432.5-37.2000114.8
853Y43.2Very low38.3Very low211 Ų211139.1 Ų139.183%0.82778%0.782SS**THydrogen-bonded Turntrans-132.97.1-174.4-91.4-75.2000115.8S851S851-Y853 PolarHBondContact O-N 2.86Å
854E39.5Very low37.6Very low168 Ų168133 Ų13379%0.78578%0.776SS**  trans-94.4107.2173.9-65.3-163.2148.800112.1
855L36.8Very low37.2Very low170 Ų170136.9 Ų136.989%0.8978%0.782SS**  trans-130.3109.1169.9-84.4175.3000110.8
856P38.9Very low36.8Very low124 Ų124136.4 Ų136.481%0.80578%0.784SS**  trans-82.9146.5157.1-10.629000111
857L34.8Very low36Very low188 Ų188138.2 Ų138.298%0.98478%0.776SS**  trans-85.3139.8174.9-70.7153.2000110.9
858G33.2Very low35.4Very low67 Ų67140.3 Ų140.369%0.69178%0.776SS**  trans169.6100.5169.900000115.9
859D29.7Very low35Very low171 Ų171139.3 Ų139.391%0.91477%0.771SS**  trans57.8141.8150.9-55.2-25.2000123.6
860Q28.3Very low34Very low181 Ų181137.5 Ų137.585%0.84677%0.77SS**  trans-97.3170.1163.4-79.5-167.92.500109.3
861P35.9Very low33.6Very low113 Ų113134.5 Ų134.573%0.73477%0.767SS**  cis-138.3-146.42536.2-9.7000113.6
862P45.8Very low34.1Very low120 Ų120137.4 Ų137.478%0.77979%0.785SS**  -132.3-177.8-88.543.2-27.2000116.5
863A27.1Very low33.5Very low108 Ų108136.5 Ų136.589%0.89379%0.786SS**  trans94.4139154.300000120.6
864G28.8Very low33Very low75 Ų75135 Ų13577%0.77379%0.787SS**  trans158.3152.5177.300000112.3
865K30.7Very low32.5Very low214 Ų214133.5 Ų133.593%0.9378%0.78SS**  trans-148.4165.7-178.2-80.3-172.3177.9179.70112.9
866A30.5Very low32.2Very low90 Ų90134 Ų13474%0.74478%0.775SS**  trans79.4135.6171.100000115.6
867K30.1Very low31.7Very low167 Ų167132.1 Ų132.173%0.72677%0.77SS**  cis73.7137.946.7-74-177.2144.1-120.60112.3
868E29.8Very low31.4Very low125 Ų125127.9 Ų127.958%0.58476%0.762SS**  cis-166.7155.82.8-124160.7166.900111
869N29.3Very low31.2Very low122 Ų122129.6 Ų129.665%0.65276%0.764SS**  trans56.2167.4144.4-7318.6000121.5
870E27.5Very low30.8Very low161 Ų161130.3 Ų130.375%0.75276%0.761SS**  cis-159.1149.9-4.9-124.7164.2125.100114
871A29.2Very low31.5Very low84 Ų84127.4 Ų127.469%0.69476%0.758SS**  trans63.1-176138.500000121.4
872P44.5Very low31.3Very low118 Ų118131.2 Ų131.277%0.76676%0.763SS**  -139.2172.3-85.744.2-27.5000118
873A30.1Very low31Very low90 Ų90131.4 Ų131.474%0.74477%0.765SS**  trans31.2154.213800000122.9
874E32.7Very low30.9Very low180 Ų180133 Ų13384%0.84176%0.758SS**  cis-167.5-173.23.4-133.7179.4173.500113.9
875E29.8Very low30.7Very low136 Ų136134.6 Ų134.664%0.63675%0.753SS**  trans84.2116.7156.8-62.9-141.4119.900125.3
876K29.4Very low30.5Very low179 Ų179131.1 Ų131.178%0.77875%0.745SS**  54.9155124.7-65.9176.9-173.2157.90123.1
877A28.8Very low30.4Very low86 Ų86135.4 Ų135.471%0.71175%0.749SS**  cis-173164.4-18.100000112.8
878A29.1Very low30.2Very low99 Ų99132.8 Ų132.882%0.81875%0.752SS**  trans62.6159.8155.200000120.6
879S28.2Very low30.1Very low103 Ų103133.2 Ų133.272%0.7276%0.764SS**  cis-174.4146.8-2453.30000112.9
880E22Very low30.1Very low185 Ų185131.9 Ų131.986%0.86476%0.764SS**  trans61.7173.8158.6-83.3-169.4-175.900120.6
881P42.7Very low30.2Very low120 Ų120132.7 Ų132.778%0.77977%0.767SS**  cis-131.4-164.7-16.226.3-1.5000115.5
882K31.7Very low30.2Very low193 Ų193133 Ų13384%0.83977%0.765SS**  trans-96.2161.7175.2-83.9-174.7172.5-176.90113.8
883P39.2Very low29.4Very low125 Ų125135.9 Ų135.981%0.81277%0.768SS**  -153.6-159.792.741.4-20000116.6
884N24.2Very low29.3Very low140 Ų140136.3 Ų136.375%0.74977%0.765SS**  trans-83.4-171.8-173.1-48.5-17.6000113.7
885T24.3Very low29.7Very low110 Ų110133.9 Ų133.968%0.67577%0.765SS**  cis-162.7170.117.1-15.40000113.4
886D27.4Very low29.6Very low141 Ų141132.4 Ų132.475%0.75477%0.77SS**  trans73.8125.9147.6-56.8-31.3000127.4
887E29.1Very low29.7Very low179 Ų179132.2 Ų132.284%0.83677%0.772SS**  trans26.7138.8143.5-58.2-156.6130.900126.2
888S25.5Very low29.6Very low113 Ų113134.6 Ų134.679%0.7978%0.777SS**  -173.3149.8101.935.90000116
889T28.1Very low29.5Very low134 Ų134133.3 Ų133.382%0.82277%0.774SS**  trans-20.8157.5167.845.90000120.1
890S29.4Very low29.6Very low94 Ų94133.1 Ų133.166%0.65778%0.779SS**  cis-167-165.9-10.258.20000107.3
891Q29.9Very low29.9Very low177 Ų177133.1 Ų133.183%0.82778%0.779SS**  cis-160.2176.19.3-134.9175.2103.400105.7
892S27.8Very low29.2Very low91 Ų91136.3 Ų136.364%0.63678%0.783SS**  cis-149.7-158.65.352.80000106.5
893Q27.6Very low29Very low179 Ų179133.5 Ų133.584%0.83678%0.783SS**  cis-149.2-126.48.9-156.7178.2-2.600110.7
894S28.7Very low28.4Very low99 Ų99137.1 Ų137.169%0.69279%0.785SS**  trans-166.1171.7-167.753.70000111.1
895P41.6Very low28.6Very low128 Ų128138 Ų13883%0.83179%0.785SS**  cis-128.3-175.611.242.7-25.9000116.6
896S26.6Very low28.6Very low105 Ų105140.2 Ų140.273%0.73479%0.788SS**  trans-134.5169.6-170550000111
897E31.7Very low29.5Very low175 Ų175138.2 Ų138.282%0.81878%0.782SS**  trans-164.1129.5135.1-114.9163.2-155.100114.7
898T27.5Very low29.5Very low136 Ų136137.2 Ų137.283%0.83478%0.778SS**  trans42.6146.7144.654.30000122.9
899G26.2Very low29.6Very low73 Ų73139.1 Ų139.175%0.75377%0.774SS**  cis173.9178.21.500000112.7
900A30.5Very low29.4Very low99 Ų99137.5 Ų137.582%0.81877%0.769SS**  trans-86.9-179.6168.900000110.3
901E29.3Very low29.3Very low185 Ų185141.9 Ų141.986%0.86478%0.779SS**  cis-163.3-159.222.5-154.8172.3-178.100110.9
902E27.7Very low29.3Very low187 Ų187140 Ų14087%0.87478%0.779SS**  trans94.4156.7161.2-59.7-147.3132.800121.4
903T26.5Very low30.2Very low134 Ų134140.5 Ų140.582%0.82278%0.781SS**  trans-150127.9-162.5-53.40000111.4
904K26.6Very low30.2Very low200 Ų200139.4 Ų139.487%0.8778%0.78SS**  trans178.4-174.4151.2-107.3164.8-175.1174.80115.6
905E28Very low30.2Very low158 Ų158139.4 Ų139.474%0.73879%0.786SS**  trans-124-177.2-157.5-46164.86300112.2
906Q24.4Very low29.7Very low157 Ų157137.7 Ų137.773%0.73478%0.783SS**  cis-146.9-69.58.3-157.1178.48500117.2
907P47.9Very low30.6Very low99 Ų99138 Ų13864%0.64378%0.783SS**  trans-125.2151.6-130.737.8-23.4000119.9
908E28.6Very low30.6Very low159 Ų159135.6 Ų135.674%0.74378%0.78SS**  trans63.1124.2141.5-67.6-147.9111.400125.7
909Q26Very low30.8Very low153 Ų153137.2 Ų137.272%0.71578%0.775SS**  trans66.8110132.4-64.3-162.24600123.9
910S25.2Very low31Very low100 Ų100138.9 Ų138.970%0.69977%0.767SS**  104.3153.112079.70000122.4
911Q26.6Very low30.9Very low186 Ų186142 Ų14287%0.86977%0.77SS**  trans89.9143.2164.9-53.1-167.919.800120.7
912T30.3Very low30.8Very low136 Ų136141.9 Ų141.983%0.83477%0.769SS**  trans-112.3-179.1-172.337.50000109.5
913P46.8Very low32.4Very low103 Ų103138.1 Ų138.167%0.66976%0.761SS**  cis-151-156.93045.7-21.9000118.1
914D26.7Very low32.4Very low156 Ų156139.6 Ų139.683%0.83476%0.764SS**  trans75.1139.9167.8-61.5-24.2000118.7
915A28.6Very low32.4Very low99 Ų99134.7 Ų134.782%0.81876%0.761SS**  cis-145.7165.114.400000114
916A32.6Very low32.4Very low92 Ų92130.6 Ų130.676%0.7676%0.761SS**  trans-157.6157.1172.400000113.6
917P45.4Very low32.5Very low112 Ų112132.4 Ų132.473%0.72777%0.766SS**  trans-119131.6147.511.89.4000110.8
918T31.3Very low31.6Very low123 Ų123134.1 Ų134.176%0.75577%0.769SS**  64.7134.86963.10000114.1
919K31.7Very low31.7Very low170 Ų170134.2 Ų134.274%0.73977%0.77SS**  cis-162.61609.8-126.6-173.9174.3-138.50116
920D30.7Very low31.7Very low108 Ų108131.6 Ų131.658%0.57877%0.769SS**  trans2.1143.4152.4-38.3-26.7000122.3
921D27.8Very low31.7Very low165 Ų165135.7 Ų135.788%0.88278%0.777SS**  172163.3107.9-93.8-34.2000115.9
922E28.3Very low31.7Very low182 Ų182131.7 Ų131.785%0.8577%0.769SS**  trans-116.5-172.2176-102.9-165.4150.600110.2
923P60.4Low33.1Very low108 Ų108130.7 Ų130.770%0.70177%0.765SS**  -133.2-165.9-52.740.8-23.4000113.5
924D27.3Very low33.5Very low166 Ų166130.6 Ų130.689%0.88877%0.765SS**  trans75.8172.3154.7-159.130000121.1
925A26.8Very low33.7Very low96 Ų96131.7 Ų131.779%0.79377%0.765SS**  trans92.8152.617700000118.2
926G26.3Very low34.1Very low73 Ų73130.8 Ų130.875%0.75376%0.757SS**  trans176.5-164176.900000116.5
927K27.7Very low35Very low194 Ų194132.7 Ų132.784%0.84376%0.762SS**  trans81.5147.4174.5-133.5-176.2-173.2-178.70117.6
928L28.6Very low34.5Very low135 Ų135132 Ų13271%0.70777%0.765SS**  trans71.1145.4165.8-59.2165.9000117.2
929E29.8Very low34.7Very low161 Ų161130 Ų13075%0.75276%0.761SS**  cis-169.3160.4-23-159.4164-120.900110.6
930S26.4Very low34.9Very low99 Ų99128.5 Ų128.569%0.69276%0.761SS**  trans72.3160.916484.10000118
931Q25.6Very low35.1Very low186 Ų186130.5 Ų130.587%0.86977%0.765SS**  cis-150.9169.34.4-145.6158.561.600111.8
932S27.6Very low35.3Very low101 Ų101129.4 Ų129.471%0.70675%0.754SS**  trans-121.4-164.2175.567.60000109.2
933P59.3Low35.5Very low116 Ų116126.5 Ų126.575%0.75375%0.749SS**  cis-110.7-143.4-8.943.2-26.5000109
934P54.3Low33.9Very low101 Ų101130.4 Ų130.466%0.65676%0.758SS**  cis-121.1-155.7-14.738.8-17.1000111.2
935E31.8Very low34Very low179 Ų179126.3 Ų126.384%0.83675%0.747SS**  cis-152-166.65-154.9138.5-84.500111.4
936A36.5Very low34.2Very low79 Ų79129 Ų12965%0.65374%0.743SS**  trans-147.4-172.5-179.800000112.2
937P50.8Low34.1Very low133 Ų133134 Ų13486%0.86474%0.744SS**  -135-145.1103.739.3-28000113.8
938A35.9Very low34.1Very low97 Ų97133.4 Ų133.480%0.80275%0.745SS**  trans-144.3-177-153.600000110.8
939A36.3Very low34.1Very low80 Ų80133.4 Ų133.466%0.66175%0.75SS**  cis-149.3-145.412.600000109.4
940N34.7Very low34.1Very low140 Ų140132.7 Ų132.775%0.74975%0.751SS**  cis-170.4163.71.5-119.4-13.9000104.5
941K35.1Very low35.3Very low149 Ų149133 Ų13365%0.64875%0.751SS**  cis-163.8176.2-15.3-127.8172.1-179.6-75.60104.6
942E31.2Very low35.3Very low142 Ų142134 Ų13466%0.66475%0.752SS**  cis-144.7-176.412.4-16959.4-71.300108.6
943V33Very low35.2Very low122 Ų122134.9 Ų134.974%0.73976%0.758SS**  trans-136.1129.3-166.7-177.50000115.3
944E26Very low33.7Very low189 Ų189134.3 Ų134.388%0.88376%0.763SS**  trans-138.3145150.4-72-172.3107.700108
945A30.3Very low32.4Very low80 Ų80134.4 Ų134.466%0.66177%0.772SS**  cis91.4140.51600000114.6
946E31.4Very low32.3Very low154 Ų154130.3 Ų130.372%0.7277%0.769SS**  cis-166171.5-6.5-132.8-175.8-16400115.4
947K23.8Very low32.7Very low177 Ų177131.7 Ų131.777%0.7777%0.772SS**  trans89.9146.3148.3-80.9-178.1176.579.20124
948E27.1Very low31.7Very low182 Ų182134 Ų13485%0.8577%0.771SS**  trans-130.3177.4169.7-77.5-169.3131.200110.4
949V29.7Very low31.3Very low134 Ų134133.4 Ų133.481%0.81277%0.766SS**  trans130.6133.7142.5177.30000116.6
950D30.2Very low30.8Very low147 Ų147137.5 Ų137.579%0.78677%0.769SS**  trans-56.6-166.8172.2-74.1-80.9000116.9
951P50.4Low30.5Very low106 Ų106137.3 Ų137.369%0.68876%0.764SS**  cis-141.5174.32.237-15.9000118.6
952K26Very low30.1Very low207 Ų207138.4 Ų138.490%0.977%0.771SS**  174.6173.1118.4-98.9-179.8178.1179.90116.9
953S26Very low30Very low119 Ų119140.8 Ų140.883%0.83278%0.782SS**  trans-143.4157.6-158.454.20000115.8
954A27.5Very low29.6Very low103 Ų103138 Ų13885%0.85178%0.778SS**  trans176.3156.3157.800000109
955A26.9Very low29.6Very low103 Ų103136.2 Ų136.285%0.85178%0.78SS**  cis-162173.9-24.500000108.5
956A29.8Very low29.6Very low93 Ų93139.5 Ų139.577%0.76979%0.787SS**  trans-109.7-173.6178.600000111
957P45Very low30.3Very low109 Ų109137.2 Ų137.271%0.70879%0.785SS**  cis-145.8-163.96.843.7-21.2000117.3
958E28.6Very low30.4Very low180 Ų180136.2 Ų136.284%0.84179%0.788SS**  trans72.7121.1144.7-82.2169.917600126.6
959A28Very low30.3Very low85 Ų85131.3 Ų131.370%0.70278%0.779SS**  74.2124.111900000126.4
960K26.6Very low30.5Very low166 Ų166131.8 Ų131.872%0.72278%0.777SS**  70.8143.5128.9-84.4-179.7150-134.60124.9
961E27.9Very low30.8Very low137 Ų137130.1 Ų130.164%0.6477%0.774SS**  trans64.2150.7141.3-76.5154.9-169.200120.3
962E27.4Very low29.7Very low171 Ų171133 Ų13380%0.79978%0.776SS**  cis-159.9-161.3-26.2-146.8176.8-138.900109.4
963E27.8Very low29.8Very low193 Ų193128 Ų12890%0.90276%0.758SS**  trans67.6142.1176-55.3-169.2147.900118.2
964G25.4Very low30Very low64 Ų64129.8 Ų129.866%0.6675%0.754SS**  cis177.5169.3-7.200000115.1
965T25.6Very low30.2Very low150 Ų150131 Ų13192%0.9275%0.746SS**  trans64.4113.8162.447.40000122.3
966D30.9Very low30.4Very low150 Ų150132.4 Ų132.480%0.80273%0.733SS**  trans-55.4179.2143.6-125.7-9.5000112
967P45.1Very low30.5Very low105 Ų105134.9 Ų134.968%0.68273%0.729SS**  cis-146-173.17.836.5-11.9000118.3
968D26.1Very low29.7Very low157 Ų157136.9 Ų136.984%0.8473%0.734SS**  trans93.7160.9132.3-137-3.4000123.7
969A25Very low29.7Very low78 Ų78132.1 Ų132.165%0.64572%0.72SS**  trans77.69015100000120.8
970N33.6Very low29.6Very low145 Ų145136.6 Ų136.678%0.77573%0.727SS**  trans-84.5134.4148.5175.625.7000109.8K972N970-K972 PolarHBondContact OD1-N 2.99Å
971P37.9Very low29.9Very low111 Ų111132.8 Ų132.872%0.72173%0.726SS**  -136.7138.8122.935.6-24.1000113.2
972K27Very low30.6Very low167 Ų167132.5 Ų132.573%0.72674%0.736SS**  87138.954.6-127.9-162.5172.4-157.30114.1N970N970-K972 PolarHBondContact OD1-N 2.99Å
973N27.2Very low30.8Very low101 Ų101128.5 Ų128.554%0.5473%0.732SS.*  trans70.4149.5165.8-64.729.4000115.8
974E30.5Very low31.5Very low158 Ų158125.4 Ų125.474%0.73873%0.729SS**  cis-167162.3-13.2-112.9147.8-163.800105.9
975D31.8Very low31.7Very low129 Ų129126.9 Ų126.969%0.6974%0.735SS**  cis-147.1-147.57.7-155.3-3.1000106.7
976K31.1Very low31.8Very low131 Ų131125.6 Ų125.657%0.5773%0.732SS**  cis-164.7176.90-144.2152.4-163.9-62.70111.9
977E31.3Very low31.5Very low145 Ų145121.8 Ų121.868%0.67873%0.728SS**  trans5.8147.2149-76153.5-175.400120.9
978D29.5Very low30.7Very low152 Ų152125.8 Ų125.881%0.81374%0.738SS**  cis-172.2-179.2-19.9-132.962.7000106.6
979S28.3Very low30.6Very low80 Ų80126 Ų12656%0.55974%0.739SS**  cis-139.1-157.91.954.10000108.2
980E26.1Very low30.6Very low179 Ų179126.4 Ų126.484%0.83674%0.742SS**  cis-162.6175.86.1-145.2155.2-73.700110.4
981A32.3Very low30.9Very low86 Ų86125.2 Ų125.271%0.71174%0.742SS**  trans-156.2168.7167.900000111.4
982P43.4Very low30.4Very low130 Ų130124.2 Ų124.284%0.84474%0.744SS**  -150.5172.595.138.8-21.2000116.8
983A30Very low30.4Very low88 Ų88125.1 Ų125.173%0.72775%0.751SS**  trans-98.6-164.9169.900000111.8
984P43.8Very low30.3Very low128 Ų128127.6 Ų127.683%0.83176%0.764SS**  -152.5-167.286.342.8-24.1000115.8
985A29.1Very low30.1Very low95 Ų95123.7 Ų123.779%0.78576%0.759SS**  trans-136.3-165.1166.800000108.2
986S27.9Very low29.8Very low122 Ų122122.2 Ų122.285%0.85376%0.759SS**  cis-165.5164.61046.40000110.4
987G24.8Very low29.6Very low71 Ų71122.3 Ų122.373%0.73277%0.77SS**  trans113.3164.2173.200000113.7
988E27.1Very low29.2Very low188 Ų188119.7 Ų119.788%0.87977%0.767SS**  cis-162.9179.4-8.1-135.3161.6-16600110.6
989D25.5Very low28.9Very low161 Ų161120 Ų12086%0.86177%0.769SS**  trans73.4152166.5-75-30.8000124.2
990A25.1Very low28.7Very low87 Ų87121.4 Ų121.472%0.71978%0.778SS**  trans-134176.317000000108.5
991P38.6Very low28.5Very low120 Ų120118.2 Ų118.278%0.77978%0.775SS**  -124.2166.359.1422.5000113.4
992A27.9Very low28.3Very low91 Ų91121.7 Ų121.775%0.75278%0.781SS**  61.8138.571.600000114.1
993E27.7Very low27.7Very low185 Ų185121.6 Ų121.686%0.86478%0.781SS**  cis-127.7-177.18.9-66178134.900109.7
994D25.4Very low27.4Very low153 Ų153122.3 Ų122.382%0.81878%0.781SS**  cis-158.4178.325.3-161.35.6000113.6
995A26.3Very low26.5Very low77 Ų77125.4 Ų125.464%0.63678%0.784SS**  trans-65.2174-17700000117
996S25.6Very low26.3Very low98 Ų98125.6 Ų125.669%0.68578%0.779SS**  cis-177.5160.1-26.564.20000110.3
997V25.1Very low26Very low133 Ų133125 Ų12581%0.80678%0.782SS**  trans55.8150140.6167.60000120.4
998S23.3Very low25.9Very low89 Ų89125.2 Ų125.262%0.62278%0.784SS**  cis-173.7154.4-32.7-810000109.3
999L23.8Very low25.7Very low160 Ų160121.6 Ų121.684%0.83878%0.78SS**  trans63.8150.2147.7-82161.1000122.8
1000S23.1Very low25.6Very low109 Ų109118.6 Ų118.676%0.76277%0.771SS**  trans66.3151.2157.729.90000119
1001S23.4Very low25.5Very low111 Ų111121.8 Ų121.878%0.77678%0.776SS**  cis-160.6169.9-11.947.40000111.5
1002L27Very low24.9Very low159 Ų159120.2 Ų120.283%0.83277%0.768SS**  trans-58.9158.5162.1-70.6159.7000111.1
1003P31.1Very low24.8Very low129 Ų129120.7 Ų120.784%0.83877%0.766SS**  -135.8173.389.839.2-28000115.1
1004S24.9Very low24.6Very low103 Ų103121 Ų12172%0.7277%0.767SS**  trans-113.1150.6176.654.20000111.2
1005E24Very low24.9Very low193 Ų193119 Ų11990%0.90277%0.766SS**  trans-173.8176.1153.6-111.6170.2-148.500111.3
1006S23.9Very low25Very low98 Ų98121.5 Ų121.569%0.68578%0.775SS**  -158.7159.5-79.270.60000111.3
1007A23.1Very low25Very low110 Ų110122.5 Ų122.591%0.90978%0.782SS**  trans57.6166.7177.900000115.3
1008G22.1Very low25.1Very low76 Ų76121.9 Ų121.978%0.78478%0.784SS**  cis-176.5155.5-900000104.9
1009S23.4Very low25.6Very low112 Ų112123 Ų12378%0.78379%0.792SS**  cis-174.6-167.735.4-179.40000107.3
1010S23.2Very low25.8Very low98 Ų98124.6 Ų124.669%0.68580%0.795SS**  trans-6.1145.1150.654.10000118.4
1011D23.1Very low26.1Very low154 Ų154128.3 Ų128.382%0.82480%0.8SS**  cis-154.6-159.844.7-159.9-0.3000114.4
1012S24.6Very low26.7Very low87 Ų87128.8 Ų128.861%0.60880%0.8SS**  trans-96.3162-152.451.80000116.6
1013S26.4Very low26.9Very low100 Ų100127.1 Ų127.170%0.69980%0.801SS**  trans7.4128.2156.7580000120.1
1014Q24.5Very low27.2Very low191 Ų191127.2 Ų127.289%0.89380%0.799SS**  -164.3158106.6-106171.924.800112.5
1015S30.3Very low28.1Very low113 Ų113126.7 Ų126.779%0.7979%0.791SS**  trans-101.4138.8173.455.50000111.3
1016P29.1Very low29.7Very low128 Ų128121 Ų12183%0.83177%0.77SS**  trans-111.9143.7152.735-27.2000111.6
1017S25.9Very low31.2Very low120 Ų120121.7 Ų121.784%0.83977%0.77SS**  trans-112.3128.1172.456.60000110.4
1018S26.4Very low32.8Very low120 Ų120123.6 Ų123.684%0.83976%0.76SS**  trans-156.7148161.651.80000111.7
1019S33.4Very low34.4Very low113 Ų113125.4 Ų125.479%0.7975%0.748SS**  trans-83.5148.3177.749.90000112.8
1020E29.2Very low35.5Very low193 Ų193124.8 Ų124.890%0.90274%0.736SS**  trans-127.3147.7159.6-67.7-166.9149.300110.5
1021E29.6Very low37.1Very low186 Ų186123.3 Ų123.387%0.86972%0.722SS**PPolyproline II helixtrans-90.9153.2-174.1-66.4-170.9131.500113.1C1023E1021-C1023 PolarHBondContact O-N 3.28Å
1022P34.8Very low38.8Very low121 Ų121121.9 Ų121.979%0.78671%0.711SS**PPolyproline II helixtrans-71.7118.9177.928.9-34.4000112.4
1023C32.5Very low40.5Very low125 Ų125122.9 Ų122.985%0.84571%0.705SS**PPolyproline II helixtrans-60.1138.8176.7-169.90000112.6E1021E1021-C1023 PolarHBondContact O-N 3.28Å
1024T37.6Very low42.4Very low130 Ų130124.8 Ų124.880%0.79870%0.701SS**PPolyproline II helixtrans-92.8139-175.844.40000113.4
1025V43.8Very low44.4Very low92 Ų92119.3 Ų119.356%0.55868%0.678SS**PPolyproline II helixtrans-77.9135.9-176.8176.90000111.3Q1029 L1030V1025-Q1029 HydrophobicContact CG1-CB 3.92Å; V1025-L1030 HydrophobicContact CG1-CG 4.15Å
1026T57.1Low46.2Very low74 Ų74117.6 Ų117.645%0.45466%0.655SS.*PPolyproline II helixtrans-70.8149.5-177.867.90000113.1E1028 Q1029 L1030T1026-E1028 PolarHBondContact O-N 2.95Å; T1026-E1028 VanDerWaalsContact O-N 3.15Å; T1026-Q1029 PolarHBondContact O-N 3.38Å; T1026-Q1029 VanDerWaalsContact O-N 3.15Å; T1026-L1030 PolarHBondContact O-N 3.38Å; T1026-L1030 VanDerWaalsContact O-N 3.13Å
1027V55.1Low47.8Very low113 Ų113115.1 Ų115.169%0.68563%0.634SS**Hα-helixtrans-59-29.5-177.9-179.80000112.4T1031V1027-T1031 WeakPolarHBondContact O-CB 3.49Å; V1027-T1031 PolarHBondContact O-N 2.86Å; V1027-T1031 PolarHBondContact O-OG1 3.07Å
1028E56.4Low50.2Low149 Ų149115.1 Ų115.170%0.69662%0.619SS**Hα-helixtrans-71-44.2178.2-61.5-179.6150.200111.9T1026 L1030 T1031 Q1032T1026-E1028 PolarHBondContact O-N 2.95Å; T1026-E1028 VanDerWaalsContact O-N 3.15Å; E1028-L1030 PolarHBondContact O-N 3.38Å; E1028-T1031 WeakPolarHBondContact O-CB 3.4Å; E1028-T1031 PolarHBondContact O-N 3.4Å; E1028-T1031 VanDerWaalsContact O-N 3.12Å; E1028-Q1032 WeakPolarHBondContact O-CG 3.16Å; E1028-Q1032 PolarHBondContact O-N 2.59Å
1029Q54.9Low52.4Low115 Ų115111.1 Ų111.154%0.53759%0.589SS.*Hα-helixtrans-63.1-41.8174.3-69.6-178.70.300111.2V1025 T1026 T1031 Q1032 H1033V1025-Q1029 HydrophobicContact CG1-CB 3.92Å; T1026-Q1029 PolarHBondContact O-N 3.38Å; T1026-Q1029 VanDerWaalsContact O-N 3.15Å; Q1029-T1031 VanDerWaalsContact C-N 3.29Å; Q1029-T1031 PolarHBondContact O-N 3.43Å; Q1029-Q1032 PolarHBondContact O-N 3.06Å; Q1029-H1033 WeakPolarHBondContact O-CB 3.5Å; Q1029-H1033 PolarHBondContact O-N 2.97Å
1030L48Very low54.2Low99 Ų99108.3 Ų108.352%0.51857%0.565SS.*Hα-helixtrans-59.7-38.6171.8-82.6161.6000112.3V1025 T1026 E1028 K1034V1025-L1030 HydrophobicContact CG1-CG 4.15Å; T1026-L1030 PolarHBondContact O-N 3.38Å; T1026-L1030 VanDerWaalsContact O-N 3.13Å; E1028-L1030 PolarHBondContact O-N 3.38Å; L1030-K1034 WeakPolarHBondContact O-CB 3.27Å; L1030-K1034 PolarHBondContact O-N 3.29Å
1031T55.4Low56.4Low66 Ų66106.2 Ų106.241%0.40555%0.553SS.*Hα-helixtrans-71.2-40.9178.5-61.90000112V1027 E1028 Q1029 K1034 N1035V1027-T1031 WeakPolarHBondContact O-CB 3.49Å; V1027-T1031 PolarHBondContact O-N 2.86Å; V1027-T1031 PolarHBondContact O-OG1 3.07Å; E1028-T1031 WeakPolarHBondContact O-CB 3.4Å; E1028-T1031 PolarHBondContact O-N 3.4Å; E1028-T1031 VanDerWaalsContact O-N 3.12Å; Q1029-T1031 VanDerWaalsContact C-N 3.29Å; Q1029-T1031 PolarHBondContact O-N 3.43Å; T1031-K1034 PolarHBondContact O-N 3.14Å; T1031-N1035 PolarHBondContact O-N 2.83Å; T1031-N1035 PolarHBondContact O-ND2 3.02Å
1032Q58.8Low58.9Low125 Ų125104.9 Ų104.958%0.58454%0.54SS*.Hα-helixtrans-62.4-47.7172.8-70.6177.66.600111.2E1028 Q1029 K1034 N1035 Y1036E1028-Q1032 WeakPolarHBondContact O-CG 3.16Å; E1028-Q1032 PolarHBondContact O-N 2.59Å; Q1029-Q1032 PolarHBondContact O-N 3.06Å; Q1032-K1034 PolarHBondContact O-N 3.14Å; Q1032-N1035 PolarHBondContact O-N 2.91Å; Q1032-N1035 VanDerWaalsContact O-N 3.1Å; Q1032-Y1036 PolarHBondContact O-N 3.45Å
1033H62.2Low60.9Low107 Ų107100.1 Ų100.150%0.49551%0.507SS..Hα-helixtrans-61.3-42.8176.6-172.376.1000112.3Q1029 N1035 Y1036 L1037Q1029-H1033 WeakPolarHBondContact O-CB 3.5Å; Q1029-H1033 PolarHBondContact O-N 2.97Å; H1033-N1035 VanDerWaalsContact C-N 3.25Å; H1033-N1035 PolarHBondContact O-N 3.22Å; H1033-Y1036 PolarHBondContact O-N 2.65Å; H1033-L1037 WeakPolarHBondContact O-CG 3.42Å; H1033-L1037 PolarHBondContact O-N 2.86Å
1034K66.1Low63Low141 Ų14198.6 Ų98.661%0.61349%0.488SS*.Hα-helixtrans-61-32.2174.3-173.1173.8-175.11750112.6L1030 T1031 Q1032 K1038L1030-K1034 WeakPolarHBondContact O-CB 3.27Å; L1030-K1034 PolarHBondContact O-N 3.29Å; T1031-K1034 PolarHBondContact O-N 3.14Å; Q1032-K1034 PolarHBondContact O-N 3.14Å; K1034-K1038 WeakPolarHBondContact O-CG 3.32Å; K1034-K1038 PolarHBondContact O-N 2.82Å
1035N66.6Low65.2Low75 Ų7598.7 Ų98.740%0.40148%0.477SS..Hα-helixtrans-79.4-37.7175.1-72.2-25000112.5T1031 Q1032 H1033 L1037 K1038 V1039T1031-N1035 PolarHBondContact O-N 2.83Å; T1031-N1035 PolarHBondContact O-ND2 3.02Å; Q1032-N1035 PolarHBondContact O-N 2.91Å; Q1032-N1035 VanDerWaalsContact O-N 3.1Å; H1033-N1035 VanDerWaalsContact C-N 3.25Å; H1033-N1035 PolarHBondContact O-N 3.22Å; N1035-L1037 PolarHBondContact O-N 3.12Å; N1035-K1038 WeakPolarHBondContact O-CB 3.45Å; N1035-K1038 PolarHBondContact O-N 3.23Å; N1035-K1038 VanDerWaalsContact O-N 3.17Å; N1035-K1038 PolarHBondContact OD1-NZ 2.83Å; N1035-V1039 PolarHBondContact O-N 3.33Å; N1035-V1039 VanDerWaalsContact O-N 3.16Å
1036Y66.4Low67Low78 Ų7898.3 Ų98.331%0.30647%0.469SS..Hα-helixtrans-57.9-46170.9178.4-105.1000111.8Q1032 H1033 K1038 V1039 I1040Q1032-Y1036 PolarHBondContact O-N 3.45Å; H1033-Y1036 PolarHBondContact O-N 2.65Å; Y1036-K1038 VanDerWaalsContact C-N 3.3Å; Y1036-K1038 PolarHBondContact O-N 3.4Å; Y1036-V1039 WeakPolarHBondContact O-CB 3.43Å; Y1036-V1039 PolarHBondContact O-N 2.78Å; Y1036-I1040 HydrophobicContact CD1-CD1 3.98Å; Y1036-I1040 HydrophobicContact CE1-CD1 3.44Å; Y1036-I1040 VanDerWaalsContact CE1-CD1 3.44Å; Y1036-I1040 HydrophobicContact CE1-CG1 4.44Å; Y1036-I1040 PolarHBondContact O-N 3.19Å
1037L64.2Low67.9Low75 Ų7598.1 Ų98.139%0.39346%0.464SS..Hα-helixtrans-62.9-30.2175.4-70.3176.8000113.7H1033 N1035 K1041H1033-L1037 WeakPolarHBondContact O-CG 3.42Å; H1033-L1037 PolarHBondContact O-N 2.86Å; N1035-L1037 PolarHBondContact O-N 3.12Å; L1037-K1041 WeakPolarHBondContact O-CG 3.38Å; L1037-K1041 PolarHBondContact O-N 3.02Å; L1037-K1041 VanDerWaalsContact O-N 3.13Å
1038K74.8Confident69.1Low120 Ų12098.5 Ų98.552%0.52246%0.456SS..Hα-helixtrans-67.5-39171.3-70.4169.3-169.1166.30111.6K1034 N1035 Y1036 R1042K1034-K1038 WeakPolarHBondContact O-CG 3.32Å; K1034-K1038 PolarHBondContact O-N 2.82Å; N1035-K1038 WeakPolarHBondContact O-CB 3.45Å; N1035-K1038 PolarHBondContact O-N 3.23Å; N1035-K1038 VanDerWaalsContact O-N 3.17Å; N1035-K1038 PolarHBondContact OD1-NZ 2.83Å; Y1036-K1038 VanDerWaalsContact C-N 3.3Å; Y1036-K1038 PolarHBondContact O-N 3.4Å; K1038-R1042 WeakPolarHBondContact O-CB 3.24Å; K1038-R1042 PolarHBondContact O-N 2.62Å
1039V73.2Confident70.3Confident36 Ų3694.9 Ų94.922%0.21844%0.442CS..Hα-helixtrans-65.5-46.1178.4175.60000110.4N1035 Y1036 K1041 R1042 Q1043N1035-V1039 PolarHBondContact O-N 3.33Å; N1035-V1039 VanDerWaalsContact O-N 3.16Å; Y1036-V1039 WeakPolarHBondContact O-CB 3.43Å; Y1036-V1039 PolarHBondContact O-N 2.78Å; V1039-K1041 PolarHBondContact O-N 3.3Å; V1039-R1042 WeakPolarHBondContact O-CB 3.24Å; V1039-R1042 PolarHBondContact O-N 3.26Å; V1039-R1042 VanDerWaalsContact O-N 3.16Å; V1039-Q1043 HydrophobicContact CG1-CG 4.41Å; V1039-Q1043 WeakPolarHBondContact O-CG 3.46Å; V1039-Q1043 PolarHBondContact O-N 3.34Å
1040I72.6Confident71.4Confident54 Ų5490.4 Ų90.428%0.27743%0.425SS..Hα-helixtrans-57.6-52174.8-67.9175.1000110.8Y1036 R1042 Q1043 E1044Y1036-I1040 HydrophobicContact CD1-CD1 3.98Å; Y1036-I1040 HydrophobicContact CE1-CD1 3.44Å; Y1036-I1040 VanDerWaalsContact CE1-CD1 3.44Å; Y1036-I1040 HydrophobicContact CE1-CG1 4.44Å; Y1036-I1040 PolarHBondContact O-N 3.19Å; I1040-R1042 PolarHBondContact O-N 3.36Å; I1040-Q1043 PolarHBondContact O-N 2.76Å; I1040-Q1043 VanDerWaalsContact O-N 3.1Å; I1040-E1044 HydrophobicContact CG2-CG 4.3Å; I1040-E1044 WeakPolarHBondContact O-CG 3.24Å; I1040-E1044 PolarHBondContact O-N 3.02Å
1041K74.6Confident73Confident150 Ų15091 Ų9165%0.65243%0.425SS*.Hα-helixtrans-61.8-27.6179.1-73.6-177176-174.20113.4L1037 V1039 K1045L1037-K1041 WeakPolarHBondContact O-CG 3.38Å; L1037-K1041 PolarHBondContact O-N 3.02Å; L1037-K1041 VanDerWaalsContact O-N 3.13Å; V1039-K1041 PolarHBondContact O-N 3.3Å; K1041-K1045 PolarHBondContact O-N 3.45Å
1042R81.9Confident74.4Confident157 Ų15794 Ų9459%0.59243%0.432SS*.Hα-helixtrans-71.5-49.1171.6-179.2179.1171.7-153.9-19.7111.3K1038 V1039 I1040 E1044 K1045 E1046K1038-R1042 WeakPolarHBondContact O-CB 3.24Å; K1038-R1042 PolarHBondContact O-N 2.62Å; V1039-R1042 WeakPolarHBondContact O-CB 3.24Å; V1039-R1042 PolarHBondContact O-N 3.26Å; V1039-R1042 VanDerWaalsContact O-N 3.16Å; I1040-R1042 PolarHBondContact O-N 3.36Å; R1042-E1044 PolarHBondContact O-N 3.45Å; R1042-K1045 WeakPolarHBondContact O-CB 3.48Å; R1042-K1045 PolarHBondContact O-N 2.68Å; R1042-K1045 VanDerWaalsContact O-N 3.17Å; R1042-E1046 HydrophobicContact CG-CG 4.48Å; R1042-E1046 IonicContact CZ-OE1 2.86Å; R1042-E1046 IonicContact NE-OE1 3.85Å; R1042-E1046 PolarHBondContact NE-OE1 3.02Å; R1042-E1046 IonicContact NH2-OE1 2.65Å; R1042-E1046 PolarHBondContact NH2-OE1 3.42Å; R1042-E1046 IonicContact NH2-OE2 3.71Å; R1042-E1046 WeakPolarHBondContact O-CG 3.43Å; R1042-E1046 PolarHBondContact O-N 2.83Å
1043Q75.8Confident75.7Confident22 Ų2295.1 Ų95.110%0.10344%0.435CS..Hα-helixtrans-61.8-41.6178.2-70.9174.1-17.500111.8V1039 I1040 K1045 E1046 M1047 C1126 E1129V1039-Q1043 HydrophobicContact CG1-CG 4.41Å; V1039-Q1043 WeakPolarHBondContact O-CG 3.46Å; V1039-Q1043 PolarHBondContact O-N 3.34Å; I1040-Q1043 PolarHBondContact O-N 2.76Å; I1040-Q1043 VanDerWaalsContact O-N 3.1Å; Q1043-K1045 VanDerWaalsContact C-N 3.32Å; Q1043-K1045 PolarHBondContact O-N 2.89Å; Q1043-E1046 PolarHBondContact O-N 3.43Å; Q1043-M1047 WeakPolarHBondContact O-CG 2.95Å; Q1043-M1047 PolarHBondContact O-N 2.89Å; Q1043-C1126 HydrophobicContact CG-CB 4.39Å; Q1043-E1129 PolarHBondContact NE2-OE2 3.29Å
1044E76.7Confident76.8Confident93 Ų9390.7 Ų90.744%0.43541%0.414SS..Hα-helixtrans-57.6-42.2172.5-74.2-178.8165.700112.6I1040 R1042 K1048I1040-E1044 HydrophobicContact CG2-CG 4.3Å; I1040-E1044 WeakPolarHBondContact O-CG 3.24Å; I1040-E1044 PolarHBondContact O-N 3.02Å; R1042-E1044 PolarHBondContact O-N 3.45Å; E1044-K1048 WeakPolarHBondContact O-CG 3.41Å; E1044-K1048 PolarHBondContact O-N 3Å; E1044-K1048 VanDerWaalsContact O-N 3.11Å
1045K84.3Confident77.4Confident132 Ų13289.2 Ų89.257%0.57441%0.409SS*.Hα-helixtrans-67.5-47.1176.4-174.7-176.8174.7-172.20111.3K1041 R1042 Q1043 M1047 K1048 D1049K1041-K1045 PolarHBondContact O-N 3.45Å; R1042-K1045 WeakPolarHBondContact O-CB 3.48Å; R1042-K1045 PolarHBondContact O-N 2.68Å; R1042-K1045 VanDerWaalsContact O-N 3.17Å; Q1043-K1045 VanDerWaalsContact C-N 3.32Å; Q1043-K1045 PolarHBondContact O-N 2.89Å; K1045-M1047 PolarHBondContact O-N 2.94Å; K1045-K1048 PolarHBondContact O-N 2.87Å; K1045-K1048 VanDerWaalsContact O-N 3.14Å; K1045-D1049 WeakPolarHBondContact CE-OD2 3.38Å; K1045-D1049 WeakPolarHBondContact CG-OD2 3.26Å; K1045-D1049 WeakPolarHBondContact O-CB 3.4Å; K1045-D1049 PolarHBondContact O-N 2.84Å
1046E81.9Confident78.6Confident84 Ų8491.2 Ų91.239%0.39342%0.415SS..Hα-helixtrans-68.7-18.2-179.4-71.1-179-172.100114R1042 Q1043 A1050 K1122R1042-E1046 HydrophobicContact CG-CG 4.48Å; R1042-E1046 IonicContact CZ-OE1 2.86Å; R1042-E1046 IonicContact NE-OE1 3.85Å; R1042-E1046 PolarHBondContact NE-OE1 3.02Å; R1042-E1046 IonicContact NH2-OE1 2.65Å; R1042-E1046 PolarHBondContact NH2-OE1 3.42Å; R1042-E1046 IonicContact NH2-OE2 3.71Å; R1042-E1046 WeakPolarHBondContact O-CG 3.43Å; R1042-E1046 PolarHBondContact O-N 2.83Å; Q1043-E1046 PolarHBondContact O-N 3.43Å; E1046-A1050 WeakPolarHBondContact O-CB 3.36Å; E1046-K1122 PolarHBondContact O-NZ 2.99Å
1047M75.8Confident79.6Confident69 Ų6990.9 Ų90.934%0.3442%0.415SS..Hα-helixtrans-76.9-51.7164.1-74.1-164.5-6800111.7Q1043 K1045 D1049 A1050 E1051 K1123Q1043-M1047 WeakPolarHBondContact O-CG 2.95Å; Q1043-M1047 PolarHBondContact O-N 2.89Å; K1045-M1047 PolarHBondContact O-N 2.94Å; M1047-D1049 VanDerWaalsContact C-N 3.34Å; M1047-D1049 PolarHBondContact O-N 2.73Å; M1047-A1050 WeakPolarHBondContact O-CB 3.34Å; M1047-A1050 PolarHBondContact O-N 2.91Å; M1047-E1051 PolarHBondContact O-N 2.82Å; M1047-K1123 HydrophobicContact SD-CG 4.25Å
1048K79.9Confident80.5Confident121 Ų12188.4 Ų88.453%0.52641%0.405SS..Hα-helixtrans-61-37.9-179.4-75.8173.1177.4171.40113.5E1044 K1045 A1050 K1052E1044-K1048 WeakPolarHBondContact O-CG 3.41Å; E1044-K1048 PolarHBondContact O-N 3Å; E1044-K1048 VanDerWaalsContact O-N 3.11Å; K1045-K1048 PolarHBondContact O-N 2.87Å; K1045-K1048 VanDerWaalsContact O-N 3.14Å; K1048-A1050 VanDerWaalsContact C-N 3.3Å; K1048-K1052 WeakPolarHBondContact O-CG 3.41Å; K1048-K1052 PolarHBondContact O-N 2.8Å; K1048-K1052 VanDerWaalsContact O-N 3.12Å
1049D82.6Confident80.9Confident73 Ų7387.7 Ų87.739%0.3940%0.403SS..Hα-helixtrans-75.1-20.6177.4-68.3-21.1000112.1K1045 M1047 K1052K1045-D1049 WeakPolarHBondContact CE-OD2 3.38Å; K1045-D1049 WeakPolarHBondContact CG-OD2 3.26Å; K1045-D1049 WeakPolarHBondContact O-CB 3.4Å; K1045-D1049 PolarHBondContact O-N 2.84Å; M1047-D1049 VanDerWaalsContact C-N 3.34Å; M1047-D1049 PolarHBondContact O-N 2.73Å; D1049-K1052 IonicContact OD1-NZ 3.19Å; D1049-K1052 PolarHBondContact OD1-NZ 3.3Å
1050A78.7Confident81.6Confident22 Ų2290.1 Ų90.118%0.18242%0.415CS..Hα-helixtrans-81.9-39.1170.400000112.5E1046 M1047 K1048 K1053 Y1054E1046-A1050 WeakPolarHBondContact O-CB 3.36Å; M1047-A1050 WeakPolarHBondContact O-CB 3.34Å; M1047-A1050 PolarHBondContact O-N 2.91Å; K1048-A1050 VanDerWaalsContact C-N 3.3Å; A1050-K1053 WeakPolarHBondContact O-CB 3.39Å; A1050-K1053 PolarHBondContact O-N 3.37Å; A1050-Y1054 WeakPolarHBondContact O-CD2 3.23Å; A1050-Y1054 PolarHBondContact O-N 3.12Å; A1050-Y1054 VanDerWaalsContact O-N 3.09Å
1051E79.9Confident82.2Confident110 Ų11088.5 Ų88.551%0.51441%0.407SS..Hα-helixtrans-56.7-51.1173.6-177.4169.9-132.700111M1047 K1053 Y1054 Q1055M1047-E1051 PolarHBondContact O-N 2.82Å; E1051-K1053 PolarHBondContact O-N 3.03Å; E1051-Y1054 PolarHBondContact O-N 2.92Å; E1051-Y1054 VanDerWaalsContact O-N 3.1Å; E1051-Q1055 PolarHBondContact O-N 2.87Å
1052K85.3Confident82.7Confident130 Ų13085.4 Ų85.457%0.56540%0.397SS*.Hα-helixtrans-54.9-34.4171.7-71171-174.3168.40113.6K1048 D1049 K1056K1048-K1052 WeakPolarHBondContact O-CG 3.41Å; K1048-K1052 PolarHBondContact O-N 2.8Å; K1048-K1052 VanDerWaalsContact O-N 3.12Å; D1049-K1052 IonicContact OD1-NZ 3.19Å; D1049-K1052 PolarHBondContact OD1-NZ 3.3Å; K1052-K1056 WeakPolarHBondContact O-CB 3.43Å; K1052-K1056 PolarHBondContact O-N 2.79Å
1053K86.8Confident82.8Confident148 Ų14881.9 Ų81.964%0.64339%0.387SS*.Hα-helixtrans-71.7-35.4179.3-171.7178.2-179.9-179.90112.1A1050 E1051 K1057A1050-K1053 WeakPolarHBondContact O-CB 3.39Å; A1050-K1053 PolarHBondContact O-N 3.37Å; E1051-K1053 PolarHBondContact O-N 3.03Å; K1053-K1057 WeakPolarHBondContact O-CB 3.15Å; K1053-K1057 PolarHBondContact O-N 3.03Å; K1053-K1057 VanDerWaalsContact O-N 3.1Å
1054Y84.6Confident83.3Confident14 Ų1486.4 Ų86.46%0.05541%0.406CS..Hα-helixtrans-74.5-38.4172.1-82.1-79.3000112.4A1050 E1051 K1057 A1058 L1111 E1114 Q1115 Q1118A1050-Y1054 WeakPolarHBondContact O-CD2 3.23Å; A1050-Y1054 PolarHBondContact O-N 3.12Å; A1050-Y1054 VanDerWaalsContact O-N 3.09Å; E1051-Y1054 PolarHBondContact O-N 2.92Å; E1051-Y1054 VanDerWaalsContact O-N 3.1Å; Y1054-K1057 HydrophobicContact CD1-CD 4Å; Y1054-K1057 HydrophobicContact CE1-CD 4.09Å; Y1054-K1057 WeakPolarHBondContact O-CB 3.32Å; Y1054-K1057 PolarHBondContact O-N 2.94Å; Y1054-A1058 PolarHBondContact O-N 3.35Å; Y1054-L1111 HydrophobicContact CD1-CD2 4.03Å; Y1054-E1114 HydrophobicContact CE1-CB 4.33Å; Y1054-E1114 HydrophobicContact CE1-CG 4.23Å; Y1054-E1114 WeakPolarHBondContact CE1-OE1 3.49Å; Y1054-E1114 PolarHBondContact OH-OE1 2.85Å; Y1054-Q1115 HydrophobicContact CD1-CB 3.7Å; Y1054-Q1115 HydrophobicContact CD1-CG 4.16Å; Y1054-Q1115 HydrophobicContact CD2-CB 4.36Å; Y1054-Q1115 HydrophobicContact CD2-CG 4.07Å; Y1054-Q1115 HydrophobicContact CE1-CB 4.15Å; Y1054-Q1115 HydrophobicContact CG-CB 3.83Å; Y1054-Q1115 HydrophobicContact CG-CG 3.74Å; Y1054-Q1118 HydrophobicContact CE2-CB 4.37Å; Y1054-Q1118 WeakPolarHBondContact OH-CG 3.47Å; Y1054-Q1118 PolarHBondContact OH-NE2 3.16Å; Y1054-Q1118 PolarHBondContact OH-OE1 3.38Å
1055Q79.9Confident83.7Confident110 Ų11082.9 Ų82.951%0.51439%0.389SS..Hα-helixtrans-61.3-48.8174.9-175.5158.95.100111.4E1051 K1057 A1058 E1059E1051-Q1055 PolarHBondContact O-N 2.87Å; Q1055-K1057 PolarHBondContact O-N 3Å; Q1055-A1058 WeakPolarHBondContact O-CB 3.23Å; Q1055-A1058 PolarHBondContact O-N 2.97Å; Q1055-A1058 VanDerWaalsContact O-N 3.08Å; Q1055-E1059 VanDerWaalsContact CG-OE1 3.32Å; Q1055-E1059 WeakPolarHBondContact CG-OE1 3.48Å; Q1055-E1059 WeakPolarHBondContact O-CG 3.29Å; Q1055-E1059 PolarHBondContact O-N 2.76Å
1056K90Very high83.4Confident118 Ų11878.5 Ų78.551%0.51338%0.375SS..Hα-helixtrans-60.2-42.7172.7176.2160.8-178.1160.70112.9K1052 A1058 E1059 D1060K1052-K1056 WeakPolarHBondContact O-CB 3.43Å; K1052-K1056 PolarHBondContact O-N 2.79Å; K1056-A1058 PolarHBondContact O-N 2.83Å; K1056-E1059 PolarHBondContact O-N 3.1Å; K1056-D1060 WeakPolarHBondContact CE-OD1 3.34Å; K1056-D1060 WeakPolarHBondContact CE-OD2 3.23Å; K1056-D1060 WeakPolarHBondContact CG-OD2 3.23Å; K1056-D1060 IonicContact NZ-OD1 2.63Å; K1056-D1060 WeakPolarHBondContact O-CB 3.34Å; K1056-D1060 VanDerWaalsContact O-CG 3.24Å; K1056-D1060 PolarHBondContact O-N 3.44Å
1057K87.4Confident83.3Confident71 Ų7178.2 Ų78.231%0.30938%0.377SS..Hα-helixtrans-53.9-40.4173.3-98.9-177.4164.2-168.90112K1053 Y1054 Q1055 L1061 L1111 E1114K1053-K1057 WeakPolarHBondContact O-CB 3.15Å; K1053-K1057 PolarHBondContact O-N 3.03Å; K1053-K1057 VanDerWaalsContact O-N 3.1Å; Y1054-K1057 HydrophobicContact CD1-CD 4Å; Y1054-K1057 HydrophobicContact CE1-CD 4.09Å; Y1054-K1057 WeakPolarHBondContact O-CB 3.32Å; Y1054-K1057 PolarHBondContact O-N 2.94Å; Q1055-K1057 PolarHBondContact O-N 3Å; K1057-L1061 VanDerWaalsContact O-CB 3.27Å; K1057-L1061 WeakPolarHBondContact O-CB 3.25Å; K1057-L1061 PolarHBondContact O-N 2.82Å; K1057-L1061 VanDerWaalsContact O-N 3.13Å; K1057-L1111 HydrophobicContact CB-CD1 4.11Å; K1057-L1111 HydrophobicContact CB-CD2 4.23Å; K1057-L1111 HydrophobicContact CD-CD1 4.33Å; K1057-E1114 VanDerWaalsContact NZ-CD 3.33Å; K1057-E1114 IonicContact NZ-OE1 3.15Å; K1057-E1114 PolarHBondContact NZ-OE1 3.05Å; K1057-E1114 IonicContact NZ-OE2 3.51Å; K1057-E1114 PolarHBondContact NZ-OE2 2.8Å
1058A83Confident83.4Confident23 Ų2376.8 Ų76.819%0.1937%0.373CS..Hα-helixtrans-72.8-40.217900000111.9Y1054 Q1055 K1056 L1061 I1062 L1108 L1111Y1054-A1058 PolarHBondContact O-N 3.35Å; Q1055-A1058 WeakPolarHBondContact O-CB 3.23Å; Q1055-A1058 PolarHBondContact O-N 2.97Å; Q1055-A1058 VanDerWaalsContact O-N 3.08Å; K1056-A1058 PolarHBondContact O-N 2.83Å; A1058-L1061 PolarHBondContact O-N 2.82Å; A1058-I1062 WeakPolarHBondContact O-CB 3.4Å; A1058-I1062 WeakPolarHBondContact O-CD1 3.4Å; A1058-I1062 VanDerWaalsContact O-CG1 3.24Å; A1058-I1062 WeakPolarHBondContact O-CG1 2.93Å; A1058-I1062 PolarHBondContact O-N 2.66Å; A1058-L1108 HydrophobicContact CB-CD2 4.38Å; A1058-L1111 HydrophobicContact CB-CD2 4.34Å
1059E83.3Confident83.3Confident104 Ų10473.8 Ų73.849%0.48636%0.36SS..Hα-helixtrans-61.2-51173.4-68.9159.4-178.900111.4Q1055 K1056 L1061 I1062 Q1063Q1055-E1059 VanDerWaalsContact CG-OE1 3.32Å; Q1055-E1059 WeakPolarHBondContact CG-OE1 3.48Å; Q1055-E1059 WeakPolarHBondContact O-CG 3.29Å; Q1055-E1059 PolarHBondContact O-N 2.76Å; K1056-E1059 PolarHBondContact O-N 3.1Å; E1059-L1061 PolarHBondContact O-N 2.87Å; E1059-I1062 PolarHBondContact O-N 3.34Å; E1059-Q1063 WeakPolarHBondContact O-CB 3.43Å; E1059-Q1063 PolarHBondContact O-N 3.36Å
1060D88.3Confident83Confident88 Ų8874.1 Ų74.147%0.47136%0.358SS..Hα-helixtrans-56.8-37175.5-68.2-27.4000111.4K1056 K1064K1056-D1060 WeakPolarHBondContact CE-OD1 3.34Å; K1056-D1060 WeakPolarHBondContact CE-OD2 3.23Å; K1056-D1060 WeakPolarHBondContact CG-OD2 3.23Å; K1056-D1060 IonicContact NZ-OD1 2.63Å; K1056-D1060 WeakPolarHBondContact O-CB 3.34Å; K1056-D1060 VanDerWaalsContact O-CG 3.24Å; K1056-D1060 PolarHBondContact O-N 3.44Å; D1060-K1064 WeakPolarHBondContact O-CB 3.29Å; D1060-K1064 PolarHBondContact O-N 3.07Å; D1060-K1064 VanDerWaalsContact O-N 3.11Å
1061L85.9Confident82.8Confident19 Ų1975.5 Ų75.510%0.09937%0.369CS..Hα-helixtrans-73.1-44.3178.3-175.162.7000112.5K1057 A1058 E1059 Q1063 K1064 Y1065 E1107 L1108 L1111K1057-L1061 VanDerWaalsContact O-CB 3.27Å; K1057-L1061 WeakPolarHBondContact O-CB 3.25Å; K1057-L1061 PolarHBondContact O-N 2.82Å; K1057-L1061 VanDerWaalsContact O-N 3.13Å; A1058-L1061 PolarHBondContact O-N 2.82Å; E1059-L1061 PolarHBondContact O-N 2.87Å; L1061-Q1063 VanDerWaalsContact C-N 3.32Å; L1061-K1064 HydrophobicContact CD1-CD 4.29Å; L1061-K1064 PolarHBondContact O-N 3.35Å; L1061-Y1065 HydrophobicContact CD1-CD2 4.05Å; L1061-Y1065 HydrophobicContact CD1-CE2 3.8Å; L1061-Y1065 HydrophobicContact CG-CD2 4.29Å; L1061-Y1065 HydrophobicContact CG-CE2 4.34Å; L1061-Y1065 WeakPolarHBondContact O-CD2 3.15Å; L1061-Y1065 PolarHBondContact O-N 3.05Å; L1061-Y1065 VanDerWaalsContact O-N 3.14Å; L1061-E1107 WeakPolarHBondContact CD1-OE2 3.48Å; L1061-E1107 HydrophobicContact CD2-CB 4Å; L1061-L1108 HydrophobicContact CD2-CD2 3.98Å; L1061-L1108 HydrophobicContact CD2-CG 4.13Å; L1061-L1111 HydrophobicContact CD2-CD1 4.08Å
1062I84.9Confident82.5Confident86 Ų8672.5 Ų72.544%0.44136%0.357SS..Hα-helixtrans-62.2-42.4176.2-71.6163.6000109.9A1058 E1059 Y1065 S1066 L1108A1058-I1062 WeakPolarHBondContact O-CB 3.4Å; A1058-I1062 WeakPolarHBondContact O-CD1 3.4Å; A1058-I1062 VanDerWaalsContact O-CG1 3.24Å; A1058-I1062 WeakPolarHBondContact O-CG1 2.93Å; A1058-I1062 PolarHBondContact O-N 2.66Å; E1059-I1062 PolarHBondContact O-N 3.34Å; I1062-Y1065 PolarHBondContact O-N 2.79Å; I1062-S1066 WeakPolarHBondContact O-CB 3.25Å; I1062-S1066 PolarHBondContact O-N 2.89Å; I1062-L1108 HydrophobicContact CD1-CD2 4.34Å; I1062-L1108 HydrophobicContact CG1-CD1 4.22Å; I1062-L1108 HydrophobicContact CG1-CD2 4.14Å
1063Q83.4Confident81.5Confident82 Ų8273.7 Ų73.738%0.38336%0.362SS..Hα-helixtrans-60.8-50.4175.8-169.163.442.600111.5E1059 L1061 Y1065 S1066 D1067E1059-Q1063 WeakPolarHBondContact O-CB 3.43Å; E1059-Q1063 PolarHBondContact O-N 3.36Å; L1061-Q1063 VanDerWaalsContact C-N 3.32Å; Q1063-Y1065 PolarHBondContact O-N 3.32Å; Q1063-Y1065 VanDerWaalsContact O-N 3.17Å; Q1063-S1066 CarbonylContact O-C 3.57Å; Q1063-S1066 WeakPolarHBondContact O-CA 3.47Å; Q1063-S1066 VanDerWaalsContact O-CB 3.31Å; Q1063-S1066 WeakPolarHBondContact O-CB 3.48Å; Q1063-S1066 PolarHBondContact O-N 3.04Å; Q1063-D1067 PolarHBondContact NE2-OD1 2.9Å; Q1063-D1067 VanDerWaalsContact O-CG 3.22Å; Q1063-D1067 PolarHBondContact O-N 3.45Å
1064K87.6Confident80.7Confident117 Ų11774.1 Ų74.151%0.50936%0.363SS..Hα-helixtrans-52.8-38.7176.7173.2-166.9165.1-149.90112.8D1060 L1061 S1068 E1107D1060-K1064 WeakPolarHBondContact O-CB 3.29Å; D1060-K1064 PolarHBondContact O-N 3.07Å; D1060-K1064 VanDerWaalsContact O-N 3.11Å; L1061-K1064 HydrophobicContact CD1-CD 4.29Å; L1061-K1064 PolarHBondContact O-N 3.35Å; K1064-S1068 PolarHBondContact O-N 3.26Å; K1064-E1107 IonicContact NZ-OE2 2.63Å
1065Y83.6Confident79.6Confident19 Ų1981 Ų818%0.07539%0.394CS..Hα-helixtrans-77-39.9175-84-76.6000112.8L1061 I1062 Q1063 D1067 S1068 F1069 M1104 E1107L1061-Y1065 HydrophobicContact CD1-CD2 4.05Å; L1061-Y1065 HydrophobicContact CD1-CE2 3.8Å; L1061-Y1065 HydrophobicContact CG-CD2 4.29Å; L1061-Y1065 HydrophobicContact CG-CE2 4.34Å; L1061-Y1065 WeakPolarHBondContact O-CD2 3.15Å; L1061-Y1065 PolarHBondContact O-N 3.05Å; L1061-Y1065 VanDerWaalsContact O-N 3.14Å; I1062-Y1065 PolarHBondContact O-N 2.79Å; Q1063-Y1065 PolarHBondContact O-N 3.32Å; Q1063-Y1065 VanDerWaalsContact O-N 3.17Å; Y1065-D1067 VanDerWaalsContact C-N 3.34Å; Y1065-D1067 PolarHBondContact O-N 3.33Å; Y1065-S1068 WeakPolarHBondContact O-CA 3.43Å; Y1065-S1068 VanDerWaalsContact O-CB 3.29Å; Y1065-S1068 WeakPolarHBondContact O-CB 3.33Å; Y1065-S1068 PolarHBondContact O-N 3.1Å; Y1065-S1068 VanDerWaalsContact O-N 3.09Å; Y1065-F1069 WeakPolarHBondContact O-CD2 3.41Å; Y1065-F1069 PolarHBondContact O-N 2.99Å; Y1065-M1104 HydrophobicContact CD1-CB 3.8Å; Y1065-M1104 HydrophobicContact CD1-CG 4.27Å; Y1065-M1104 HydrophobicContact CD2-CB 3.84Å; Y1065-M1104 HydrophobicContact CD2-CG 3.63Å; Y1065-M1104 HydrophobicContact CD2-SD 4.47Å; Y1065-M1104 HydrophobicContact CE1-CB 3.96Å; Y1065-M1104 HydrophobicContact CE2-CB 4.01Å; Y1065-M1104 HydrophobicContact CE2-CG 4.19Å; Y1065-M1104 HydrophobicContact CG-CB 3.73Å; Y1065-M1104 HydrophobicContact CG-CG 3.68Å; Y1065-M1104 HydrophobicContact CG-SD 4.05Å; Y1065-E1107 PolarHBondContact OH-OE1 3.16Å; Y1065-E1107 PolarHBondContact OH-OE2 3.17Å
1066S78.2Confident78.5Confident40 Ų4077.2 Ų77.228%0.2838%0.384SS..Hα-helixtrans-53.6-49.4172.2-167.80000111.5I1062 Q1063 S1068 F1069 K1070I1062-S1066 WeakPolarHBondContact O-CB 3.25Å; I1062-S1066 PolarHBondContact O-N 2.89Å; Q1063-S1066 CarbonylContact O-C 3.57Å; Q1063-S1066 WeakPolarHBondContact O-CA 3.47Å; Q1063-S1066 VanDerWaalsContact O-CB 3.31Å; Q1063-S1066 WeakPolarHBondContact O-CB 3.48Å; Q1063-S1066 PolarHBondContact O-N 3.04Å; S1066-S1068 VanDerWaalsContact C-N 3.28Å; S1066-S1068 PolarHBondContact O-N 3.38Å; S1066-F1069 PolarHBondContact O-N 2.86Å; S1066-F1069 VanDerWaalsContact O-N 3.11Å; S1066-K1070 PolarHBondContact O-N 2.65Å
1067D80.6Confident76.8Confident79 Ų7975.5 Ų75.542%0.42239%0.387SS..Hα-helixtrans-61.4-36.3176.8-60.2-22000111.7Q1063 Y1065 A1071Q1063-D1067 PolarHBondContact NE2-OD1 2.9Å; Q1063-D1067 VanDerWaalsContact O-CG 3.22Å; Q1063-D1067 PolarHBondContact O-N 3.45Å; Y1065-D1067 VanDerWaalsContact C-N 3.34Å; Y1065-D1067 PolarHBondContact O-N 3.33Å; D1067-A1071 VanDerWaalsContact O-CB 3.24Å; D1067-A1071 WeakPolarHBondContact O-CB 3.42Å; D1067-A1071 PolarHBondContact O-N 2.98Å
1068S76.9Confident75.2Confident39 Ų3977.7 Ų77.727%0.27340%0.401SS..Hα-helixtrans-65-43.1173.9-134.90000112.1K1064 Y1065 S1066 A1071 I1072 Q1100K1064-S1068 PolarHBondContact O-N 3.26Å; Y1065-S1068 WeakPolarHBondContact O-CA 3.43Å; Y1065-S1068 VanDerWaalsContact O-CB 3.29Å; Y1065-S1068 WeakPolarHBondContact O-CB 3.33Å; Y1065-S1068 PolarHBondContact O-N 3.1Å; Y1065-S1068 VanDerWaalsContact O-N 3.09Å; S1066-S1068 VanDerWaalsContact C-N 3.28Å; S1066-S1068 PolarHBondContact O-N 3.38Å; S1068-A1071 PolarHBondContact O-N 3.18Å; S1068-I1072 WeakPolarHBondContact O-CG1 3.44Å; S1068-I1072 PolarHBondContact O-N 2.92Å; S1068-Q1100 PolarHBondContact OG-NE2 3.14Å
1069F78.5Confident73.6Confident57 Ų5782.4 Ų82.425%0.2542%0.418CS..Hα-helixtrans-67.1-44174.7-65.1-58.4000111.7Y1065 S1066 A1071 I1072 K1073 V1097 Q1100 K1101 M1104Y1065-F1069 WeakPolarHBondContact O-CD2 3.41Å; Y1065-F1069 PolarHBondContact O-N 2.99Å; S1066-F1069 PolarHBondContact O-N 2.86Å; S1066-F1069 VanDerWaalsContact O-N 3.11Å; F1069-A1071 VanDerWaalsContact C-N 3.3Å; F1069-A1071 PolarHBondContact O-N 2.93Å; F1069-I1072 PolarHBondContact O-N 3.1Å; F1069-K1073 WeakPolarHBondContact O-CB 3.34Å; F1069-K1073 PolarHBondContact O-N 3.33Å; F1069-V1097 HydrophobicContact CD1-CG1 4.34Å; F1069-V1097 HydrophobicContact CE1-CG1 4.12Å; F1069-Q1100 HydrophobicContact CE1-CB 3.7Å; F1069-Q1100 HydrophobicContact CZ-CB 3.96Å; F1069-K1101 HydrophobicContact CZ-CB 4.34Å; F1069-M1104 HydrophobicContact CE2-SD 4.13Å
1070K76.8Confident72.1Confident81 Ų8186.3 Ų86.335%0.35243%0.433SS..Hα-helixtrans-56.9-42.8172.4-68.6-163.9-174.6-163.60110.2E535 E539 S1066 K1073 K1074E535-K1070 IonicContact OE2-NZ 2.68Å; E535-K1070 PolarHBondContact OE2-NZ 2.88Å; E539-K1070 IonicContact OE1-NZ 2.76Å; E539-K1070 PolarHBondContact OE1-NZ 2.94Å; S1066-K1070 PolarHBondContact O-N 2.65Å; K1070-K1073 PolarHBondContact O-N 2.72Å; K1070-K1074 WeakPolarHBondContact O-CB 3.22Å; K1070-K1074 PolarHBondContact O-N 3.39Å
1071A74.1Confident70.3Confident50 Ų5091.2 Ų91.241%0.41345%0.45SS..Hα-helixtrans-68-38.5177.600000114.4D1067 S1068 F1069 K1075D1067-A1071 VanDerWaalsContact O-CB 3.24Å; D1067-A1071 WeakPolarHBondContact O-CB 3.42Å; D1067-A1071 PolarHBondContact O-N 2.98Å; S1068-A1071 PolarHBondContact O-N 3.18Å; F1069-A1071 VanDerWaalsContact C-N 3.3Å; F1069-A1071 PolarHBondContact O-N 2.93Å; A1071-K1075 WeakPolarHBondContact O-CG 3.25Å; A1071-K1075 PolarHBondContact O-N 2.92Å
1072I73.6Confident68.4Low48 Ų4897.9 Ų97.925%0.24648%0.481CS..Hα-helixtrans-66.8-42.5173.6-72.7174.1000110.6S1068 F1069 K1075 G1076 V1097S1068-I1072 WeakPolarHBondContact O-CG1 3.44Å; S1068-I1072 PolarHBondContact O-N 2.92Å; F1069-I1072 PolarHBondContact O-N 3.1Å; I1072-K1075 PolarHBondContact O-N 3.41Å; I1072-G1076 PolarHBondContact O-N 3.49Å; I1072-V1097 HydrophobicContact CG2-CG2 4.01Å
1073K63.9Low66.6Low155 Ų15598.2 Ų98.267%0.67451%0.505SS*.Hα-helixtrans-58.1-48.8174.9-166.4-174.8178.3-163.20110.8F1069 K1070 K1075 G1076 S1077F1069-K1073 WeakPolarHBondContact O-CB 3.34Å; F1069-K1073 PolarHBondContact O-N 3.33Å; K1070-K1073 PolarHBondContact O-N 2.72Å; K1073-K1075 PolarHBondContact O-N 2.8Å; K1073-G1076 WeakPolarHBondContact O-CA 3.32Å; K1073-G1076 PolarHBondContact O-N 3.22Å; K1073-S1077 PolarHBondContact O-N 3.21Å
1074K70.1Confident64.6Low156 Ų15697.3 Ų97.368%0.67852%0.518SS*.Hα-helixtrans-63.3-40.1178.9-165158.2-173.4159.80113.1K1070 G1076 S1077 L1078K1070-K1074 WeakPolarHBondContact O-CB 3.22Å; K1070-K1074 PolarHBondContact O-N 3.39Å; K1074-G1076 VanDerWaalsContact C-N 3.28Å; K1074-G1076 PolarHBondContact O-N 2.81Å; K1074-S1077 PolarHBondContact O-N 3.15Å; K1074-L1078 PolarHBondContact O-N 3.35Å
1075K61.4Low62.8Low160 Ų16099.3 Ų99.370%0.69654%0.535SS*.Hα-helixtrans-67.4-26.4171.7-75-177.2177.4-179.10113.3A1071 I1072 K1073A1071-K1075 WeakPolarHBondContact O-CG 3.25Å; A1071-K1075 PolarHBondContact O-N 2.92Å; I1072-K1075 PolarHBondContact O-N 3.41Å; K1073-K1075 PolarHBondContact O-N 2.8Å
1076G56.8Low60.9Low30 Ų30103.8 Ų103.831%0.30956%0.56SS.*Hα-helixtrans-65.7-43.517200000113.2I1072 K1073 K1074I1072-G1076 PolarHBondContact O-N 3.49Å; K1073-G1076 WeakPolarHBondContact O-CA 3.32Å; K1073-G1076 PolarHBondContact O-N 3.22Å; K1074-G1076 VanDerWaalsContact C-N 3.28Å; K1074-G1076 PolarHBondContact O-N 2.81Å
1077S53.8Low59.6Low82 Ų82107 Ų10757%0.57358%0.583SS**Hα-helixtrans-72.3-42.3-179.3-59.90000113.5K1073 K1074 K1079 K1080 K1081K1073-S1077 PolarHBondContact O-N 3.21Å; K1074-S1077 PolarHBondContact O-N 3.15Å; S1077-K1079 VanDerWaalsContact C-N 3.34Å; S1077-K1079 PolarHBondContact O-N 3.39Å; S1077-K1080 WeakPolarHBondContact O-CB 3.31Å; S1077-K1080 PolarHBondContact O-N 3.34Å; S1077-K1081 PolarHBondContact O-N 2.89Å
1078L53.6Low58.1Low116 Ų116107 Ų10761%0.60759%0.588SS**Hα-helixtrans-57.8-46178.5-76.9163.7000111.8K1074 K1080 K1081K1074-L1078 PolarHBondContact O-N 3.35Å; L1078-K1080 PolarHBondContact O-N 2.85Å; L1078-K1081 PolarHBondContact O-N 2.82Å
1079K51.1Low56.9Low123 Ų123107.5 Ų107.554%0.53559%0.588SS.*THydrogen-bonded Turntrans-70.29.2177-149.2-171.9176.3-164.30113.9S1077 D1089S1077-K1079 VanDerWaalsContact C-N 3.34Å; S1077-K1079 PolarHBondContact O-N 3.39Å; K1079-D1089 VanDerWaalsContact NZ-CG 3.3Å; K1079-D1089 IonicContact NZ-OD1 3.8Å; K1079-D1089 PolarHBondContact NZ-OD1 3.26Å; K1079-D1089 IonicContact NZ-OD2 2.71Å; K1079-D1089 PolarHBondContact NZ-OD2 2.97Å
1080K52Low55.8Low185 Ų185109.8 Ų109.880%0.80460%0.603SS**THydrogen-bonded Turntrans-116.9-9.4174.2-149.6-172.1-179.3-168.80112.9S1077 L1078S1077-K1080 WeakPolarHBondContact O-CB 3.31Å; S1077-K1080 PolarHBondContact O-N 3.34Å; L1078-K1080 PolarHBondContact O-N 2.85Å
1081K49.8Very low54.6Low192 Ų192109.8 Ų109.884%0.83561%0.613SS**THydrogen-bonded Turntrans-84.2-26.5170-121.7176.8-179.2177.30111.3S1077 L1078S1077-K1081 PolarHBondContact O-N 2.89Å; L1078-K1081 PolarHBondContact O-N 2.82Å
1082E46.3Very low53.8Low158 Ų158111.1 Ų111.174%0.73862%0.616SS**SBendtrans-89123.2164.5-65.1-179.4148.800109.8G1084E1082-G1084 PolarHBondContact O-N 2.96Å; E1082-G1084 VanDerWaalsContact O-N 3.13Å
1083G45.8Very low53.1Low93 Ų93112.3 Ų112.396%0.95962%0.619SS**  trans-76.598.4-169.500000114.3
1084G42Very low53Low64 Ų64112.6 Ų112.666%0.6662%0.621SS**  trans-149.299.4170.600000112.4E1082E1082-G1084 PolarHBondContact O-N 2.96Å; E1082-G1084 VanDerWaalsContact O-N 3.13Å
1085D49Very low53Low158 Ų158111.2 Ų111.285%0.84562%0.616SS**  trans-76.2133.3175.1-170.216000111.1
1086N45Very low53.4Low114 Ų114111.8 Ų111.861%0.6161%0.614SS**  trans-162100.3178.5-113.3-47.4000110.3S1088 D1089N1086-S1088 PolarHBondContact O-N 3.37Å; N1086-S1088 VanDerWaalsContact O-N 3.14Å; N1086-D1089 PolarHBondContact O-N 2.89Å
1087S50.7Low54.2Low108 Ų108113 Ų11376%0.75562%0.616SS**THydrogen-bonded Turntrans-57.1-30.9-174.4-170.90000114.1D1089 N1090S1087-D1089 PolarHBondContact O-N 3.47Å; S1087-N1090 PolarHBondContact O-N 3.14Å
1088S49.3Very low55.1Low78 Ų78113 Ų11355%0.54561%0.607SS.*Hα-helixtrans-62.4-39.4178.452.20000113.8N1086 N1090 S1091N1086-S1088 PolarHBondContact O-N 3.37Å; N1086-S1088 VanDerWaalsContact O-N 3.14Å; S1088-N1090 PolarHBondContact O-N 2.67Å; S1088-S1091 PolarHBondContact O-N 3.31Å; S1088-S1091 VanDerWaalsContact O-N 3.16Å
1089D52.3Low56.3Low50 Ų50111.3 Ų111.327%0.26760%0.598SS.*Hα-helixtrans-66.9-12.2-176.6-160.654000112K1079 N1086 S1087 K1093K1079-D1089 VanDerWaalsContact NZ-CG 3.3Å; K1079-D1089 IonicContact NZ-OD1 3.8Å; K1079-D1089 PolarHBondContact NZ-OD1 3.26Å; K1079-D1089 IonicContact NZ-OD2 2.71Å; K1079-D1089 PolarHBondContact NZ-OD2 2.97Å; N1086-D1089 PolarHBondContact O-N 2.89Å; S1087-D1089 PolarHBondContact O-N 3.47Å; D1089-K1093 WeakPolarHBondContact O-CD 3.49Å; D1089-K1093 WeakPolarHBondContact O-CE 3.37Å; D1089-K1093 WeakPolarHBondContact O-CG 3.46Å; D1089-K1093 PolarHBondContact O-NZ 2.67Å; D1089-K1093 WeakPolarHBondContact OD2-CE 3.34Å; D1089-K1093 IonicContact OD2-NZ 3.81Å; D1089-K1093 PolarHBondContact OD2-NZ 3.28Å
1090N53.8Low57.6Low105 Ų105107.3 Ų107.356%0.56158%0.581SS**Hα-helixtrans-91-26.9178.3-140.811.6000113.1S1087 S1088 K1094S1087-N1090 PolarHBondContact O-N 3.14Å; S1088-N1090 PolarHBondContact O-N 2.67Å; N1090-K1094 PolarHBondContact O-N 3.24Å
1091S51.3Low58.8Low80 Ų80103 Ų10356%0.55956%0.562SS**Hα-helixtrans-68.9-50.4172.3-167.30000110.5S1088 K1093 K1094 E1095S1088-S1091 PolarHBondContact O-N 3.31Å; S1088-S1091 VanDerWaalsContact O-N 3.16Å; S1091-K1093 PolarHBondContact O-N 2.81Å; S1091-K1094 PolarHBondContact O-N 2.93Å; S1091-E1095 PolarHBondContact O-N 3.18Å
1092V58Low60.4Low78 Ų7896.8 Ų96.847%0.47354%0.538SS..Hα-helixtrans-59.3-30.8179.1-1780000111.9R1096V1092-R1096 WeakPolarHBondContact O-CB 3.36Å; V1092-R1096 PolarHBondContact O-N 3.45Å
1093K59Low62.3Low73 Ų7394.3 Ų94.332%0.31753%0.525SS..Hα-helixtrans-69.1-42.6173.6-75.2165.6-161.5156.90112.7D1089 S1091 V1097D1089-K1093 WeakPolarHBondContact O-CD 3.49Å; D1089-K1093 WeakPolarHBondContact O-CE 3.37Å; D1089-K1093 WeakPolarHBondContact O-CG 3.46Å; D1089-K1093 PolarHBondContact O-NZ 2.67Å; D1089-K1093 WeakPolarHBondContact OD2-CE 3.34Å; D1089-K1093 IonicContact OD2-NZ 3.81Å; D1089-K1093 PolarHBondContact OD2-NZ 3.28Å; S1091-K1093 PolarHBondContact O-N 2.81Å; K1093-V1097 WeakPolarHBondContact O-CB 3.47Å; K1093-V1097 VanDerWaalsContact O-CG2 3.29Å; K1093-V1097 WeakPolarHBondContact O-CG2 3.48Å; K1093-V1097 PolarHBondContact O-N 2.86Å; K1093-V1097 VanDerWaalsContact O-N 3.09Å
1094K62.1Low64.2Low162 Ų16291.7 Ų91.770%0.70449%0.489SS*.Hα-helixtrans-65-46.9176-74.3-175.2176.1-177.30111.4N1090 S1091 V1097 Q1098N1090-K1094 PolarHBondContact O-N 3.24Å; S1091-K1094 PolarHBondContact O-N 2.93Å; K1094-V1097 PolarHBondContact O-N 3.12Å; K1094-Q1098 WeakPolarHBondContact O-CB 3.41Å; K1094-Q1098 PolarHBondContact O-N 3.35Å
1095E69.8Low66Low126 Ų12693.7 Ų93.759%0.58948%0.481SS*.Hα-helixtrans-55.6-53.3176.1-172171.5-155.500110.7S1091 V1097 Q1098 D1099S1091-E1095 PolarHBondContact O-N 3.18Å; E1095-V1097 VanDerWaalsContact C-N 3.31Å; E1095-V1097 PolarHBondContact O-N 2.85Å; E1095-Q1098 WeakPolarHBondContact O-CB 3.44Å; E1095-Q1098 PolarHBondContact O-N 3.13Å; E1095-Q1098 VanDerWaalsContact O-N 3.12Å; E1095-D1099 WeakPolarHBondContact O-CB 3.42Å; E1095-D1099 PolarHBondContact O-N 3.19Å
1096R69.7Low68Low172 Ų17290.6 Ų90.665%0.64947%0.467SS*.Hα-helixtrans-64.4-27.3-180-168.5173.4-172.6160.14.6115V1092 Q1100V1092-R1096 WeakPolarHBondContact O-CB 3.36Å; V1092-R1096 PolarHBondContact O-N 3.45Å; R1096-Q1100 PolarHBondContact O-N 3.17Å
1097V73.4Confident70.1Confident56 Ų5688.9 Ų88.934%0.33946%0.456SS..Hα-helixtrans-76.2-40.4172.8166.20000111F1069 I1072 K1093 K1094 E1095 Q1100 K1101F1069-V1097 HydrophobicContact CD1-CG1 4.34Å; F1069-V1097 HydrophobicContact CE1-CG1 4.12Å; I1072-V1097 HydrophobicContact CG2-CG2 4.01Å; K1093-V1097 WeakPolarHBondContact O-CB 3.47Å; K1093-V1097 VanDerWaalsContact O-CG2 3.29Å; K1093-V1097 WeakPolarHBondContact O-CG2 3.48Å; K1093-V1097 PolarHBondContact O-N 2.86Å; K1093-V1097 VanDerWaalsContact O-N 3.09Å; K1094-V1097 PolarHBondContact O-N 3.12Å; E1095-V1097 VanDerWaalsContact C-N 3.31Å; E1095-V1097 PolarHBondContact O-N 2.85Å; V1097-Q1100 PolarHBondContact O-N 3.48Å; V1097-K1101 PolarHBondContact O-N 3.31Å
1098Q72.3Confident71.6Confident83 Ų8385.9 Ų85.939%0.38843%0.431SS..Hα-helixtrans-63.5-44173.9-176.756.832.800110.6K1094 E1095 Q1100 K1101 D1102K1094-Q1098 WeakPolarHBondContact O-CB 3.41Å; K1094-Q1098 PolarHBondContact O-N 3.35Å; E1095-Q1098 WeakPolarHBondContact O-CB 3.44Å; E1095-Q1098 PolarHBondContact O-N 3.13Å; E1095-Q1098 VanDerWaalsContact O-N 3.12Å; Q1098-Q1100 VanDerWaalsContact C-N 3.29Å; Q1098-Q1100 PolarHBondContact O-N 3.24Å; Q1098-K1101 WeakPolarHBondContact O-CB 3.41Å; Q1098-K1101 PolarHBondContact O-N 3.38Å; Q1098-D1102 PolarHBondContact NE2-OD1 2.63Å; Q1098-D1102 PolarHBondContact NE2-OD2 2.94Å; Q1098-D1102 VanDerWaalsContact O-CG 3.31Å; Q1098-D1102 PolarHBondContact O-N 2.9Å
1099D80.6Confident73.2Confident80 Ų8088.5 Ų88.543%0.42844%0.435SS..Hα-helixtrans-52.4-41.9172.9-130.550.2000113.3E1095 K1103E1095-D1099 WeakPolarHBondContact O-CB 3.42Å; E1095-D1099 PolarHBondContact O-N 3.19Å; D1099-K1103 WeakPolarHBondContact O-CB 3.48Å; D1099-K1103 VanDerWaalsContact O-CD 3.29Å; D1099-K1103 WeakPolarHBondContact O-CD 3.25Å; D1099-K1103 VanDerWaalsContact O-CG 3.24Å; D1099-K1103 WeakPolarHBondContact O-CG 3.31Å; D1099-K1103 PolarHBondContact O-N 2.8Å; D1099-K1103 IonicContact OD2-NZ 3.23Å; D1099-K1103 PolarHBondContact OD2-NZ 3.03Å
1100Q76.9Confident75Confident39 Ų3989 Ų8918%0.18245%0.446CS..Hα-helixtrans-74-36.8175.9-83-160.1-3500112.9S1068 F1069 R1096 V1097 Q1098 K1103 M1104S1068-Q1100 PolarHBondContact OG-NE2 3.14Å; F1069-Q1100 HydrophobicContact CE1-CB 3.7Å; F1069-Q1100 HydrophobicContact CZ-CB 3.96Å; R1096-Q1100 PolarHBondContact O-N 3.17Å; V1097-Q1100 PolarHBondContact O-N 3.48Å; Q1098-Q1100 VanDerWaalsContact C-N 3.29Å; Q1098-Q1100 PolarHBondContact O-N 3.24Å; Q1100-K1103 PolarHBondContact O-N 2.87Å; Q1100-M1104 WeakPolarHBondContact O-CB 2.88Å; Q1100-M1104 PolarHBondContact O-N 3.06Å
1101K77.8Confident76.7Confident93 Ų9385.2 Ų85.240%0.40443%0.426SS..Hα-helixtrans-63.5-42.5176-178.4-174.3172.9-169.10111.4F1069 V1097 Q1098 M1104 Q1105F1069-K1101 HydrophobicContact CZ-CB 4.34Å; V1097-K1101 PolarHBondContact O-N 3.31Å; Q1098-K1101 WeakPolarHBondContact O-CB 3.41Å; Q1098-K1101 PolarHBondContact O-N 3.38Å; K1101-M1104 WeakPolarHBondContact O-CB 3.12Å; K1101-M1104 PolarHBondContact O-N 3.32Å; K1101-Q1105 WeakPolarHBondContact O-CG 3.37Å; K1101-Q1105 PolarHBondContact O-N 2.65Å
1102D82.6Confident78.1Confident62 Ų6289.3 Ų89.333%0.33243%0.429SS..Hα-helixtrans-74.1-33.7-178.6-61.5-18.9000111.1Q1098 Q1105 T1106Q1098-D1102 PolarHBondContact NE2-OD1 2.63Å; Q1098-D1102 PolarHBondContact NE2-OD2 2.94Å; Q1098-D1102 VanDerWaalsContact O-CG 3.31Å; Q1098-D1102 PolarHBondContact O-N 2.9Å; D1102-Q1105 PolarHBondContact O-N 2.91Å; D1102-T1106 WeakPolarHBondContact O-CB 3.25Å; D1102-T1106 PolarHBondContact O-N 3.46Å; D1102-T1106 PolarHBondContact O-OG1 3.44Å
1103K86.4Confident79.3Confident106 Ų10688.8 Ų88.846%0.46143%0.426SS..Hα-helixtrans-63.4-45.1167.3-75.3163.9-175151.80112.2D1099 Q1100 Q1105 T1106 E1107D1099-K1103 WeakPolarHBondContact O-CB 3.48Å; D1099-K1103 VanDerWaalsContact O-CD 3.29Å; D1099-K1103 WeakPolarHBondContact O-CD 3.25Å; D1099-K1103 VanDerWaalsContact O-CG 3.24Å; D1099-K1103 WeakPolarHBondContact O-CG 3.31Å; D1099-K1103 PolarHBondContact O-N 2.8Å; D1099-K1103 IonicContact OD2-NZ 3.23Å; D1099-K1103 PolarHBondContact OD2-NZ 3.03Å; Q1100-K1103 PolarHBondContact O-N 2.87Å; K1103-Q1105 PolarHBondContact O-N 3.45Å; K1103-T1106 PolarHBondContact O-N 3.1Å; K1103-E1107 PolarHBondContact O-N 2.8Å
1104M86.8Confident80.6Confident39 Ų3988.7 Ų88.719%0.19243%0.427CS..Hα-helixtrans-59.9-44.2175.6-177.7-173.672.400111.8Y1065 F1069 Q1100 K1101 L1108Y1065-M1104 HydrophobicContact CD1-CB 3.8Å; Y1065-M1104 HydrophobicContact CD1-CG 4.27Å; Y1065-M1104 HydrophobicContact CD2-CB 3.84Å; Y1065-M1104 HydrophobicContact CD2-CG 3.63Å; Y1065-M1104 HydrophobicContact CD2-SD 4.47Å; Y1065-M1104 HydrophobicContact CE1-CB 3.96Å; Y1065-M1104 HydrophobicContact CE2-CB 4.01Å; Y1065-M1104 HydrophobicContact CE2-CG 4.19Å; Y1065-M1104 HydrophobicContact CG-CB 3.73Å; Y1065-M1104 HydrophobicContact CG-CG 3.68Å; Y1065-M1104 HydrophobicContact CG-SD 4.05Å; F1069-M1104 HydrophobicContact CE2-SD 4.13Å; Q1100-M1104 WeakPolarHBondContact O-CB 2.88Å; Q1100-M1104 PolarHBondContact O-N 3.06Å; K1101-M1104 WeakPolarHBondContact O-CB 3.12Å; K1101-M1104 PolarHBondContact O-N 3.32Å; M1104-L1108 HydrophobicContact CG-CD1 3.99Å; M1104-L1108 WeakPolarHBondContact O-CB 3.38Å; M1104-L1108 WeakPolarHBondContact O-CG 3.2Å; M1104-L1108 PolarHBondContact O-N 2.88Å
1105Q80.2Confident81.9Confident106 Ų10683.3 Ų83.350%0.49540%0.404SS..Hα-helixtrans-63.1-41.8175.2-74.3-174-22.600111.7K1101 D1102 K1103 L1108 Q1109K1101-Q1105 WeakPolarHBondContact O-CG 3.37Å; K1101-Q1105 PolarHBondContact O-N 2.65Å; D1102-Q1105 PolarHBondContact O-N 2.91Å; K1103-Q1105 PolarHBondContact O-N 3.45Å; Q1105-L1108 PolarHBondContact O-N 3.21Å; Q1105-Q1109 VanDerWaalsContact O-CB 3.28Å; Q1105-Q1109 WeakPolarHBondContact O-CB 3.29Å; Q1105-Q1109 PolarHBondContact O-N 3.48Å
1106T90.1Very high82.2Confident92 Ų9279.9 Ų79.956%0.56439%0.393SS*.Hα-helixtrans-63.7-47177-55.30000112.1D1102 K1103 Q1109 A1110D1102-T1106 WeakPolarHBondContact O-CB 3.25Å; D1102-T1106 PolarHBondContact O-N 3.46Å; D1102-T1106 PolarHBondContact O-OG1 3.44Å; K1103-T1106 PolarHBondContact O-N 3.1Å; T1106-Q1109 PolarHBondContact O-N 2.97Å; T1106-A1110 WeakPolarHBondContact O-CB 3.42Å; T1106-A1110 PolarHBondContact O-N 2.91Å
1107E88.6Confident82.9Confident79 Ų7975.6 Ų75.637%0.36938%0.383SS..Hα-helixtrans-65.6-39.6178.2-71.5-172.7-168.400111.5L1061 K1064 Y1065 K1103 A1110 L1111L1061-E1107 WeakPolarHBondContact CD1-OE2 3.48Å; L1061-E1107 HydrophobicContact CD2-CB 4Å; K1064-E1107 IonicContact NZ-OE2 2.63Å; Y1065-E1107 PolarHBondContact OH-OE1 3.16Å; Y1065-E1107 PolarHBondContact OH-OE2 3.17Å; K1103-E1107 PolarHBondContact O-N 2.8Å; E1107-A1110 PolarHBondContact O-N 2.78Å; E1107-L1111 VanDerWaalsContact O-CB 3.29Å; E1107-L1111 WeakPolarHBondContact O-CB 3.13Å; E1107-L1111 PolarHBondContact O-N 3.33Å
1108L83.5Confident83.2Confident45 Ų4577 Ų7724%0.23639%0.386CS..Hα-helixtrans-65-42.3173.9-77.7167.7000112.6A1058 L1061 I1062 M1104 Q1105 L1111 W1112A1058-L1108 HydrophobicContact CB-CD2 4.38Å; L1061-L1108 HydrophobicContact CD2-CD2 3.98Å; L1061-L1108 HydrophobicContact CD2-CG 4.13Å; I1062-L1108 HydrophobicContact CD1-CD2 4.34Å; I1062-L1108 HydrophobicContact CG1-CD1 4.22Å; I1062-L1108 HydrophobicContact CG1-CD2 4.14Å; M1104-L1108 HydrophobicContact CG-CD1 3.99Å; M1104-L1108 WeakPolarHBondContact O-CB 3.38Å; M1104-L1108 WeakPolarHBondContact O-CG 3.2Å; M1104-L1108 PolarHBondContact O-N 2.88Å; Q1105-L1108 PolarHBondContact O-N 3.21Å; L1108-L1111 PolarHBondContact O-N 2.94Å; L1108-W1112 WeakPolarHBondContact O-CB 3.42Å; L1108-W1112 PolarHBondContact O-N 3.31Å
1109Q83.2Confident83.5Confident132 Ų13275.8 Ų75.862%0.61738%0.384SS*.Hα-helixtrans-67.7-37.3178.5-172.8173.5100111.9Q1105 T1106 T1113Q1105-Q1109 VanDerWaalsContact O-CB 3.28Å; Q1105-Q1109 WeakPolarHBondContact O-CB 3.29Å; Q1105-Q1109 PolarHBondContact O-N 3.48Å; T1106-Q1109 PolarHBondContact O-N 2.97Å; Q1109-T1113 WeakPolarHBondContact O-CB 3.39Å; Q1109-T1113 PolarHBondContact O-N 3.44Å; Q1109-T1113 PolarHBondContact O-OG1 3.21Å
1110A89.8Confident83.4Confident60 Ų6077.6 Ų77.650%0.49639%0.388SS..Hα-helixtrans-63.6-43.7171.400000111.6T1106 E1107 T1113 E1114T1106-A1110 WeakPolarHBondContact O-CB 3.42Å; T1106-A1110 PolarHBondContact O-N 2.91Å; E1107-A1110 PolarHBondContact O-N 2.78Å; A1110-T1113 WeakPolarHBondContact O-CB 3.49Å; A1110-T1113 PolarHBondContact O-N 3.21Å; A1110-E1114 PolarHBondContact O-N 3.35Å
1111L88.2Confident83.7Confident27 Ų2782.2 Ų82.214%0.14141%0.408CS..Hα-helixtrans-68-36.6-179.9-162.3146.3000112.7Y1054 K1057 A1058 L1061 E1107 L1108 E1114 Q1115Y1054-L1111 HydrophobicContact CD1-CD2 4.03Å; K1057-L1111 HydrophobicContact CB-CD1 4.11Å; K1057-L1111 HydrophobicContact CB-CD2 4.23Å; K1057-L1111 HydrophobicContact CD-CD1 4.33Å; A1058-L1111 HydrophobicContact CB-CD2 4.34Å; L1061-L1111 HydrophobicContact CD2-CD1 4.08Å; E1107-L1111 VanDerWaalsContact O-CB 3.29Å; E1107-L1111 WeakPolarHBondContact O-CB 3.13Å; E1107-L1111 PolarHBondContact O-N 3.33Å; L1108-L1111 PolarHBondContact O-N 2.94Å; L1111-E1114 PolarHBondContact O-N 3.13Å; L1111-Q1115 WeakPolarHBondContact O-CB 3.35Å; L1111-Q1115 PolarHBondContact O-N 2.89Å
1112W80.6Confident83.7Confident165 Ų16580.9 Ų80.963%0.62540%0.402SS*.Hα-helixtrans-65.3-40170.5-177.375.8000112L1108 Q1115 C1116L1108-W1112 WeakPolarHBondContact O-CB 3.42Å; L1108-W1112 PolarHBondContact O-N 3.31Å; W1112-Q1115 WeakPolarHBondContact O-CB 3.48Å; W1112-Q1115 PolarHBondContact O-N 2.84Å; W1112-C1116 PolarHBondContact O-N 2.68Å; W1112-C1116 PolarHBondContact O-SG 3.12Å; W1112-C1116 VanDerWaalsContact O-SG 3.32Å
1113T83.1Confident83.4Confident67 Ų6783.9 Ų83.941%0.41141%0.412SS..Hα-helixtrans-64.5-43.7174.7-52.20000111.1Q1109 A1110 Q1115 C1116 D1117Q1109-T1113 WeakPolarHBondContact O-CB 3.39Å; Q1109-T1113 PolarHBondContact O-N 3.44Å; Q1109-T1113 PolarHBondContact O-OG1 3.21Å; A1110-T1113 WeakPolarHBondContact O-CB 3.49Å; A1110-T1113 PolarHBondContact O-N 3.21Å; T1113-Q1115 VanDerWaalsContact C-N 3.33Å; T1113-Q1115 PolarHBondContact O-N 2.84Å; T1113-C1116 PolarHBondContact O-N 3.15Å; T1113-D1117 PolarHBondContact O-N 3.01Å
1114E88.2Confident83Confident72 Ų7283.3 Ų83.334%0.33641%0.411SS..Hα-helixtrans-57.8-43.9173.4-162.8-147.5141.800111.4Y1054 K1057 A1110 L1111 Q1118Y1054-E1114 HydrophobicContact CE1-CB 4.33Å; Y1054-E1114 HydrophobicContact CE1-CG 4.23Å; Y1054-E1114 WeakPolarHBondContact CE1-OE1 3.49Å; Y1054-E1114 PolarHBondContact OH-OE1 2.85Å; K1057-E1114 VanDerWaalsContact NZ-CD 3.33Å; K1057-E1114 IonicContact NZ-OE1 3.15Å; K1057-E1114 PolarHBondContact NZ-OE1 3.05Å; K1057-E1114 IonicContact NZ-OE2 3.51Å; K1057-E1114 PolarHBondContact NZ-OE2 2.8Å; A1110-E1114 PolarHBondContact O-N 3.35Å; L1111-E1114 PolarHBondContact O-N 3.13Å; E1114-Q1118 WeakPolarHBondContact O-CB 3.38Å; E1114-Q1118 WeakPolarHBondContact O-CG 3.47Å; E1114-Q1118 PolarHBondContact O-N 3.36Å
1115Q87.5Confident82.4Confident48 Ų4887.7 Ų87.722%0.22443%0.431CS..Hα-helixtrans-61.5-48.4175.7-176.3-179.9-0.600111.2Y1054 L1111 W1112 T1113 D1117 Q1118 T1119Y1054-Q1115 HydrophobicContact CD1-CB 3.7Å; Y1054-Q1115 HydrophobicContact CD1-CG 4.16Å; Y1054-Q1115 HydrophobicContact CD2-CB 4.36Å; Y1054-Q1115 HydrophobicContact CD2-CG 4.07Å; Y1054-Q1115 HydrophobicContact CE1-CB 4.15Å; Y1054-Q1115 HydrophobicContact CG-CB 3.83Å; Y1054-Q1115 HydrophobicContact CG-CG 3.74Å; L1111-Q1115 WeakPolarHBondContact O-CB 3.35Å; L1111-Q1115 PolarHBondContact O-N 2.89Å; W1112-Q1115 WeakPolarHBondContact O-CB 3.48Å; W1112-Q1115 PolarHBondContact O-N 2.84Å; T1113-Q1115 VanDerWaalsContact C-N 3.33Å; T1113-Q1115 PolarHBondContact O-N 2.84Å; Q1115-D1117 PolarHBondContact O-N 2.86Å; Q1115-Q1118 PolarHBondContact O-N 2.78Å; Q1115-T1119 VanDerWaalsContact O-CB 3.31Å; Q1115-T1119 WeakPolarHBondContact O-CB 3.34Å; Q1115-T1119 PolarHBondContact O-N 3.37Å; Q1115-T1119 PolarHBondContact O-OG1 3.27Å
1116C77.8Confident82.3Confident54 Ų5483.9 Ų83.937%0.36542%0.416SS..Hα-helixtrans-59.2-46.2178.2-71.70000112.2W1112 T1113 T1119 K1120W1112-C1116 PolarHBondContact O-N 2.68Å; W1112-C1116 PolarHBondContact O-SG 3.12Å; W1112-C1116 VanDerWaalsContact O-SG 3.32Å; T1113-C1116 PolarHBondContact O-N 3.15Å; C1116-T1119 PolarHBondContact O-N 3.41Å; C1116-K1120 VanDerWaalsContact O-CB 3.31Å; C1116-K1120 WeakPolarHBondContact O-CB 3.21Å; C1116-K1120 PolarHBondContact O-N 2.94Å
1117D82.6Confident81.2Confident82 Ų8282 Ų8244%0.43941%0.41SS..Hα-helixtrans-67.6-40.1178.9-88.1-10.6000112.9T1113 Q1115 K1120 K1121T1113-D1117 PolarHBondContact O-N 3.01Å; Q1115-D1117 PolarHBondContact O-N 2.86Å; D1117-K1120 PolarHBondContact O-N 2.98Å; D1117-K1121 WeakPolarHBondContact O-CB 3.25Å; D1117-K1121 WeakPolarHBondContact O-CG 2.79Å; D1117-K1121 PolarHBondContact O-N 3.12Å
1118Q81.6Confident80.3Confident87 Ų8781.9 Ų81.941%0.40742%0.415SS..Hα-helixtrans-67.2-40.7173.7-73.6-138.919.200112Y1054 E1114 Q1115 K1120 K1122Y1054-Q1118 HydrophobicContact CE2-CB 4.37Å; Y1054-Q1118 WeakPolarHBondContact OH-CG 3.47Å; Y1054-Q1118 PolarHBondContact OH-NE2 3.16Å; Y1054-Q1118 PolarHBondContact OH-OE1 3.38Å; E1114-Q1118 WeakPolarHBondContact O-CB 3.38Å; E1114-Q1118 WeakPolarHBondContact O-CG 3.47Å; E1114-Q1118 PolarHBondContact O-N 3.36Å; Q1115-Q1118 PolarHBondContact O-N 2.78Å; Q1118-K1120 VanDerWaalsContact C-N 3.34Å; Q1118-K1122 WeakPolarHBondContact O-CB 3.37Å; Q1118-K1122 WeakPolarHBondContact O-CG 3.39Å; Q1118-K1122 PolarHBondContact O-N 2.93Å
1119T77.6Confident79.4Confident56 Ų5683 Ų8334%0.34442%0.418SS..Hα-helixtrans-64.4-38.7175.4-64.10000111.4Q1115 C1116 K1123Q1115-T1119 VanDerWaalsContact O-CB 3.31Å; Q1115-T1119 WeakPolarHBondContact O-CB 3.34Å; Q1115-T1119 PolarHBondContact O-N 3.37Å; Q1115-T1119 PolarHBondContact O-OG1 3.27Å; C1116-T1119 PolarHBondContact O-N 3.41Å; T1119-K1123 HydrophobicContact CG2-CD 4.17Å; T1119-K1123 WeakPolarHBondContact O-CB 3.48Å; T1119-K1123 VanDerWaalsContact O-CG 3.31Å; T1119-K1123 WeakPolarHBondContact O-CG 3.47Å; T1119-K1123 PolarHBondContact O-N 2.85Å
1120K77.6Confident78.3Confident119 Ų11977.9 Ų77.952%0.51740%0.399SS..Hα-helixtrans-63.3-54.9174.2179.9176.3171.5-176.50111.2C1116 D1117 Q1118 K1122 K1123 E1124C1116-K1120 VanDerWaalsContact O-CB 3.31Å; C1116-K1120 WeakPolarHBondContact O-CB 3.21Å; C1116-K1120 PolarHBondContact O-N 2.94Å; D1117-K1120 PolarHBondContact O-N 2.98Å; Q1118-K1120 VanDerWaalsContact C-N 3.34Å; K1120-K1122 VanDerWaalsContact C-N 3.3Å; K1120-K1122 PolarHBondContact O-N 3.34Å; K1120-K1123 PolarHBondContact O-N 3.01Å; K1120-E1124 WeakPolarHBondContact CE-OE1 3.41Å; K1120-E1124 WeakPolarHBondContact CG-OE1 3.39Å; K1120-E1124 WeakPolarHBondContact O-CG 3.4Å; K1120-E1124 PolarHBondContact O-N 2.96Å
1121K83.1Confident76.5Confident135 Ų13578.3 Ų78.359%0.58740%0.399SS*.Hα-helixtrans-56.8-40.9177.6-73.8169.2-179.4168.20112.5D1117 E1124 Q1125D1117-K1121 WeakPolarHBondContact O-CB 3.25Å; D1117-K1121 WeakPolarHBondContact O-CG 2.79Å; D1117-K1121 PolarHBondContact O-N 3.12Å; K1121-E1124 PolarHBondContact O-N 3.17Å; K1121-Q1125 WeakPolarHBondContact O-CB 3.5Å; K1121-Q1125 PolarHBondContact O-N 3.13Å
1122K77.9Confident74.9Confident66 Ų6683.7 Ų83.729%0.28742%0.423SS..Hα-helixtrans-65.3-40.4174.2-81.6-168.4167.5-1630113.1E1046 Q1118 K1120 Q1125 C1126E1046-K1122 PolarHBondContact O-NZ 2.99Å; Q1118-K1122 WeakPolarHBondContact O-CB 3.37Å; Q1118-K1122 WeakPolarHBondContact O-CG 3.39Å; Q1118-K1122 PolarHBondContact O-N 2.93Å; K1120-K1122 VanDerWaalsContact C-N 3.3Å; K1120-K1122 PolarHBondContact O-N 3.34Å; K1122-Q1125 PolarHBondContact O-N 3.49Å; K1122-C1126 WeakPolarHBondContact O-CB 3.15Å; K1122-C1126 PolarHBondContact O-N 3.24Å; K1122-C1126 PolarHBondContact O-SG 2.77Å
1123K76.1Confident73.6Confident124 Ų12483.2 Ų83.254%0.53942%0.421SS..Hα-helixtrans-65.8-41.3175.6-76.8173.9178.8178.80111.6M1047 T1119 K1120 C1126 A1127M1047-K1123 HydrophobicContact SD-CG 4.25Å; T1119-K1123 HydrophobicContact CG2-CD 4.17Å; T1119-K1123 WeakPolarHBondContact O-CB 3.48Å; T1119-K1123 VanDerWaalsContact O-CG 3.31Å; T1119-K1123 WeakPolarHBondContact O-CG 3.47Å; T1119-K1123 PolarHBondContact O-N 2.85Å; K1120-K1123 PolarHBondContact O-N 3.01Å; K1123-C1126 PolarHBondContact O-N 3.4Å; K1123-A1127 VanDerWaalsContact O-CB 3.28Å; K1123-A1127 WeakPolarHBondContact O-CB 3.26Å; K1123-A1127 PolarHBondContact O-N 3Å
1124E78.3Confident71.8Confident95 Ų9586.1 Ų86.144%0.44443%0.43SS..Hα-helixtrans-62.5-42.4173.8-70164.1170.100111.4K1120 K1121 A1127 T1128K1120-E1124 WeakPolarHBondContact CE-OE1 3.41Å; K1120-E1124 WeakPolarHBondContact CG-OE1 3.39Å; K1120-E1124 WeakPolarHBondContact O-CG 3.4Å; K1120-E1124 PolarHBondContact O-N 2.96Å; K1121-E1124 PolarHBondContact O-N 3.17Å; E1124-A1127 PolarHBondContact O-N 3Å; E1124-T1128 WeakPolarHBondContact O-CB 3.43Å; E1124-T1128 PolarHBondContact O-N 3.44Å; E1124-T1128 PolarHBondContact O-OG1 3.09Å
1125Q75.6Confident69.3Low130 Ų13090.8 Ų90.861%0.60745%0.449SS*.Hα-helixtrans-66-44.8175.2-171175.112.700112.6K1121 K1122 A1127 T1128 E1129K1121-Q1125 WeakPolarHBondContact O-CB 3.5Å; K1121-Q1125 PolarHBondContact O-N 3.13Å; K1122-Q1125 PolarHBondContact O-N 3.49Å; Q1125-A1127 VanDerWaalsContact C-N 3.35Å; Q1125-A1127 PolarHBondContact O-N 3.27Å; Q1125-T1128 PolarHBondContact O-N 3.33Å; Q1125-E1129 PolarHBondContact O-N 3.15Å
1126C77.3Confident67Low26 Ų2694.6 Ų94.618%0.17647%0.47CS..Hα-helixtrans-64.7-39176.7-660000111.7Q1043 K1122 K1123 T1128 A1130Q1043-C1126 HydrophobicContact CG-CB 4.39Å; K1122-C1126 WeakPolarHBondContact O-CB 3.15Å; K1122-C1126 PolarHBondContact O-N 3.24Å; K1122-C1126 PolarHBondContact O-SG 2.77Å; K1123-C1126 PolarHBondContact O-N 3.4Å; C1126-T1128 VanDerWaalsContact C-N 3.35Å; C1126-A1130 VanDerWaalsContact O-CB 3.25Å; C1126-A1130 WeakPolarHBondContact O-CB 3.5Å; C1126-A1130 PolarHBondContact O-N 3.15Å
1127A67.9Low65Low53 Ų5395.7 Ų95.744%0.43848%0.476SS..Hα-helixtrans-63.5-40.917300000111.4K1123 E1124 Q1125 A1130 S1131K1123-A1127 VanDerWaalsContact O-CB 3.28Å; K1123-A1127 WeakPolarHBondContact O-CB 3.26Å; K1123-A1127 PolarHBondContact O-N 3Å; E1124-A1127 PolarHBondContact O-N 3Å; Q1125-A1127 VanDerWaalsContact C-N 3.35Å; Q1125-A1127 PolarHBondContact O-N 3.27Å; A1127-A1130 PolarHBondContact O-N 3.25Å; A1127-S1131 WeakPolarHBondContact O-CB 3.4Å; A1127-S1131 PolarHBondContact O-N 3.21Å; A1127-S1131 PolarHBondContact O-OG 3.46Å
1128T68.6Low62.9Low77 Ų7796.3 Ų96.347%0.47249%0.487SS..Hα-helixtrans-65.2-46.1176.7-55.10000111.8E1124 Q1125 C1126 A1130 S1131 Q1132E1124-T1128 WeakPolarHBondContact O-CB 3.43Å; E1124-T1128 PolarHBondContact O-N 3.44Å; E1124-T1128 PolarHBondContact O-OG1 3.09Å; Q1125-T1128 PolarHBondContact O-N 3.33Å; C1126-T1128 VanDerWaalsContact C-N 3.35Å; T1128-A1130 VanDerWaalsContact C-N 3.33Å; T1128-A1130 PolarHBondContact O-N 3.03Å; T1128-S1131 PolarHBondContact O-N 3.41Å; T1128-Q1132 WeakPolarHBondContact O-CB 3.36Å; T1128-Q1132 WeakPolarHBondContact O-CG 3.46Å; T1128-Q1132 PolarHBondContact O-N 3.42Å
1129E64.7Low60.8Low67 Ų6795.4 Ų95.431%0.31349%0.49SS..Hα-helixtrans-60.6-40.5173.2-77.6-160.8121.100112.4Q1043 Q1125 R1133Q1043-E1129 PolarHBondContact NE2-OE2 3.29Å; Q1125-E1129 PolarHBondContact O-N 3.15Å; E1129-R1133 PolarHBondContact O-N 2.93Å; E1129-R1133 VanDerWaalsContact O-N 3.1Å; E1129-R1133 IonicContact OE1-NH1 2.8Å
1130A59.3Low58.9Low26 Ų2695.3 Ų95.322%0.21550%0.495CS..Hα-helixtrans-64.8-46.2177.900000110.9C1126 A1127 T1128 R1133 Q1134C1126-A1130 VanDerWaalsContact O-CB 3.25Å; C1126-A1130 WeakPolarHBondContact O-CB 3.5Å; C1126-A1130 PolarHBondContact O-N 3.15Å; A1127-A1130 PolarHBondContact O-N 3.25Å; T1128-A1130 VanDerWaalsContact C-N 3.33Å; T1128-A1130 PolarHBondContact O-N 3.03Å; A1130-R1133 CarbonylContact O-C 3.52Å; A1130-R1133 PolarHBondContact O-N 3.34Å; A1130-Q1134 WeakPolarHBondContact O-CB 3.2Å; A1130-Q1134 PolarHBondContact O-N 3.14Å
1131S53.6Low57.1Low69 Ų6998.1 Ų98.148%0.48351%0.507SS..Hα-helixtrans-63.9-43176.4-62.60000112.6A1127 T1128 R1133 Q1134A1127-S1131 WeakPolarHBondContact O-CB 3.4Å; A1127-S1131 PolarHBondContact O-N 3.21Å; A1127-S1131 PolarHBondContact O-OG 3.46Å; T1128-S1131 PolarHBondContact O-N 3.41Å; S1131-R1133 VanDerWaalsContact C-N 3.25Å; S1131-R1133 PolarHBondContact O-N 3.34Å; S1131-Q1134 PolarHBondContact O-N 3.43Å
1132Q53.3Low54.9Low139 Ų13994.4 Ų94.465%0.6550%0.502SS*.Hα-helixtrans-60.5-34175-76.9179-11.800112.4T1128T1128-Q1132 WeakPolarHBondContact O-CB 3.36Å; T1128-Q1132 WeakPolarHBondContact O-CG 3.46Å; T1128-Q1132 PolarHBondContact O-N 3.42Å
1133R54.6Low53Low156 Ų15695.1 Ų95.159%0.58951%0.512SS*.THydrogen-bonded Turntrans-91.3-0.6174.9-68.9-174.7174.3123.34114.5E1129 A1130 S1131E1129-R1133 PolarHBondContact O-N 2.93Å; E1129-R1133 VanDerWaalsContact O-N 3.1Å; E1129-R1133 IonicContact OE1-NH1 2.8Å; A1130-R1133 CarbonylContact O-C 3.52Å; A1130-R1133 PolarHBondContact O-N 3.34Å; S1131-R1133 VanDerWaalsContact C-N 3.25Å; S1131-R1133 PolarHBondContact O-N 3.34Å
1134Q45.6Very low51.2Low127 Ų12795.4 Ų95.459%0.59352%0.517SS*.THydrogen-bonded Turntrans-91.31.3171.9-111.5179.4-1800113.4A1130 S1131 I1136A1130-Q1134 WeakPolarHBondContact O-CB 3.2Å; A1130-Q1134 PolarHBondContact O-N 3.14Å; S1131-Q1134 PolarHBondContact O-N 3.43Å; Q1134-I1136 PolarHBondContact O-N 3.48Å
1135F35.3Very low49.3Very low171 Ų17199.1 Ų99.175%0.7553%0.528SS*.  trans-69.764.9168.6-95.8-90.1000112.4
1136I38.3Very low47.4Very low127 Ų127100.4 Ų100.465%0.65153%0.532SS*.  trans-67.5120.4144.4-60.4175.3000104.9Q1134 A1140Q1134-I1136 PolarHBondContact O-N 3.48Å; I1136-A1140 HydrophobicContact CG2-CB 4.47Å
1137P35.9Very low45.8Very low78 Ų78103.7 Ų103.751%0.50655%0.546SS..  trans-64.4142.9-168.524.5-34.2000111.9S1139 A1140P1137-S1139 PolarHBondContact O-N 3.41Å; P1137-A1140 PolarHBondContact O-N 3.47Å
1138S39.3Very low44.5Very low94 Ų94105.1 Ų105.166%0.65755%0.546SS*.THydrogen-bonded Turntrans-58.3-14-178.9-55.30000114.2A1140 K1141 A1142S1138-A1140 PolarHBondContact O-N 2.86Å; S1138-K1141 PolarHBondContact O-N 3.38Å; S1138-A1142 PolarHBondContact O-N 3.38Å
1139S37.5Very low43.2Very low68 Ų68104.7 Ų104.748%0.47654%0.543SS..Hα-helixtrans-54.6-35.3169.353.20000113P1137 K1141 A1142 V1143P1137-S1139 PolarHBondContact O-N 3.41Å; S1139-K1141 PolarHBondContact O-N 3Å; S1139-A1142 PolarHBondContact O-N 3.49Å; S1139-V1143 WeakPolarHBondContact O-CB 3.31Å; S1139-V1143 VanDerWaalsContact O-CG2 3.3Å; S1139-V1143 WeakPolarHBondContact O-CG2 3.48Å; S1139-V1143 PolarHBondContact O-N 3.32Å
1140A36.6Very low41.9Very low55 Ų55110.1 Ų110.146%0.45556%0.562SS.*Hα-helixtrans-63.7-40.8178.900000112.2I1136 P1137 S1138 M1144I1136-A1140 HydrophobicContact CG2-CB 4.47Å; P1137-A1140 PolarHBondContact O-N 3.47Å; S1138-A1140 PolarHBondContact O-N 2.86Å; A1140-M1144 WeakPolarHBondContact O-CB 3.45Å; A1140-M1144 PolarHBondContact O-N 2.88Å; A1140-M1144 VanDerWaalsContact O-N 3.07Å
1141K39.6Very low40.9Very low177 Ų177118.3 Ų118.377%0.7759%0.589SS**Hα-helixtrans-72.2-39173.7-75.5-174176-1790111.9S1138 S1139 M1144 Y1145S1138-K1141 PolarHBondContact O-N 3.38Å; S1139-K1141 PolarHBondContact O-N 3Å; K1141-M1144 PolarHBondContact O-N 3.37Å; K1141-Y1145 WeakPolarHBondContact O-CB 3.38Å; K1141-Y1145 PolarHBondContact O-N 3.48Å
1142A38.7Very low40.3Very low57 Ų57121.1 Ų121.147%0.47160%0.598SS.*Hα-helixtrans-61.7-46.7176.500000111.8S1138 S1139 Y1145 F1146S1138-A1142 PolarHBondContact O-N 3.38Å; S1139-A1142 PolarHBondContact O-N 3.49Å; A1142-Y1145 PolarHBondContact O-N 2.91Å; A1142-F1146 WeakPolarHBondContact O-CB 3.38Å; A1142-F1146 PolarHBondContact O-N 2.81Å
1143V37.6Very low39.7Very low81 Ų81122.6 Ų122.649%0.49160%0.602SS.*Hα-helixtrans-64.7-40.8176.41700000111.4S1139 Y1145 F1146 I1147S1139-V1143 WeakPolarHBondContact O-CB 3.31Å; S1139-V1143 VanDerWaalsContact O-CG2 3.3Å; S1139-V1143 WeakPolarHBondContact O-CG2 3.48Å; S1139-V1143 PolarHBondContact O-N 3.32Å; V1143-Y1145 VanDerWaalsContact C-N 3.34Å; V1143-Y1145 PolarHBondContact O-N 2.99Å; V1143-F1146 PolarHBondContact O-N 3.2Å; V1143-I1147 HydrophobicContact CG1-CD1 3.76Å; V1143-I1147 HydrophobicContact CG1-CG1 4.35Å; V1143-I1147 WeakPolarHBondContact O-CB 3.36Å; V1143-I1147 VanDerWaalsContact O-CG1 3.31Å; V1143-I1147 WeakPolarHBondContact O-CG1 3.47Å; V1143-I1147 PolarHBondContact O-N 2.8Å
1144M37.8Very low38.9Very low130 Ų130117.9 Ų117.964%0.6460%0.602SS**Hα-helixtrans-64.4-39.2175.4-162.3173.4-166.200111.7A1140 K1141 I1148A1140-M1144 WeakPolarHBondContact O-CB 3.45Å; A1140-M1144 PolarHBondContact O-N 2.88Å; A1140-M1144 VanDerWaalsContact O-N 3.07Å; K1141-M1144 PolarHBondContact O-N 3.37Å; M1144-I1148 HydrophobicContact CG-CD1 4.18Å; M1144-I1148 WeakPolarHBondContact O-CB 3.38Å; M1144-I1148 WeakPolarHBondContact O-CD1 3.31Å; M1144-I1148 WeakPolarHBondContact O-CG1 3.21Å; M1144-I1148 PolarHBondContact O-N 3.28Å
1145Y38.7Very low38.9Very low173 Ų173118.2 Ų118.268%0.67861%0.613SS**Hα-helixtrans-65.3-39.8172-132-91.1000111.9K1141 A1142 V1143 I1148 V1149K1141-Y1145 WeakPolarHBondContact O-CB 3.38Å; K1141-Y1145 PolarHBondContact O-N 3.48Å; A1142-Y1145 PolarHBondContact O-N 2.91Å; V1143-Y1145 VanDerWaalsContact C-N 3.34Å; V1143-Y1145 PolarHBondContact O-N 2.99Å; Y1145-I1148 PolarHBondContact O-N 3.4Å; Y1145-V1149 HydrophobicContact CD1-CG2 4.21Å; Y1145-V1149 WeakPolarHBondContact O-CB 3.43Å; Y1145-V1149 VanDerWaalsContact O-CG2 3.31Å; Y1145-V1149 WeakPolarHBondContact O-CG2 3.3Å; Y1145-V1149 PolarHBondContact O-N 3.07Å
1146F36.3Very low39.4Very low157 Ų157118.9 Ų118.969%0.68962%0.618SS**Hα-helixtrans-64.2-45.3177.9-136.1-91.9000111.3A1142 V1143 V1149 Y1150A1142-F1146 WeakPolarHBondContact O-CB 3.38Å; A1142-F1146 PolarHBondContact O-N 2.81Å; V1143-F1146 PolarHBondContact O-N 3.2Å; F1146-V1149 PolarHBondContact O-N 3.35Å; F1146-Y1150 VanDerWaalsContact O-CB 3.28Å; F1146-Y1150 WeakPolarHBondContact O-CB 3.36Å; F1146-Y1150 PolarHBondContact O-N 3.34Å
1147I41.8Very low39.4Very low95 Ų95119.1 Ų119.149%0.48762%0.621SS.*Hα-helixtrans-63-43.2175.5-68.6167.3000110.6V1143 Y1150 Y1151V1143-I1147 HydrophobicContact CG1-CD1 3.76Å; V1143-I1147 HydrophobicContact CG1-CG1 4.35Å; V1143-I1147 WeakPolarHBondContact O-CB 3.36Å; V1143-I1147 VanDerWaalsContact O-CG1 3.31Å; V1143-I1147 WeakPolarHBondContact O-CG1 3.47Å; V1143-I1147 PolarHBondContact O-N 2.8Å; I1147-Y1150 PolarHBondContact O-N 3.46Å; I1147-Y1151 HydrophobicContact CG2-CD2 4.05Å; I1147-Y1151 HydrophobicContact CG2-CE2 4.4Å; I1147-Y1151 WeakPolarHBondContact O-CB 3.28Å; I1147-Y1151 PolarHBondContact O-N 3.18Å
1148I42.2Very low39.7Very low83 Ų83124.1 Ų124.143%0.42664%0.638SS.*Hα-helixtrans-62.1-43.5176.4-73.2166.2000111.1M1144 Y1145 Y1151 L1152M1144-I1148 HydrophobicContact CG-CD1 4.18Å; M1144-I1148 WeakPolarHBondContact O-CB 3.38Å; M1144-I1148 WeakPolarHBondContact O-CD1 3.31Å; M1144-I1148 WeakPolarHBondContact O-CG1 3.21Å; M1144-I1148 PolarHBondContact O-N 3.28Å; Y1145-I1148 PolarHBondContact O-N 3.4Å; I1148-Y1151 PolarHBondContact O-N 2.88Å; I1148-L1152 HydrophobicContact CG2-CD1 3.67Å; I1148-L1152 HydrophobicContact CG2-CG 4.42Å; I1148-L1152 VanDerWaalsContact O-CB 3.31Å; I1148-L1152 WeakPolarHBondContact O-CB 3.31Å; I1148-L1152 WeakPolarHBondContact O-CG 3.5Å; I1148-L1152 PolarHBondContact O-N 3.42Å
1149V40.7Very low39.9Very low69 Ų69128.2 Ų128.242%0.41864%0.643SS.*Hα-helixtrans-66.6-40.1175.8170.40000111.6Y1145 F1146 Y1151 L1152 F1153Y1145-V1149 HydrophobicContact CD1-CG2 4.21Å; Y1145-V1149 WeakPolarHBondContact O-CB 3.43Å; Y1145-V1149 VanDerWaalsContact O-CG2 3.31Å; Y1145-V1149 WeakPolarHBondContact O-CG2 3.3Å; Y1145-V1149 PolarHBondContact O-N 3.07Å; F1146-V1149 PolarHBondContact O-N 3.35Å; V1149-Y1151 VanDerWaalsContact C-N 3.34Å; V1149-Y1151 PolarHBondContact O-N 3.42Å; V1149-L1152 PolarHBondContact O-N 3.34Å; V1149-F1153 HydrophobicContact CG1-CD2 4.36Å; V1149-F1153 PolarHBondContact O-N 3.2Å; V1149-F1153 VanDerWaalsContact O-N 3.1Å
1150Y36.8Very low40.1Very low180 Ų180128.4 Ų128.471%0.70665%0.649SS**Hα-helixtrans-68.2-30.8179.1-151.2-90.5000112.8F1146 I1147F1146-Y1150 VanDerWaalsContact O-CB 3.28Å; F1146-Y1150 WeakPolarHBondContact O-CB 3.36Å; F1146-Y1150 PolarHBondContact O-N 3.34Å; I1147-Y1150 PolarHBondContact O-N 3.46Å
1151Y39.8Very low40.3Very low198 Ų198132.5 Ų132.578%0.77666%0.661SS**Hα-helixtrans-82.4-27.5172.5-94.5-94.6000113.8I1147 I1148 V1149I1147-Y1151 HydrophobicContact CG2-CD2 4.05Å; I1147-Y1151 HydrophobicContact CG2-CE2 4.4Å; I1147-Y1151 WeakPolarHBondContact O-CB 3.28Å; I1147-Y1151 PolarHBondContact O-N 3.18Å; I1148-Y1151 PolarHBondContact O-N 2.88Å; V1149-Y1151 VanDerWaalsContact C-N 3.34Å; V1149-Y1151 PolarHBondContact O-N 3.42Å
1152L39.2Very low40.4Very low128 Ų128132.1 Ų132.167%0.6766%0.656SS**Hα-helixtrans-80.7-19.3177.5-74.8171.6000113.8I1148 V1149I1148-L1152 HydrophobicContact CG2-CD1 3.67Å; I1148-L1152 HydrophobicContact CG2-CG 4.42Å; I1148-L1152 VanDerWaalsContact O-CB 3.31Å; I1148-L1152 WeakPolarHBondContact O-CB 3.31Å; I1148-L1152 WeakPolarHBondContact O-CG 3.5Å; I1148-L1152 PolarHBondContact O-N 3.42Å; V1149-L1152 PolarHBondContact O-N 3.34Å
1153F42.3Very low40.5Very low171 Ų171134.9 Ų134.975%0.7566%0.663SS**THydrogen-bonded Turntrans-119.352.2178.2-72.3-81000112.5V1149 T1155V1149-F1153 HydrophobicContact CG1-CD2 4.36Å; V1149-F1153 PolarHBondContact O-N 3.2Å; V1149-F1153 VanDerWaalsContact O-N 3.1Å; F1153-T1155 PolarHBondContact O-N 3.28Å
1154G36.5Very low40.9Very low56 Ų56139 Ų13958%0.57767%0.67SS**  trans-66.4112.9170.400000112.4
1155T46.3Very low41.1Very low134 Ų134138.3 Ų138.382%0.82266%0.664SS**SBendtrans47.690.3156.9570000118.3F1153F1153-T1155 PolarHBondContact O-N 3.28Å
1156E45.8Very low41.3Very low186 Ų186136.8 Ų136.887%0.86967%0.665SS**  178.9100.3125.8-101.6178.8-159.300112.3
1157N38.9Very low41.6Very low132 Ų132137.2 Ų137.271%0.70667%0.669SS**  trans144.197.1151.5-87.8-79.8000113.4K1159 A1160N1157-K1159 PolarHBondContact O-N 3.22Å; N1157-A1160 PolarHBondContact O-N 3.03Å
1158E41.4Very low41.9Very low183 Ų183135.3 Ų135.386%0.85566%0.66SS**THydrogen-bonded Turntrans-64.1-23.3176.9-65.6-179.2119.700114A1160 M1161E1158-A1160 VanDerWaalsContact C-N 3.28Å; E1158-A1160 PolarHBondContact O-N 3.02Å; E1158-M1161 PolarHBondContact O-N 3.27Å
1159K43.6Very low41.9Very low179 Ų179135.8 Ų135.878%0.77866%0.664SS**Hα-helixtrans-69.1-18.2-177.3-77.4-177175.6176.20114.9N1157N1157-K1159 PolarHBondContact O-N 3.22Å
1160A41.5Very low41.9Very low73 Ų73139.2 Ų139.260%0.60368%0.68SS**Hα-helixtrans-74.1-32.5176.400000112.4N1157 E1158N1157-A1160 PolarHBondContact O-N 3.03Å; E1158-A1160 VanDerWaalsContact C-N 3.28Å; E1158-A1160 PolarHBondContact O-N 3.02Å
1161M40.2Very low42.2Very low140 Ų140137.5 Ų137.569%0.6968%0.676SS**Hα-helixtrans-72.6-37-171.5-156168.375.600112.5E1158 N1163 W1164 E1165E1158-M1161 PolarHBondContact O-N 3.27Å; M1161-N1163 PolarHBondContact O-N 3.11Å; M1161-W1164 PolarHBondContact O-N 3.32Å; M1161-E1165 PolarHBondContact O-N 2.96Å
1162Y42.2Very low42.4Very low169 Ų169133.2 Ų133.266%0.66367%0.665SS**Hα-helixtrans-68.9-28.8-175.5-150.2-99.6000114
1163N41.4Very low42.5Very low116 Ų116131.8 Ų131.862%0.6266%0.658SS**Hα-helixtrans-77.5-28.9175-75.6-2.2000112.1M1161 M1166M1161-N1163 PolarHBondContact O-N 3.11Å; N1163-M1166 PolarHBondContact O-N 2.9Å
1164W45.9Very low42.5Very low168 Ų168130.1 Ų130.164%0.63665%0.653SS**Hα-helixtrans-71.3-31.4-178.8-172.583.9000113.1M1161 N1168M1161-W1164 PolarHBondContact O-N 3.32Å; W1164-N1168 PolarHBondContact NE1-ND2 3.31Å; W1164-N1168 PolarHBondContact O-ND2 3.48Å
1165E41.3Very low42.5Very low114 Ų114134.5 Ų134.553%0.53366%0.656SS.*Hα-helixtrans-68-33.2174.5-70.1-169.112000113M1161M1161-E1165 PolarHBondContact O-N 2.96Å
1166M43.2Very low42.1Very low142 Ų142131.6 Ų131.670%0.764%0.641SS**Hα-helixtrans-65.6-43.5179.2-82-76.7-144.300112.6N1163N1163-M1166 PolarHBondContact O-N 2.9Å
1167E42Very low41.8Very low165 Ų165128.8 Ų128.877%0.77163%0.628SS**Hα-helixtrans-79.9-26.7-172.4-64.3-171.4143.100113.7
1168N48.5Very low41.8Very low56 Ų56130.4 Ų130.430%0.29963%0.629SS.*THydrogen-bonded Turntrans-9813.2-172.7-76.1-66.4000115.5W1164 N1170 F1171W1164-N1168 PolarHBondContact NE1-ND2 3.31Å; W1164-N1168 PolarHBondContact O-ND2 3.48Å; N1168-N1170 PolarHBondContact O-N 3.31Å; N1168-F1171 WeakPolarHBondContact O-CB 3.32Å; N1168-F1171 PolarHBondContact O-N 3.34Å
1169N41.6Very low41.5Very low93 Ų93131.5 Ų131.550%0.49763%0.626SS.*Hα-helixtrans-60.7-23.4-172.3-139.1-29.3000114.4N1173N1169-N1173 PolarHBondContact O-ND2 2.87Å
1170N42.3Very low41.2Very low140 Ų140129.8 Ų129.875%0.74962%0.621SS**Hα-helixtrans-72.9-29.7172.2-76.7-36.2000113.6N1168 H1174N1168-N1170 PolarHBondContact O-N 3.31Å; N1170-H1174 PolarHBondContact O-N 2.84Å
1171F42.1Very low41Very low145 Ų145132.8 Ų132.864%0.63663%0.625SS**Hα-helixtrans-71.9-37.5-176.4-153.6-93000111.7N1168 F1175N1168-F1171 WeakPolarHBondContact O-CB 3.32Å; N1168-F1171 PolarHBondContact O-N 3.34Å; F1171-F1175 PolarHBondContact O-N 2.85Å
1172I44.1Very low40.7Very low107 Ų107130 Ų13055%0.54962%0.62SS.*Hα-helixtrans-67.2-43.2177.8-61.4175.3000111H1174 F1175 S1176I1172-H1174 VanDerWaalsContact C-N 3.35Å; I1172-H1174 PolarHBondContact O-N 3.08Å; I1172-F1175 WeakPolarHBondContact O-CB 3.48Å; I1172-F1175 PolarHBondContact O-N 3.04Å; I1172-S1176 PolarHBondContact O-N 3.4Å
1173N40.6Very low40.6Very low98 Ų98127.2 Ų127.252%0.52462%0.621SS.*Hα-helixtrans-62.8-38.6179.1-81.6-70.7000112.8N1169 F1175 S1176 Q1177N1169-N1173 PolarHBondContact O-ND2 2.87Å; N1173-F1175 VanDerWaalsContact C-N 3.33Å; N1173-F1175 PolarHBondContact O-N 3.16Å; N1173-S1176 PolarHBondContact O-N 3.36Å; N1173-Q1177 PolarHBondContact O-N 3.06Å
1174H42.9Very low40.5Very low136 Ų136127.6 Ų127.663%0.6363%0.627SS**Hα-helixtrans-66-34175.6-115.8-53.1000113.1N1170 I1172 F1178N1170-H1174 PolarHBondContact O-N 2.84Å; I1172-H1174 VanDerWaalsContact C-N 3.35Å; I1172-H1174 PolarHBondContact O-N 3.08Å; H1174-F1178 PolarHBondContact O-N 3.33Å
1175F37.5Very low40.2Very low149 Ų149125.2 Ų125.265%0.65464%0.635SS**Hα-helixtrans-66.8-37.4176.2-125.3-93000112.4F1171 I1172 N1173 F1178 W1179F1171-F1175 PolarHBondContact O-N 2.85Å; I1172-F1175 WeakPolarHBondContact O-CB 3.48Å; I1172-F1175 PolarHBondContact O-N 3.04Å; N1173-F1175 VanDerWaalsContact C-N 3.33Å; N1173-F1175 PolarHBondContact O-N 3.16Å; F1175-F1178 PolarHBondContact O-N 3.21Å; F1175-W1179 PolarHBondContact O-N 3.49Å; F1175-W1179 VanDerWaalsContact O-N 3.14Å
1176S37Very low39.9Very low72 Ų72129 Ų12950%0.50367%0.672SS.*Hα-helixtrans-62.4-45.6178.2-171.10000112.6I1172 N1173 F1178 W1179 Q1180I1172-S1176 PolarHBondContact O-N 3.4Å; N1173-S1176 PolarHBondContact O-N 3.36Å; S1176-F1178 VanDerWaalsContact C-N 3.33Å; S1176-F1178 PolarHBondContact O-N 3.4Å; S1176-W1179 PolarHBondContact O-N 3.4Å; S1176-Q1180 PolarHBondContact O-N 3.1Å
1177Q38.8Very low39.8Very low128 Ų128128.4 Ų128.460%0.59867%0.671SS**Hα-helixtrans-63.1-38.2176.3-71.1-172.7-11.500112.6N1173 W1179 Q1180 L1181N1173-Q1177 PolarHBondContact O-N 3.06Å; Q1177-W1179 VanDerWaalsContact C-N 3.27Å; Q1177-W1179 PolarHBondContact O-N 3.25Å; Q1177-Q1180 PolarHBondContact O-N 2.92Å; Q1177-L1181 PolarHBondContact O-N 3.47Å
1178F39Very low39.6Very low165 Ų165126.4 Ų126.472%0.72467%0.665SS**Hα-helixtrans-67.1-30178.1-139.4-86.2000112.3H1174 F1175 S1176H1174-F1178 PolarHBondContact O-N 3.33Å; F1175-F1178 PolarHBondContact O-N 3.21Å; S1176-F1178 VanDerWaalsContact C-N 3.33Å; S1176-F1178 PolarHBondContact O-N 3.4Å
1179W36.4Very low39.2Very low206 Ų206130.3 Ų130.378%0.7869%0.686SS**Hα-helixtrans-72.9-39.7178.2-149.363000112.6F1175 S1176 Q1177 L1181 S1182 T1183F1175-W1179 PolarHBondContact O-N 3.49Å; F1175-W1179 VanDerWaalsContact O-N 3.14Å; S1176-W1179 PolarHBondContact O-N 3.4Å; Q1177-W1179 VanDerWaalsContact C-N 3.27Å; Q1177-W1179 PolarHBondContact O-N 3.25Å; W1179-L1181 PolarHBondContact O-N 3.47Å; W1179-S1182 PolarHBondContact O-N 3.21Å; W1179-T1183 PolarHBondContact O-OG1 3.32Å
1180Q35.9Very low39Very low144 Ų144132.5 Ų132.567%0.67370%0.697SS**Hα-helixtrans-66.2-33.8177.2-78.1-169.2-3000113.8S1176 Q1177 S1182S1176-Q1180 PolarHBondContact O-N 3.1Å; Q1177-Q1180 PolarHBondContact O-N 2.92Å; Q1180-S1182 VanDerWaalsContact C-N 3.33Å; Q1180-S1182 PolarHBondContact O-N 3.28Å
1181L37.9Very low38.8Very low135 Ų135132.1 Ų132.171%0.70769%0.693SS**Hα-helixtrans-71.8-24.5179.3-81.4163.2000113.6Q1177 W1179Q1177-L1181 PolarHBondContact O-N 3.47Å; W1179-L1181 PolarHBondContact O-N 3.47Å
1182S33.8Very low38.6Very low82 Ų82131.2 Ų131.257%0.57370%0.697SS**Hα-helixtrans-79.2-17.5-177.7-167.90000114W1179 Q1180W1179-S1182 PolarHBondContact O-N 3.21Å; Q1180-S1182 VanDerWaalsContact C-N 3.33Å; Q1180-S1182 PolarHBondContact O-N 3.28Å
1183T39.5Very low38.2Very low111 Ų111132.9 Ų132.968%0.68171%0.708SS**THydrogen-bonded Turntrans-90.7-3.8-173.5-19.90000113.8W1179W1179-T1183 PolarHBondContact O-OG1 3.32Å
1184T40.9Very low38Very low124 Ų124135.6 Ų135.676%0.76172%0.722SS**THydrogen-bonded Turntrans-108.810.7-177.1-27.30000113.2
1185C39Very low37.6Very low117 Ų117135.6 Ų135.679%0.79173%0.73SS**  trans-141.848.8-177.4-144.20000113.3
1186C35.5Very low37.6Very low194 Ų194134.4 Ų134.4100%1.31174%0.737SS**  trans-139.30165.8-80.90000108.8

Retrieved 1,186 of 1,186 residues in 406.7 ms (Link to these results)

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