A0A5K4EZX1_SCHMA Loading...

Methyltransf_11 domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4EZX1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 147 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
1M62.3Low86.1Confident217 Ų217112.2 Ų112.2100%1.06960%0.602SS**  0-45.40-91.4-85.3-121.600113.3F5M1-F5 PolarHBondContact O-N 2.79Å
2S82.2Confident86.6Confident97 Ų97111.8 Ų111.868%0.67860%0.598SS**Hα-helixtrans-68.3-38.7-173.873.50000115.4F5 A6S2-F5 PolarHBondContact O-N 3.43Å; S2-A6 WeakPolarHBondContact O-CB 3.43Å; S2-A6 PolarHBondContact O-N 3.03Å
3I83.9Confident87Confident127 Ų127111.4 Ų111.465%0.65159%0.59SS**Hα-helixtrans-65.9-45.3-178.2-61.6170.5000111.3F5 A6 I7I3-F5 VanDerWaalsContact C-N 3.31Å; I3-F5 PolarHBondContact O-N 2.74Å; I3-A6 PolarHBondContact O-N 3.28Å; I3-I7 HydrophobicContact CG2-CD1 3.86Å; I3-I7 HydrophobicContact CG2-CG1 4.46Å; I3-I7 VanDerWaalsContact O-CG1 3.31Å; I3-I7 WeakPolarHBondContact O-CG1 3.47Å; I3-I7 PolarHBondContact O-N 2.82Å
4L81.5Confident87.5Confident116 Ų116112 Ų11261%0.60759%0.588SS**Hα-helixtrans-62.4-41.9177.9-174.267000111.1I7 L8L4-I7 PolarHBondContact O-N 2.94Å; L4-L8 HydrophobicContact CG-CD1 4.13Å; L4-L8 WeakPolarHBondContact O-CB 3.5Å; L4-L8 WeakPolarHBondContact O-CG 3.3Å; L4-L8 PolarHBondContact O-N 3.18Å
5F87.7Confident87.8Confident155 Ų155110.7 Ų110.768%0.6858%0.578SS**Hα-helixtrans-62.8-43.1176-164.7-93.3000111.7M1 S2 I3 I7 L8 A9M1-F5 PolarHBondContact O-N 2.79Å; S2-F5 PolarHBondContact O-N 3.43Å; I3-F5 VanDerWaalsContact C-N 3.31Å; I3-F5 PolarHBondContact O-N 2.74Å; F5-I7 PolarHBondContact O-N 3.09Å; F5-L8 PolarHBondContact O-N 3.39Å; F5-A9 WeakPolarHBondContact O-CB 3.3Å; F5-A9 PolarHBondContact O-N 3.3Å
6A89.1Confident88Confident59 Ų59107.4 Ų107.449%0.48856%0.56SS.*Hα-helixtrans-62.8-41.7176.400000112.5S2 I3 A9 N10S2-A6 WeakPolarHBondContact O-CB 3.43Å; S2-A6 PolarHBondContact O-N 3.03Å; I3-A6 PolarHBondContact O-N 3.28Å; A6-A9 PolarHBondContact O-N 3.09Å; A6-N10 WeakPolarHBondContact O-CB 3.34Å; A6-N10 PolarHBondContact O-N 3.27Å
7I90.7Very high88.1Confident84 Ų84106.1 Ų106.143%0.43155%0.552SS.*Hα-helixtrans-63.6-45.4176.6-68.1166.5000110.7I3 L4 F5 N10 K11I3-I7 HydrophobicContact CG2-CD1 3.86Å; I3-I7 HydrophobicContact CG2-CG1 4.46Å; I3-I7 VanDerWaalsContact O-CG1 3.31Å; I3-I7 WeakPolarHBondContact O-CG1 3.47Å; I3-I7 PolarHBondContact O-N 2.82Å; L4-I7 PolarHBondContact O-N 2.94Å; F5-I7 PolarHBondContact O-N 3.09Å; I7-N10 PolarHBondContact O-N 3.29Å; I7-K11 PolarHBondContact O-N 3.18Å
8L91.1Very high88.3Confident103 Ų103106.4 Ų106.454%0.53955%0.551SS.*Hα-helixtrans-62.2-45.4177.5-75.3164.8000111.4L4 F5 N10 K11 L12L4-L8 HydrophobicContact CG-CD1 4.13Å; L4-L8 WeakPolarHBondContact O-CB 3.5Å; L4-L8 WeakPolarHBondContact O-CG 3.3Å; L4-L8 PolarHBondContact O-N 3.18Å; F5-L8 PolarHBondContact O-N 3.39Å; L8-N10 VanDerWaalsContact C-N 3.34Å; L8-N10 PolarHBondContact O-N 3.07Å; L8-K11 PolarHBondContact O-N 3.43Å; L8-L12 WeakPolarHBondContact O-CB 3.23Å; L8-L12 PolarHBondContact O-N 2.94Å
9A92.2Very high88.4Confident48 Ų48103.4 Ų103.440%0.39753%0.534SS..Hα-helixtrans-60.5-42.517700000111.9F5 A6 L12 H13F5-A9 WeakPolarHBondContact O-CB 3.3Å; F5-A9 PolarHBondContact O-N 3.3Å; A6-A9 PolarHBondContact O-N 3.09Å; A9-L12 PolarHBondContact O-N 2.97Å; A9-H13 WeakPolarHBondContact O-CB 3.29Å; A9-H13 PolarHBondContact O-N 3.28Å
10N92.9Very high88.4Confident86 Ų86101.1 Ų101.146%0.4652%0.52SS..Hα-helixtrans-66.3-43178.2-16828.4000112.2A6 I7 L8 L12 H13 Q14A6-N10 WeakPolarHBondContact O-CB 3.34Å; A6-N10 PolarHBondContact O-N 3.27Å; I7-N10 PolarHBondContact O-N 3.29Å; L8-N10 VanDerWaalsContact C-N 3.34Å; L8-N10 PolarHBondContact O-N 3.07Å; N10-L12 VanDerWaalsContact C-N 3.32Å; N10-L12 PolarHBondContact O-N 3.48Å; N10-H13 PolarHBondContact O-N 3.23Å; N10-Q14 WeakPolarHBondContact O-CG 3.38Å; N10-Q14 PolarHBondContact O-N 3.49Å
11K93.3Very high88.5Confident142 Ų14299.3 Ų99.362%0.61752%0.516SS*.Hα-helixtrans-60.2-42.5174.7-76.7-175177.9-175.30111.9I7 L8 Q14 H15I7-K11 PolarHBondContact O-N 3.18Å; L8-K11 PolarHBondContact O-N 3.43Å; K11-Q14 PolarHBondContact O-N 3.34Å; K11-H15 PolarHBondContact O-N 2.85Å
12L92.6Very high89.8Confident107 Ų10791.6 Ų91.656%0.5648%0.483SS*.Hα-helixtrans-62.9-45176.1-17962.1000111.4L8 A9 N10 Q14 H15 I16L8-L12 WeakPolarHBondContact O-CB 3.23Å; L8-L12 PolarHBondContact O-N 2.94Å; A9-L12 PolarHBondContact O-N 2.97Å; N10-L12 VanDerWaalsContact C-N 3.32Å; N10-L12 PolarHBondContact O-N 3.48Å; L12-Q14 PolarHBondContact O-N 3.19Å; L12-H15 WeakPolarHBondContact O-CB 3.44Å; L12-H15 PolarHBondContact O-N 3.01Å; L12-I16 HydrophobicContact CD1-CD1 4.2Å; L12-I16 HydrophobicContact CD1-CG1 4.47Å; L12-I16 HydrophobicContact CG-CD1 3.99Å; L12-I16 WeakPolarHBondContact O-CG1 3.05Å; L12-I16 PolarHBondContact O-N 3.1Å
13H91.9Very high90Very high107 Ų10787 Ų8750%0.49545%0.451SS..Hα-helixtrans-59.1-47.4176.9-179.1-158.7000112A9 N10 H15 I16 I17A9-H13 WeakPolarHBondContact O-CB 3.29Å; A9-H13 PolarHBondContact O-N 3.28Å; N10-H13 PolarHBondContact O-N 3.23Å; H13-H15 VanDerWaalsContact C-N 3.33Å; H13-H15 PolarHBondContact O-N 3.42Å; H13-I16 PolarHBondContact O-N 3.31Å; H13-I17 WeakPolarHBondContact NE2-CD1 3.4Å; H13-I17 WeakPolarHBondContact O-CG1 3.25Å; H13-I17 PolarHBondContact O-N 3.31Å
14Q93.3Very high90.1Very high120 Ų12085.3 Ų85.356%0.56144%0.442SS*.Hα-helixtrans-60.3-42176.3-72.7-177.6-10.300112N10 K11 L12 I16 I17 H18N10-Q14 WeakPolarHBondContact O-CG 3.38Å; N10-Q14 PolarHBondContact O-N 3.49Å; K11-Q14 PolarHBondContact O-N 3.34Å; L12-Q14 PolarHBondContact O-N 3.19Å; Q14-I16 PolarHBondContact O-N 3.28Å; Q14-I17 PolarHBondContact O-N 3.15Å; Q14-H18 WeakPolarHBondContact O-CB 3.49Å; Q14-H18 PolarHBondContact O-N 2.87Å
15H92Very high90.4Very high93 Ų9388 Ų8843%0.43145%0.449SS..Hα-helixtrans-60.5-45.7175.8-174.981.2000111.7K11 L12 H13 H18 Q19K11-H15 PolarHBondContact O-N 2.85Å; L12-H15 WeakPolarHBondContact O-CB 3.44Å; L12-H15 PolarHBondContact O-N 3.01Å; H13-H15 VanDerWaalsContact C-N 3.33Å; H13-H15 PolarHBondContact O-N 3.42Å; H15-H18 PolarHBondContact O-N 2.86Å; H15-Q19 PolarHBondContact CE1-NE2 2.98Å; H15-Q19 PolarHBondContact NE2-NE2 3.46Å; H15-Q19 VanDerWaalsContact O-CG 3.29Å; H15-Q19 WeakPolarHBondContact O-CG 3.29Å; H15-Q19 PolarHBondContact O-N 3.26Å
16I90.9Very high90.5Very high58 Ų5885.6 Ų85.630%0.29744%0.439SS..Hα-helixtrans-62.4-48.1178.8-69.5167.4000110.8L12 H13 Q14 H18 Q19 F20 Y32L12-I16 HydrophobicContact CD1-CD1 4.2Å; L12-I16 HydrophobicContact CD1-CG1 4.47Å; L12-I16 HydrophobicContact CG-CD1 3.99Å; L12-I16 WeakPolarHBondContact O-CG1 3.05Å; L12-I16 PolarHBondContact O-N 3.1Å; H13-I16 PolarHBondContact O-N 3.31Å; Q14-I16 PolarHBondContact O-N 3.28Å; I16-H18 VanDerWaalsContact C-N 3.29Å; I16-H18 PolarHBondContact O-N 2.97Å; I16-Q19 PolarHBondContact O-N 3.18Å; I16-F20 HydrophobicContact CG2-CD2 3.64Å; I16-F20 HydrophobicContact CG2-CE2 3.59Å; I16-F20 VanDerWaalsContact O-CD2 3.29Å; I16-F20 WeakPolarHBondContact O-CD2 3.19Å; I16-F20 PolarHBondContact O-N 3.31Å; I16-Y32 HydrophobicContact CG1-CE1 4.5Å; I16-Y32 HydrophobicContact CG2-CE1 4.29Å
17I91.1Very high90.6Very high84 Ų8483 Ų8343%0.43142%0.417SS..Hα-helixtrans-57.8-45177.1-72.4171.6000110.8H13 Q14 Q19 F20 S21H13-I17 WeakPolarHBondContact NE2-CD1 3.4Å; H13-I17 WeakPolarHBondContact O-CG1 3.25Å; H13-I17 PolarHBondContact O-N 3.31Å; Q14-I17 PolarHBondContact O-N 3.15Å; I17-Q19 PolarHBondContact O-N 2.93Å; I17-F20 PolarHBondContact O-N 2.78Å; I17-S21 WeakPolarHBondContact O-CB 3.44Å; I17-S21 PolarHBondContact O-N 3.4Å; I17-S21 PolarHBondContact O-OG 2.97Å
18H91.5Very high90.6Very high112 Ų11282.2 Ų82.252%0.51942%0.416SS..Hα-helixtrans-59.3-47.8178.5177.1-88.3000111Q14 H15 I16 F20 S21 C22Q14-H18 WeakPolarHBondContact O-CB 3.49Å; Q14-H18 PolarHBondContact O-N 2.87Å; H15-H18 PolarHBondContact O-N 2.86Å; I16-H18 VanDerWaalsContact C-N 3.29Å; I16-H18 PolarHBondContact O-N 2.97Å; H18-F20 VanDerWaalsContact C-N 3.33Å; H18-F20 PolarHBondContact O-N 2.87Å; H18-S21 PolarHBondContact O-N 2.96Å; H18-S21 VanDerWaalsContact O-N 3.14Å; H18-C22 PolarHBondContact CE1-SG 3.2Å; H18-C22 PolarHBondContact O-N 2.76Å; H18-C22 PolarHBondContact O-SG 3.32Å; H18-C22 VanDerWaalsContact O-SG 3.37Å
19Q89.3Confident90.5Very high50 Ų5080.9 Ų80.923%0.23442%0.415CS..Hα-helixtrans-62.1-38.7178.4-67.3-67.1-2.800113H15 I16 I17 S23 Y32H15-Q19 PolarHBondContact CE1-NE2 2.98Å; H15-Q19 PolarHBondContact NE2-NE2 3.46Å; H15-Q19 VanDerWaalsContact O-CG 3.29Å; H15-Q19 WeakPolarHBondContact O-CG 3.29Å; H15-Q19 PolarHBondContact O-N 3.26Å; I16-Q19 PolarHBondContact O-N 3.18Å; I17-Q19 PolarHBondContact O-N 2.93Å; Q19-S23 VanDerWaalsContact O-CB 3.24Å; Q19-S23 WeakPolarHBondContact O-CB 3.39Å; Q19-S23 PolarHBondContact O-N 3.4Å; Q19-S23 PolarHBondContact O-OG 3.16Å; Q19-Y32 HydrophobicContact CB-CD1 4.01Å; Q19-Y32 HydrophobicContact CB-CD2 3.54Å; Q19-Y32 HydrophobicContact CB-CE1 4Å; Q19-Y32 HydrophobicContact CB-CE2 3.53Å; Q19-Y32 HydrophobicContact CB-CG 3.77Å; Q19-Y32 HydrophobicContact CG-CD2 4.07Å; Q19-Y32 HydrophobicContact CG-CE2 3.61Å
20F89.3Confident90.5Very high56 Ų5680.6 Ų80.625%0.24641%0.407CS..Hα-helixtrans-64.8-42.2173-86.4-66.5000112.2I16 I17 H18 S23 L24 Y32 Y35 L36I16-F20 HydrophobicContact CG2-CD2 3.64Å; I16-F20 HydrophobicContact CG2-CE2 3.59Å; I16-F20 VanDerWaalsContact O-CD2 3.29Å; I16-F20 WeakPolarHBondContact O-CD2 3.19Å; I16-F20 PolarHBondContact O-N 3.31Å; I17-F20 PolarHBondContact O-N 2.78Å; H18-F20 VanDerWaalsContact C-N 3.33Å; H18-F20 PolarHBondContact O-N 2.87Å; F20-S23 CarbonylContact O-C 3.6Å; F20-S23 PolarHBondContact O-N 2.83Å; F20-L24 WeakPolarHBondContact O-CB 3.41Å; F20-L24 WeakPolarHBondContact O-CG 3.46Å; F20-L24 PolarHBondContact O-N 2.95Å; F20-Y32 HydrophobicContact CD2-CD1 4.04Å; F20-Y32 HydrophobicContact CE1-CD1 4.32Å; F20-Y32 AromaticContact CE2-CD1 3.77Å; F20-Y32 HydrophobicContact CE2-CD1 3.77Å; F20-Y32 HydrophobicContact CE2-CE1 4.28Å; F20-Y32 HydrophobicContact CG-CD1 4.43Å; F20-Y32 AromaticContact CZ-CD1 3.92Å; F20-Y32 HydrophobicContact CZ-CD1 3.92Å; F20-Y35 AromaticContact CE1-CD1 3.96Å; F20-Y35 HydrophobicContact CE1-CD1 3.96Å; F20-Y35 AromaticContact CZ-CD1 4Å; F20-Y35 HydrophobicContact CZ-CD1 4Å; F20-Y35 HydrophobicContact CZ-CE1 4.37Å; F20-L36 HydrophobicContact CE1-CB 4.37Å
21S90.2Very high90.3Very high64 Ų6484 Ų8445%0.44842%0.418SS..Hα-helixtrans-64.4-45.1179.3-57.40000111.5I17 H18 S23 L24 K25I17-S21 WeakPolarHBondContact O-CB 3.44Å; I17-S21 PolarHBondContact O-N 3.4Å; I17-S21 PolarHBondContact O-OG 2.97Å; H18-S21 PolarHBondContact O-N 2.96Å; H18-S21 VanDerWaalsContact O-N 3.14Å; S21-S23 VanDerWaalsContact C-N 3.32Å; S21-S23 PolarHBondContact O-N 3.45Å; S21-L24 PolarHBondContact O-N 3.13Å; S21-K25 PolarHBondContact O-N 3.41Å
22C88.9Confident90Very high55 Ų5579.9 Ų79.937%0.37240%0.399SS..Hα-helixtrans-59.9-44.1172.7-67.30000111.4H18 L24 K25 K26H18-C22 PolarHBondContact CE1-SG 3.2Å; H18-C22 PolarHBondContact O-N 2.76Å; H18-C22 PolarHBondContact O-SG 3.32Å; H18-C22 VanDerWaalsContact O-SG 3.37Å; C22-L24 VanDerWaalsContact C-N 3.34Å; C22-L24 PolarHBondContact O-N 3.31Å; C22-K25 PolarHBondContact O-N 2.9Å; C22-K26 PolarHBondContact O-N 3.02Å
23S87.2Confident89.9Confident0 Ų074.8 Ų74.80%037%0.372CS..Hα-helixtrans-66.2-33.2179.7-64.50000113Q19 F20 S21 P27 N30 S33 Y37Q19-S23 VanDerWaalsContact O-CB 3.24Å; Q19-S23 WeakPolarHBondContact O-CB 3.39Å; Q19-S23 PolarHBondContact O-N 3.4Å; Q19-S23 PolarHBondContact O-OG 3.16Å; F20-S23 CarbonylContact O-C 3.6Å; F20-S23 PolarHBondContact O-N 2.83Å; S21-S23 VanDerWaalsContact C-N 3.32Å; S21-S23 PolarHBondContact O-N 3.45Å; S23-P27 VanDerWaalsContact O-CA 3.29Å; S23-P27 WeakPolarHBondContact O-CA 3.27Å; S23-P27 WeakPolarHBondContact O-CD 3.31Å; S23-P27 VanDerWaalsContact O-CG 3.28Å; S23-P27 WeakPolarHBondContact O-CG 3.46Å; S23-N30 PolarHBondContact OG-ND2 2.52Å; S23-N30 PolarHBondContact OG-OD1 2.68Å; S23-S33 WeakPolarHBondContact CB-OG 3.42Å; S23-S33 PolarHBondContact OG-OG 3.29Å; S23-Y37 WeakPolarHBondContact O-CE2 3.41Å
24L86.2Confident89.8Confident92 Ų9274.1 Ų74.148%0.48237%0.368SS..Hα-helixtrans-68.1-40.3172.4-81.9163.5000111.8F20 S21 C22 L36 Y37F20-L24 WeakPolarHBondContact O-CB 3.41Å; F20-L24 WeakPolarHBondContact O-CG 3.46Å; F20-L24 PolarHBondContact O-N 2.95Å; S21-L24 PolarHBondContact O-N 3.13Å; C22-L24 VanDerWaalsContact C-N 3.34Å; C22-L24 PolarHBondContact O-N 3.31Å; L24-L36 HydrophobicContact CB-CD2 4.49Å; L24-L36 HydrophobicContact CD2-CD1 4.44Å; L24-L36 HydrophobicContact CD2-CD2 3.51Å; L24-L36 HydrophobicContact CD2-CG 4.41Å; L24-L36 HydrophobicContact CG-CD2 3.54Å; L24-Y37 PolarHBondContact O-OH 2.77Å
25K88.1Confident89.7Confident173 Ų17373.3 Ų73.375%0.75236%0.361SS*.Hα-helixtrans-73.1-48-176.5-175.5177.3179.9179.90112.7S21 C22 I124S21-K25 PolarHBondContact O-N 3.41Å; C22-K25 PolarHBondContact O-N 2.9Å; K25-I124 WeakPolarHBondContact O-CD1 3.4Å
26K89.3Confident89.4Confident104 Ų10469.4 Ų69.445%0.45234%0.343SS..SBendtrans-14591.4177.9-174.5171.5177167.40108.4C22 I124C22-K26 PolarHBondContact O-N 3.02Å; K26-I124 WeakPolarHBondContact CE-O 3.34Å
27P90Very high89.3Confident6 Ų668.6 Ų68.64%0.03934%0.337CS..  trans-55.9141.9-177.8-23.629.7000111.7S23 Y37 S125 Y127 M128S23-P27 VanDerWaalsContact O-CA 3.29Å; S23-P27 WeakPolarHBondContact O-CA 3.27Å; S23-P27 WeakPolarHBondContact O-CD 3.31Å; S23-P27 VanDerWaalsContact O-CG 3.28Å; S23-P27 WeakPolarHBondContact O-CG 3.46Å; P27-Y37 HydrophobicContact CB-CD2 4.24Å; P27-Y37 HydrophobicContact CB-CE2 3.97Å; P27-Y37 HydrophobicContact CG-CD2 4.14Å; P27-Y37 HydrophobicContact CG-CE1 4.2Å; P27-Y37 HydrophobicContact CG-CE2 3.46Å; P27-Y37 VanDerWaalsContact CG-CE2 3.46Å; P27-Y37 VanDerWaalsContact CG-CZ 3.49Å; P27-S125 PolarHBondContact O-OG 3.34Å; P27-Y127 HydrophobicContact CB-CD1 3.98Å; P27-M128 HydrophobicContact CB-CE 3.28Å; P27-M128 HydrophobicContact CB-CG 3.99Å; P27-M128 HydrophobicContact CB-SD 4.5Å; P27-M128 HydrophobicContact CG-CE 3.56Å; P27-M128 HydrophobicContact CG-CG 3.94Å
28T91.3Very high88.9Confident66 Ų6668.3 Ų68.341%0.40533%0.333SS..  trans-130.3177174.659.20000109.8N30 S33 Y127T28-N30 PolarHBondContact O-N 2.89Å; T28-N30 PolarHBondContact OG1-ND2 3.34Å; T28-S33 PolarHBondContact N-OG 2.96Å; T28-S33 VanDerWaalsContact N-OG 3.15Å; T28-S33 WeakPolarHBondContact O-CB 3.3Å; T28-S33 PolarHBondContact O-OG 3.41Å; T28-Y127 WeakPolarHBondContact O-CD1 3.34Å; T28-Y127 WeakPolarHBondContact O-CE1 3.44Å
29S89.7Confident88.6Confident75 Ų7570.4 Ų70.452%0.52434%0.338SS..SBendtrans-75.928.7179.6-160.50000114
30N91.2Very high88.4Confident42 Ų4272.8 Ų72.823%0.22535%0.347CS..SBendtrans-86.8166.4179.376.237000112.1S23 T28 Y32 S33 K34S23-N30 PolarHBondContact OG-ND2 2.52Å; S23-N30 PolarHBondContact OG-OD1 2.68Å; T28-N30 PolarHBondContact O-N 2.89Å; T28-N30 PolarHBondContact OG1-ND2 3.34Å; N30-Y32 PolarHBondContact O-N 2.92Å; N30-Y32 WeakPolarHBondContact OD1-CB 3.49Å; N30-Y32 PolarHBondContact OD1-N 3.11Å; N30-Y32 VanDerWaalsContact OD1-N 3.08Å; N30-S33 PolarHBondContact O-N 3.01Å; N30-S33 WeakPolarHBondContact OD1-CB 3.15Å; N30-S33 PolarHBondContact OD1-N 2.95Å; N30-S33 PolarHBondContact OD1-OG 2.94Å; N30-K34 WeakPolarHBondContact O-CG 3.33Å; N30-K34 PolarHBondContact O-N 3.02Å
31F88.8Confident88.2Confident159 Ų15971.9 Ų71.970%0.69735%0.345SS*.Hα-helixtrans-59.2-43-177.9178.6-99.5000113K34 Y35F31-K34 PolarHBondContact O-N 2.92Å; F31-Y35 PolarHBondContact O-N 2.76Å
32Y88.5Confident88Confident54 Ų5472.9 Ų72.921%0.21234%0.341CS..Hα-helixtrans-63-46.2-178.8-57.5-83.5000112.1I16 Q19 F20 N30 Y35 L36I16-Y32 HydrophobicContact CG1-CE1 4.5Å; I16-Y32 HydrophobicContact CG2-CE1 4.29Å; Q19-Y32 HydrophobicContact CB-CD1 4.01Å; Q19-Y32 HydrophobicContact CB-CD2 3.54Å; Q19-Y32 HydrophobicContact CB-CE1 4Å; Q19-Y32 HydrophobicContact CB-CE2 3.53Å; Q19-Y32 HydrophobicContact CB-CG 3.77Å; Q19-Y32 HydrophobicContact CG-CD2 4.07Å; Q19-Y32 HydrophobicContact CG-CE2 3.61Å; F20-Y32 HydrophobicContact CD2-CD1 4.04Å; F20-Y32 HydrophobicContact CE1-CD1 4.32Å; F20-Y32 AromaticContact CE2-CD1 3.77Å; F20-Y32 HydrophobicContact CE2-CD1 3.77Å; F20-Y32 HydrophobicContact CE2-CE1 4.28Å; F20-Y32 HydrophobicContact CG-CD1 4.43Å; F20-Y32 AromaticContact CZ-CD1 3.92Å; F20-Y32 HydrophobicContact CZ-CD1 3.92Å; N30-Y32 PolarHBondContact O-N 2.92Å; N30-Y32 WeakPolarHBondContact OD1-CB 3.49Å; N30-Y32 PolarHBondContact OD1-N 3.11Å; N30-Y32 VanDerWaalsContact OD1-N 3.08Å; Y32-Y35 PolarHBondContact O-N 3.37Å; Y32-L36 WeakPolarHBondContact O-CB 3.47Å; Y32-L36 PolarHBondContact O-N 2.76Å
33S89.9Confident87.6Confident0 Ų078.3 Ų78.30%036%0.358CS..Hα-helixtrans-62.3-43.5175.3-68.30000111.4S23 T28 N30 L36 Y37S23-S33 WeakPolarHBondContact CB-OG 3.42Å; S23-S33 PolarHBondContact OG-OG 3.29Å; T28-S33 PolarHBondContact N-OG 2.96Å; T28-S33 VanDerWaalsContact N-OG 3.15Å; T28-S33 WeakPolarHBondContact O-CB 3.3Å; T28-S33 PolarHBondContact O-OG 3.41Å; N30-S33 PolarHBondContact O-N 3.01Å; N30-S33 WeakPolarHBondContact OD1-CB 3.15Å; N30-S33 PolarHBondContact OD1-N 2.95Å; N30-S33 PolarHBondContact OD1-OG 2.94Å; S33-L36 PolarHBondContact O-N 3.23Å; S33-Y37 WeakPolarHBondContact O-CB 3.15Å; S33-Y37 PolarHBondContact O-N 3.15Å
34K90.3Very high87.4Confident93 Ų9384.1 Ų84.140%0.40439%0.385SS..Iπ-helixtrans-59.7-50.6175.6-73.3177.5-179.1174.30111.3N30 F31 Q38 Y127N30-K34 WeakPolarHBondContact O-CG 3.33Å; N30-K34 PolarHBondContact O-N 3.02Å; F31-K34 PolarHBondContact O-N 2.92Å; K34-Q38 VanDerWaalsContact O-CB 3.23Å; K34-Q38 WeakPolarHBondContact O-CB 3.36Å; K34-Q38 PolarHBondContact O-N 3.03Å; K34-Y127 WeakPolarHBondContact CG-OH 3.48Å
35Y89.5Confident87.4Confident103 Ų10382.7 Ų82.740%0.40438%0.379SS..Iπ-helixtrans-60.6-48.5178.4174.6-97.8000111.6F20 F31 Y32 Y39 K40F20-Y35 AromaticContact CE1-CD1 3.96Å; F20-Y35 HydrophobicContact CE1-CD1 3.96Å; F20-Y35 AromaticContact CZ-CD1 4Å; F20-Y35 HydrophobicContact CZ-CD1 4Å; F20-Y35 HydrophobicContact CZ-CE1 4.37Å; F31-Y35 PolarHBondContact O-N 2.76Å; Y32-Y35 PolarHBondContact O-N 3.37Å; Y35-Y39 HydrophobicContact CD2-CD1 4.4Å; Y35-Y39 AromaticContact CE2-CD1 3.96Å; Y35-Y39 HydrophobicContact CE2-CD1 3.96Å; Y35-Y39 VanDerWaalsContact O-CB 3.28Å; Y35-Y39 WeakPolarHBondContact O-CB 3.36Å; Y35-Y39 PolarHBondContact O-N 2.95Å; Y35-K40 HydrophobicContact CE1-CD 4.46Å; Y35-K40 PolarHBondContact O-N 3.2Å
36L87.3Confident87.4Confident12 Ų1281.8 Ų81.86%0.06337%0.374CS..Iπ-helixtrans-63.2-53-176.8-177.369.8000111.6F20 L24 Y32 S33 K40 L41F20-L36 HydrophobicContact CE1-CB 4.37Å; L24-L36 HydrophobicContact CB-CD2 4.49Å; L24-L36 HydrophobicContact CD2-CD1 4.44Å; L24-L36 HydrophobicContact CD2-CD2 3.51Å; L24-L36 HydrophobicContact CD2-CG 4.41Å; L24-L36 HydrophobicContact CG-CD2 3.54Å; Y32-L36 WeakPolarHBondContact O-CB 3.47Å; Y32-L36 PolarHBondContact O-N 2.76Å; S33-L36 PolarHBondContact O-N 3.23Å; L36-K40 PolarHBondContact O-N 3.17Å; L36-L41 HydrophobicContact CD1-CD1 4.13Å; L36-L41 HydrophobicContact CD1-CG 4.14Å; L36-L41 HydrophobicContact CD2-CD1 4.32Å; L36-L41 HydrophobicContact CG-CD1 3.78Å; L36-L41 HydrophobicContact CG-CG 4.17Å; L36-L41 WeakPolarHBondContact O-CB 3.42Å; L36-L41 WeakPolarHBondContact O-CG 3.41Å; L36-L41 PolarHBondContact O-N 3.42Å
37Y88.3Confident87.4Confident41 Ų4183.7 Ų83.716%0.16139%0.389CS..Iπ-helixtrans-85.6-43.5-171.9-76.2-92000113.5S23 L24 P27 S33 L41 K42 Q71 M128S23-Y37 WeakPolarHBondContact O-CE2 3.41Å; L24-Y37 PolarHBondContact O-OH 2.77Å; P27-Y37 HydrophobicContact CB-CD2 4.24Å; P27-Y37 HydrophobicContact CB-CE2 3.97Å; P27-Y37 HydrophobicContact CG-CD2 4.14Å; P27-Y37 HydrophobicContact CG-CE1 4.2Å; P27-Y37 HydrophobicContact CG-CE2 3.46Å; P27-Y37 VanDerWaalsContact CG-CE2 3.46Å; P27-Y37 VanDerWaalsContact CG-CZ 3.49Å; S33-Y37 WeakPolarHBondContact O-CB 3.15Å; S33-Y37 PolarHBondContact O-N 3.15Å; Y37-L41 HydrophobicContact CD1-CD1 3.96Å; Y37-L41 HydrophobicContact CE1-CD1 3.84Å; Y37-L41 HydrophobicContact CE2-CD1 4.41Å; Y37-L41 HydrophobicContact CG-CD1 4.31Å; Y37-K42 WeakPolarHBondContact O-CB 3.48Å; Y37-K42 PolarHBondContact O-N 3.42Å; Y37-K42 VanDerWaalsContact O-N 3.1Å; Y37-Q71 PolarHBondContact O-OE1 3.27Å; Y37-M128 HydrophobicContact CD1-CE 3.43Å; Y37-M128 VanDerWaalsContact CD1-CE 3.43Å; Y37-M128 HydrophobicContact CD1-SD 4.31Å; Y37-M128 HydrophobicContact CD2-CE 3.56Å; Y37-M128 HydrophobicContact CE1-CE 3.95Å; Y37-M128 HydrophobicContact CE2-CE 4.09Å; Y37-M128 HydrophobicContact CG-CE 3.21Å
38Q83.5Confident87.5Confident77 Ų7789.2 Ų89.236%0.3642%0.417SS..Iπ-helixtrans-80.9-28.6-174.7-57.8-179.137.500112.7K34 Y127K34-Q38 VanDerWaalsContact O-CB 3.23Å; K34-Q38 WeakPolarHBondContact O-CB 3.36Å; K34-Q38 PolarHBondContact O-N 3.03Å; Q38-Y127 PolarHBondContact NE2-OH 3Å
39Y84.4Confident87.6Confident157 Ų15787.5 Ų87.562%0.61641%0.407SS*.Iπ-helixtrans-104.7-59.9-177-169.5-97.1000112.2Y35 K43Y35-Y39 HydrophobicContact CD2-CD1 4.4Å; Y35-Y39 AromaticContact CE2-CD1 3.96Å; Y35-Y39 HydrophobicContact CE2-CD1 3.96Å; Y35-Y39 VanDerWaalsContact O-CB 3.28Å; Y35-Y39 WeakPolarHBondContact O-CB 3.36Å; Y35-Y39 PolarHBondContact O-N 2.95Å; Y39-K43 WeakPolarHBondContact O-CB 3.44Å
40K85.3Confident87.8Confident99 Ų9985.4 Ų85.443%0.4339%0.394SS..Iπ-helixtrans-75.8-61.3-171-168.4176.7179.9-177.70112.6Y35 L36 K43 Q44Y35-K40 HydrophobicContact CE1-CD 4.46Å; Y35-K40 PolarHBondContact O-N 3.2Å; L36-K40 PolarHBondContact O-N 3.17Å; K40-K43 PolarHBondContact O-N 3.03Å; K40-Q44 WeakPolarHBondContact O-CG 3.39Å; K40-Q44 PolarHBondContact O-N 3.04Å
41L85.6Confident88Confident37 Ų3786 Ų8619%0.19441%0.405CS..Iπ-helixtrans-70-41.6-174.3-66.8178.2000112L36 Y37 K43 Q44 N45L36-L41 HydrophobicContact CD1-CD1 4.13Å; L36-L41 HydrophobicContact CD1-CG 4.14Å; L36-L41 HydrophobicContact CD2-CD1 4.32Å; L36-L41 HydrophobicContact CG-CD1 3.78Å; L36-L41 HydrophobicContact CG-CG 4.17Å; L36-L41 WeakPolarHBondContact O-CB 3.42Å; L36-L41 WeakPolarHBondContact O-CG 3.41Å; L36-L41 PolarHBondContact O-N 3.42Å; Y37-L41 HydrophobicContact CD1-CD1 3.96Å; Y37-L41 HydrophobicContact CE1-CD1 3.84Å; Y37-L41 HydrophobicContact CE2-CD1 4.41Å; Y37-L41 HydrophobicContact CG-CD1 4.31Å; L41-K43 VanDerWaalsContact C-N 3.28Å; L41-K43 PolarHBondContact O-N 3.08Å; L41-Q44 PolarHBondContact O-N 3.26Å; L41-N45 VanDerWaalsContact O-CB 3.24Å; L41-N45 WeakPolarHBondContact O-CB 3.4Å; L41-N45 VanDerWaalsContact O-CG 3.3Å; L41-N45 PolarHBondContact O-N 2.96Å
42K84.2Confident88.2Confident85 Ų8581 Ų8137%0.3739%0.393SS..Hα-helixtrans-52.1-47.7175178.5167-161.9138.70112.4Y37 K46 Q71 D73Y37-K42 WeakPolarHBondContact O-CB 3.48Å; Y37-K42 PolarHBondContact O-N 3.42Å; Y37-K42 VanDerWaalsContact O-N 3.1Å; K42-K46 PolarHBondContact O-N 3.4Å; K42-Q71 VanDerWaalsContact CB-NE2 3.33Å; K42-D73 IonicContact NZ-OD1 3.94Å
43K80.3Confident88.5Confident170 Ų17079.1 Ų79.174%0.73939%0.386SS*.Hα-helixtrans-66.8-39.9-177.5-171.8177.2179.3-178.30111.6Y39 K40 L41Y39-K43 WeakPolarHBondContact O-CB 3.44Å; K40-K43 PolarHBondContact O-N 3.03Å; L41-K43 VanDerWaalsContact C-N 3.28Å; L41-K43 PolarHBondContact O-N 3.08Å
44Q83.6Confident88.8Confident121 Ų12183.4 Ų83.457%0.56541%0.409SS*.Hα-helixtrans-74.7-39.1-178.3-69.2177.7-34.400112.2K40 L41K40-Q44 WeakPolarHBondContact O-CG 3.39Å; K40-Q44 PolarHBondContact O-N 3.04Å; L41-Q44 PolarHBondContact O-N 3.26Å
45N86.6Confident89.1Confident63 Ų6383.1 Ų83.134%0.33742%0.424SS..Hα-helixtrans-85.6-14.1-170.8-67.6-8.6000113.3L41 L47 L48 T49L41-N45 VanDerWaalsContact O-CB 3.24Å; L41-N45 WeakPolarHBondContact O-CB 3.4Å; L41-N45 VanDerWaalsContact O-CG 3.3Å; L41-N45 PolarHBondContact O-N 2.96Å; N45-L47 VanDerWaalsContact C-N 3.31Å; N45-L47 PolarHBondContact O-N 2.79Å; N45-L48 CarbonylContact O-C 3.59Å; N45-L48 PolarHBondContact O-N 3.27Å; N45-T49 WeakPolarHBondContact O-CB 3.34Å; N45-T49 PolarHBondContact O-N 2.75Å; N45-T49 PolarHBondContact O-OG1 3.29Å
46K87.6Confident89.4Confident153 Ų15382.1 Ų82.167%0.66543%0.431SS*.Hα-helixtrans-52.4-47.1-175.7-171.9179.9179.7-174.80113.3K42 A50K42-K46 PolarHBondContact O-N 3.4Å; K46-A50 PolarHBondContact O-N 3.36Å; K46-A50 VanDerWaalsContact O-N 3.13Å
47L90.4Very high89.8Confident145 Ų14586.7 Ų86.776%0.75946%0.456SS*.Hα-helixtrans-71.8-37.2179.2-65177.7000111.9N45 A50 A51N45-L47 VanDerWaalsContact C-N 3.31Å; N45-L47 PolarHBondContact O-N 2.79Å; L47-A50 PolarHBondContact O-N 2.87Å; L47-A51 WeakPolarHBondContact O-CB 3.49Å; L47-A51 PolarHBondContact O-N 2.99Å
48L92.1Very high90.2Very high121 Ų12185.9 Ų85.963%0.63445%0.454SS*.Hα-helixtrans-67-42.7178.9-172.866.5000111.4N45 A51 A52N45-L48 CarbonylContact O-C 3.59Å; N45-L48 PolarHBondContact O-N 3.27Å; L48-A51 PolarHBondContact O-N 2.72Å; L48-A52 WeakPolarHBondContact O-CB 2.97Å; L48-A52 PolarHBondContact O-N 3.07Å
49T93.1Very high90.8Very high31 Ų3187.1 Ų87.119%0.1946%0.458CS..Hα-helixtrans-63.4-44.5175.8-57.90000110.7N45 A52 I53 D73 G74 L77N45-T49 WeakPolarHBondContact O-CB 3.34Å; N45-T49 PolarHBondContact O-N 2.75Å; N45-T49 PolarHBondContact O-OG1 3.29Å; T49-A52 PolarHBondContact O-N 2.77Å; T49-I53 VanDerWaalsContact O-CG1 3.3Å; T49-I53 WeakPolarHBondContact O-CG1 3.42Å; T49-I53 PolarHBondContact O-N 2.8Å; T49-D73 HydrophobicContact CG2-CB 4.29Å; T49-G74 VanDerWaalsContact CG2-CA 3.41Å; T49-L77 HydrophobicContact CG2-CD1 4.06Å
50A93.2Very high91.2Very high31 Ų3183.7 Ų83.726%0.25646%0.455SS..Hα-helixtrans-59.7-49.1175.200000111.6K46 L47 A52 I53 D54 L77K46-A50 PolarHBondContact O-N 3.36Å; K46-A50 VanDerWaalsContact O-N 3.13Å; L47-A50 PolarHBondContact O-N 2.87Å; A50-A52 VanDerWaalsContact C-N 3.3Å; A50-A52 PolarHBondContact O-N 3.17Å; A50-I53 PolarHBondContact O-N 3.09Å; A50-D54 WeakPolarHBondContact O-CB 3.07Å; A50-D54 VanDerWaalsContact O-CG 3.24Å; A50-D54 PolarHBondContact O-N 3.48Å; A50-L77 HydrophobicContact CB-CD1 4.35Å
51A95.1Very high91.6Very high54 Ų5480.6 Ų80.645%0.44645%0.451SS..Hα-helixtrans-61.3-37.5177.800000112.8L47 L48 D54 A55L47-A51 WeakPolarHBondContact O-CB 3.49Å; L47-A51 PolarHBondContact O-N 2.99Å; L48-A51 PolarHBondContact O-N 2.72Å; A51-D54 PolarHBondContact O-N 3.32Å; A51-A55 VanDerWaalsContact O-CB 3.3Å; A51-A55 WeakPolarHBondContact O-CB 3.42Å; A51-A55 PolarHBondContact O-N 3.23Å
52A94.2Very high92.1Very high54 Ų5482 Ų8245%0.44646%0.459SS..Hα-helixtrans-65.4-43.3176.200000111.7L48 T49 A50 A55 C56L48-A52 WeakPolarHBondContact O-CB 2.97Å; L48-A52 PolarHBondContact O-N 3.07Å; T49-A52 PolarHBondContact O-N 2.77Å; A50-A52 VanDerWaalsContact C-N 3.3Å; A50-A52 PolarHBondContact O-N 3.17Å; A52-A55 PolarHBondContact O-N 2.83Å; A52-C56 PolarHBondContact O-N 3.37Å; A52-C56 PolarHBondContact O-SG 3.06Å
53I94.9Very high92.5Very high15 Ų1583.1 Ų83.18%0.07747%0.469CS..Hα-helixtrans-65.8-42.7176.3-66.4-64.5000111.1T49 A50 A55 C56 L58 L77 A78 Y81T49-I53 VanDerWaalsContact O-CG1 3.3Å; T49-I53 WeakPolarHBondContact O-CG1 3.42Å; T49-I53 PolarHBondContact O-N 2.8Å; A50-I53 PolarHBondContact O-N 3.09Å; I53-A55 VanDerWaalsContact C-N 3.3Å; I53-A55 PolarHBondContact O-N 3.1Å; I53-C56 WeakPolarHBondContact O-CB 3.24Å; I53-C56 PolarHBondContact O-N 3.04Å; I53-C56 VanDerWaalsContact O-N 3.09Å; I53-L58 HydrophobicContact CG2-CD1 4.07Å; I53-L77 HydrophobicContact CB-CB 4.45Å; I53-L77 HydrophobicContact CG1-CB 4.03Å; I53-L77 HydrophobicContact CG1-CD1 4.45Å; I53-L77 HydrophobicContact CG2-CB 4.18Å; I53-A78 HydrophobicContact CD1-CB 4.17Å; I53-Y81 HydrophobicContact CG2-CD2 3.78Å; I53-Y81 HydrophobicContact CG2-CE2 3.65Å
54D95.1Very high93.2Very high90 Ų9076.1 Ų76.148%0.48144%0.44SS..Hα-helixtrans-62.9-38.9177.5-68.1-19.5000111.2A50 A51 C56 N57 Y81A50-D54 WeakPolarHBondContact O-CB 3.07Å; A50-D54 VanDerWaalsContact O-CG 3.24Å; A50-D54 PolarHBondContact O-N 3.48Å; A51-D54 PolarHBondContact O-N 3.32Å; D54-C56 PolarHBondContact O-N 2.97Å; D54-N57 PolarHBondContact O-N 3.25Å; D54-Y81 PolarHBondContact OD1-OH 2.96Å
55A96.5Very high93.7Very high86 Ų8675.1 Ų75.171%0.71144%0.438SS*.Hα-helixtrans-64.2-23.7175.600000113.4A51 A52 I53 N57A51-A55 VanDerWaalsContact O-CB 3.3Å; A51-A55 WeakPolarHBondContact O-CB 3.42Å; A51-A55 PolarHBondContact O-N 3.23Å; A52-A55 PolarHBondContact O-N 2.83Å; I53-A55 VanDerWaalsContact C-N 3.3Å; I53-A55 PolarHBondContact O-N 3.1Å; A55-N57 PolarHBondContact O-N 2.91Å
56C95.7Very high94Very high82 Ų8274.5 Ų74.555%0.55443%0.434SS*.THydrogen-bonded Turntrans-73.3-14173.6-64.80000113.2A52 I53 D54 L58A52-C56 PolarHBondContact O-N 3.37Å; A52-C56 PolarHBondContact O-SG 3.06Å; I53-C56 WeakPolarHBondContact O-CB 3.24Å; I53-C56 PolarHBondContact O-N 3.04Å; I53-C56 VanDerWaalsContact O-N 3.09Å; D54-C56 PolarHBondContact O-N 2.97Å; C56-L58 HydrophobicContact CB-CD2 3.76Å; C56-L58 HydrophobicContact CB-CG 3.84Å; C56-L58 PolarHBondContact O-N 3.08Å
57N96.5Very high94.3Very high108 Ų10873.5 Ų73.558%0.57843%0.434SS*.THydrogen-bonded Turntrans50.639.6179.2-170.433.1000113.6D54 A55 K59D54-N57 PolarHBondContact O-N 3.25Å; A55-N57 PolarHBondContact O-N 2.91Å; N57-K59 VanDerWaalsContact O-CE 3.3Å; N57-K59 WeakPolarHBondContact O-CE 3.45Å; N57-K59 WeakPolarHBondContact OD1-CE 3.32Å; N57-K59 PolarHBondContact OD1-NZ 3.39Å
58L96.2Very high94.3Very high25 Ų2568.8 Ų68.813%0.13142%0.421CS..  trans-57.4145.4-175.6-58.9178.8000112.2I53 C56 V64 A78 Y81 V82I53-L58 HydrophobicContact CG2-CD1 4.07Å; C56-L58 HydrophobicContact CB-CD2 3.76Å; C56-L58 HydrophobicContact CB-CG 3.84Å; C56-L58 PolarHBondContact O-N 3.08Å; L58-V64 HydrophobicContact CD1-CG2 4.01Å; L58-V64 HydrophobicContact CD2-CG2 3.71Å; L58-V64 HydrophobicContact CG-CG2 4.49Å; L58-A78 HydrophobicContact CD1-CB 3.86Å; L58-Y81 HydrophobicContact CB-CG 4.37Å; L58-V82 HydrophobicContact CB-CG1 4.05Å; L58-V82 HydrophobicContact CD1-CG1 4.23Å
59K95.6Very high94.3Very high102 Ų10263.4 Ų63.444%0.44339%0.392SS..  trans-122.5154.6177.4-55.3-61.2167.1-151.70111.5N57 G61 D62N57-K59 VanDerWaalsContact O-CE 3.3Å; N57-K59 WeakPolarHBondContact O-CE 3.45Å; N57-K59 WeakPolarHBondContact OD1-CE 3.32Å; N57-K59 PolarHBondContact OD1-NZ 3.39Å; K59-G61 PolarHBondContact O-N 3.22Å; K59-D62 WeakPolarHBondContact CB-OD2 2.87Å; K59-D62 PolarHBondContact N-OD2 3.39Å; K59-D62 WeakPolarHBondContact O-CB 3.4Å; K59-D62 PolarHBondContact O-N 2.98Å; K59-D62 VanDerWaalsContact O-N 3.09Å
60P94.4Very high94.1Very high86 Ų8662.5 Ų62.556%0.55839%0.389SS*.THydrogen-bonded Turntrans-52.2129.7167.9-26.135.4000110.8Y81 P84P60-Y81 WeakPolarHBondContact CA-O 3.4Å; P60-P84 HydrophobicContact CB-CG 4.04Å; P60-P84 HydrophobicContact CG-CG 4.12Å
61G93.6Very high94Very high33 Ų3362.1 Ų62.134%0.3438%0.382SS..THydrogen-bonded Turntrans97.3-14.8-176.900000115.3K59 V82 N115 G117K59-G61 PolarHBondContact O-N 3.22Å; G61-V82 PolarHBondContact N-O 3Å; G61-N115 WeakPolarHBondContact CA-O 3.29Å; G61-N115 PolarHBondContact N-O 3.37Å; G61-G117 WeakPolarHBondContact O-CA 3.35Å
62D95.1Very high93.8Very high67 Ų6759.5 Ų59.536%0.35836%0.36SS..  trans-70143-179.1-71.8-19000112.6K59 V82 G117K59-D62 WeakPolarHBondContact CB-OD2 2.87Å; K59-D62 PolarHBondContact N-OD2 3.39Å; K59-D62 WeakPolarHBondContact O-CB 3.4Å; K59-D62 PolarHBondContact O-N 2.98Å; K59-D62 VanDerWaalsContact O-N 3.09Å; D62-V82 HydrophobicContact CB-CB 4.49Å; D62-V82 HydrophobicContact CB-CG1 3.88Å; D62-V82 VanDerWaalsContact O-CB 3.23Å; D62-V82 WeakPolarHBondContact O-CB 3.27Å; D62-G117 VanDerWaalsContact O-CA 3.29Å; D62-G117 WeakPolarHBondContact O-CA 3.35Å
63N93.1Very high93.6Very high108 Ų10858.2 Ų58.258%0.57835%0.346SS*.  trans-93.2133.5169.8-67.5-46.7000110.4H118 Y120N63-H118 CarbonylContact C-O 3.56Å; N63-H118 VanDerWaalsContact CA-O 3.31Å; N63-H118 WeakPolarHBondContact CA-O 3.47Å; N63-H118 WeakPolarHBondContact OD1-CB 3.08Å; N63-H118 PolarHBondContact OD1-N 2.9Å; N63-Y120 HydrophobicContact CB-CE2 4.47Å
64V93.9Very high93.5Very high23 Ų2357.7 Ų57.714%0.13934%0.344CS..EExtended strand (participates in β ladder)trans-122.4136.9-177178.40000109.8L58 A78 V82 H118 V119 Y120L58-V64 HydrophobicContact CD1-CG2 4.01Å; L58-V64 HydrophobicContact CD2-CG2 3.71Å; L58-V64 HydrophobicContact CG-CG2 4.49Å; V64-A78 HydrophobicContact CG1-CB 4.15Å; V64-A78 HydrophobicContact CG2-CB 4.46Å; V64-V82 HydrophobicContact CG2-CG1 3.85Å; V64-H118 PolarHBondContact N-O 2.97Å; V64-V119 HydrophobicContact CB-CG1 4.13Å; V64-V119 HydrophobicContact CB-CG2 4.29Å; V64-V119 HydrophobicContact CG1-CG1 4.2Å; V64-V119 WeakPolarHBondContact O-CA 3.22Å; V64-Y120 WeakPolarHBondContact O-CD2 3.3Å; V64-Y120 PolarHBondContact O-N 3.31Å
65L94.5Very high93.4Very high100 Ų10053.4 Ų53.452%0.52432%0.321SS..EExtended strand (participates in β ladder)trans-120.2121.4170.2174.364.3000109.3I67 Y120 I122L65-I67 HydrophobicContact CD2-CG1 4.46Å; L65-I67 HydrophobicContact CG-CG1 4.33Å; L65-Y120 WeakPolarHBondContact CA-O 3.47Å; L65-I122 HydrophobicContact CD1-CD1 3.99Å; L65-I122 HydrophobicContact CD1-CG1 4.03Å
66E93.8Very high93.2Very high51 Ų5152.7 Ų52.724%0.23830%0.303CS..EExtended strand (participates in β ladder)trans-109.8122.2171.2-169.4174.5165.800110.4F69 G74 I75 Y120 G121 I122E66-F69 HydrophobicContact CB-CB 4.28Å; E66-F69 HydrophobicContact CG-CB 3.93Å; E66-F69 WeakPolarHBondContact OE1-CA 3.44Å; E66-G74 VanDerWaalsContact OE2-C 3.24Å; E66-G74 WeakPolarHBondContact OE2-CA 3.14Å; E66-I75 HydrophobicContact CB-CD1 4.1Å; E66-I75 HydrophobicContact CB-CG1 3.73Å; E66-I75 HydrophobicContact CG-CG1 4.32Å; E66-I75 WeakPolarHBondContact OE2-CG1 3.44Å; E66-I75 PolarHBondContact OE2-N 3.41Å; E66-Y120 PolarHBondContact N-O 3.46Å; E66-G121 WeakPolarHBondContact O-CA 3.5Å; E66-I122 PolarHBondContact O-N 2.94Å
67I92.6Very high93.1Very high132 Ų13251.4 Ų51.468%0.67729%0.29SS*.EExtended strand (participates in β ladder)trans-99.1127.9175.5-56.8175.6000108.3L65L65-I67 HydrophobicContact CD2-CG1 4.46Å; L65-I67 HydrophobicContact CG-CG1 4.33Å
68G91.3Very high93Very high46 Ų4646.3 Ų46.347%0.47426%0.263SS..SBendtrans71.444.7-175.500000112.2G70 I122G68-G70 PolarHBondContact O-N 3.19Å; G68-I122 PolarHBondContact N-O 3.43Å
69F91.5Very high92.8Very high7 Ų745.7 Ų45.73%0.03126%0.26CS..  trans-64.4-11.6-174.763.4-106.2000114.4E66 Q71 G72 I75 E123 L129 A132 L141E66-F69 HydrophobicContact CB-CB 4.28Å; E66-F69 HydrophobicContact CG-CB 3.93Å; E66-F69 WeakPolarHBondContact OE1-CA 3.44Å; F69-Q71 PolarHBondContact O-N 3.41Å; F69-G72 PolarHBondContact O-N 2.83Å; F69-I75 HydrophobicContact CB-CD1 3.39Å; F69-I75 HydrophobicContact CB-CG1 3.78Å; F69-I75 HydrophobicContact CD1-CD1 3.67Å; F69-I75 HydrophobicContact CD2-CD1 4.25Å; F69-I75 HydrophobicContact CE1-CD1 4.49Å; F69-I75 HydrophobicContact CG-CD1 3.52Å; F69-I75 HydrophobicContact CG-CG1 4.39Å; F69-E123 HydrophobicContact CD1-CB 3.75Å; F69-E123 HydrophobicContact CD2-CB 4.43Å; F69-E123 HydrophobicContact CE1-CB 3.23Å; F69-E123 HydrophobicContact CE1-CG 4.31Å; F69-E123 HydrophobicContact CE2-CB 3.94Å; F69-E123 HydrophobicContact CE2-CG 4.19Å; F69-E123 HydrophobicContact CG-CB 4.33Å; F69-E123 HydrophobicContact CZ-CB 3.33Å; F69-E123 HydrophobicContact CZ-CG 4Å; F69-E123 PolarHBondContact N-OE2 2.98Å; F69-L129 HydrophobicContact CZ-CB 4.38Å; F69-L129 HydrophobicContact CZ-CD1 4.1Å; F69-A132 HydrophobicContact CD2-CB 3.81Å; F69-A132 HydrophobicContact CE2-CB 3.37Å; F69-A132 HydrophobicContact CZ-CB 4.3Å; F69-L141 HydrophobicContact CD1-CD2 4.28Å; F69-L141 HydrophobicContact CE1-CB 4.4Å; F69-L141 HydrophobicContact CE1-CD2 3.91Å; F69-L141 HydrophobicContact CE2-CD1 4.5Å; F69-L141 HydrophobicContact CZ-CB 4.33Å; F69-L141 HydrophobicContact CZ-CD1 4.24Å; F69-L141 HydrophobicContact CZ-CD2 4.12Å; F69-L141 HydrophobicContact CZ-CG 4.47Å
70G90.1Very high92.7Very high12 Ų1244.8 Ų44.812%0.12426%0.258CS..THydrogen-bonded Turntrans56.3-125.2178.300000111.3G68 G72 E123 M128G68-G70 PolarHBondContact O-N 3.19Å; G70-G72 PolarHBondContact O-N 3.19Å; G70-E123 WeakPolarHBondContact CA-OE2 3.42Å; G70-E123 PolarHBondContact N-OE2 3.23Å; G70-M128 VanDerWaalsContact O-CB 3.29Å; G70-M128 WeakPolarHBondContact O-CB 3.34Å
71Q89.5Confident92.7Very high23 Ų2345.5 Ų45.511%0.10725%0.25CC..THydrogen-bonded Turntrans-75-8.6-178.767.5-177.418.700114.1Y37 K42 F69 D73 M128 K131 A132 Y135Y37-Q71 PolarHBondContact O-OE1 3.27Å; K42-Q71 VanDerWaalsContact CB-NE2 3.33Å; F69-Q71 PolarHBondContact O-N 3.41Å; Q71-D73 PolarHBondContact NE2-OD1 3.1Å; Q71-D73 PolarHBondContact NE2-OD2 2.76Å; Q71-M128 HydrophobicContact CB-SD 4.24Å; Q71-K131 HydrophobicContact CB-CB 4.44Å; Q71-A132 WeakPolarHBondContact O-CA 3.47Å; Q71-Y135 WeakPolarHBondContact O-CE2 3.44Å
72G91Very high92.7Very high0 Ų043.9 Ų43.90%023%0.234CC..SBendtrans98.616.2172.300000116.5F69 G70 Q76 Y135F69-G72 PolarHBondContact O-N 2.83Å; G70-G72 PolarHBondContact O-N 3.19Å; G72-Q76 WeakPolarHBondContact O-CB 3.1Å; G72-Q76 PolarHBondContact O-N 2.69Å; G72-Y135 VanDerWaalsContact C-CE2 3.48Å; G72-Y135 WeakPolarHBondContact O-CE2 3.35Å
73D90.8Very high92.6Very high27 Ų2740.9 Ų40.914%0.14422%0.218CC..Hα-helixtrans-66.1-40-177.2-64.3-20.3000112.5K42 T49 Q71 Q76 L77 Y135K42-D73 IonicContact NZ-OD1 3.94Å; T49-D73 HydrophobicContact CG2-CB 4.29Å; Q71-D73 PolarHBondContact NE2-OD1 3.1Å; Q71-D73 PolarHBondContact NE2-OD2 2.76Å; D73-Q76 PolarHBondContact O-N 3.29Å; D73-L77 WeakPolarHBondContact O-CG 3.33Å; D73-L77 PolarHBondContact O-N 3.46Å; D73-L77 VanDerWaalsContact O-N 3.08Å; D73-Y135 PolarHBondContact OD1-OH 2.94Å
74G92.7Very high92.6Very high3 Ų337.5 Ų37.53%0.03120%0.202CC..Hα-helixtrans-64.7-53.3177.800000111.4T49 E66 Q76 L77 A78T49-G74 VanDerWaalsContact CG2-CA 3.41Å; E66-G74 VanDerWaalsContact OE2-C 3.24Å; E66-G74 WeakPolarHBondContact OE2-CA 3.14Å; G74-Q76 VanDerWaalsContact C-N 3.25Å; G74-Q76 PolarHBondContact O-N 3.34Å; G74-L77 PolarHBondContact O-N 3.04Å; G74-A78 PolarHBondContact O-N 3.3Å
75I92.9Very high92.4Very high0 Ų039.8 Ų39.80%021%0.213CC..Hα-helixtrans-51.5-43.5173-68.2-166.2000112.3E66 F69 A78 V79 V119 L139 L141E66-I75 HydrophobicContact CB-CD1 4.1Å; E66-I75 HydrophobicContact CB-CG1 3.73Å; E66-I75 HydrophobicContact CG-CG1 4.32Å; E66-I75 WeakPolarHBondContact OE2-CG1 3.44Å; E66-I75 PolarHBondContact OE2-N 3.41Å; F69-I75 HydrophobicContact CB-CD1 3.39Å; F69-I75 HydrophobicContact CB-CG1 3.78Å; F69-I75 HydrophobicContact CD1-CD1 3.67Å; F69-I75 HydrophobicContact CD2-CD1 4.25Å; F69-I75 HydrophobicContact CE1-CD1 4.49Å; F69-I75 HydrophobicContact CG-CD1 3.52Å; F69-I75 HydrophobicContact CG-CG1 4.39Å; I75-A78 PolarHBondContact O-N 3.34Å; I75-V79 PolarHBondContact O-N 2.96Å; I75-V119 HydrophobicContact CB-CG1 4.12Å; I75-V119 HydrophobicContact CG1-CG1 4.08Å; I75-V119 HydrophobicContact CG2-CB 4.31Å; I75-V119 HydrophobicContact CG2-CG1 3.64Å; I75-L139 HydrophobicContact CG2-CB 4.39Å; I75-L139 HydrophobicContact CG2-CD1 3.46Å; I75-L139 VanDerWaalsContact CG2-CD1 3.46Å; I75-L139 HydrophobicContact CG2-CD2 3.15Å; I75-L139 HydrophobicContact CG2-CG 3.79Å; I75-L141 HydrophobicContact CD1-CD2 3.53Å
76Q92.1Very high92Very high72 Ų7235.8 Ų35.834%0.33619%0.192SC..Hα-helixtrans-63.7-42.9178.1-173.5-174.39.300111.6G72 D73 G74 V79 Y135G72-Q76 WeakPolarHBondContact O-CB 3.1Å; G72-Q76 PolarHBondContact O-N 2.69Å; D73-Q76 PolarHBondContact O-N 3.29Å; G74-Q76 VanDerWaalsContact C-N 3.25Å; G74-Q76 PolarHBondContact O-N 3.34Å; Q76-V79 VanDerWaalsContact O-CG1 3.32Å; Q76-V79 WeakPolarHBondContact O-CG1 3.32Å; Q76-Y135 HydrophobicContact CB-CD1 4.42Å; Q76-Y135 HydrophobicContact CB-CD2 4.23Å; Q76-Y135 HydrophobicContact CB-CE2 4.47Å; Q76-Y135 HydrophobicContact CB-CG 4.19Å; Q76-Y135 HydrophobicContact CG-CD1 4.1Å; Q76-Y135 HydrophobicContact CG-CG 4.22Å; Q76-Y135 VanDerWaalsContact OE1-CD1 3.26Å
77L93Very high91.8Very high55 Ų5533.8 Ų33.829%0.28818%0.184SC..Hα-helixtrans-66.7-43.3176.5-72.2168.3000111.1T49 A50 I53 D73 G74 V79 E80 Y81T49-L77 HydrophobicContact CG2-CD1 4.06Å; A50-L77 HydrophobicContact CB-CD1 4.35Å; I53-L77 HydrophobicContact CB-CB 4.45Å; I53-L77 HydrophobicContact CG1-CB 4.03Å; I53-L77 HydrophobicContact CG1-CD1 4.45Å; I53-L77 HydrophobicContact CG2-CB 4.18Å; D73-L77 WeakPolarHBondContact O-CG 3.33Å; D73-L77 PolarHBondContact O-N 3.46Å; D73-L77 VanDerWaalsContact O-N 3.08Å; G74-L77 PolarHBondContact O-N 3.04Å; L77-V79 VanDerWaalsContact C-N 3.29Å; L77-V79 PolarHBondContact O-N 3.49Å; L77-E80 PolarHBondContact O-N 3.48Å; L77-E80 VanDerWaalsContact O-N 3.16Å; L77-Y81 VanDerWaalsContact O-CD2 3.29Å; L77-Y81 WeakPolarHBondContact O-CD2 3.27Å
78A94.9Very high91.6Very high0 Ų032.3 Ų32.30%018%0.177CC..Hα-helixtrans-56.8-42.3177.800000112.1I53 L58 V64 G74 I75 E80 Y81 V82 V119I53-A78 HydrophobicContact CD1-CB 4.17Å; L58-A78 HydrophobicContact CD1-CB 3.86Å; V64-A78 HydrophobicContact CG1-CB 4.15Å; V64-A78 HydrophobicContact CG2-CB 4.46Å; G74-A78 PolarHBondContact O-N 3.3Å; I75-A78 PolarHBondContact O-N 3.34Å; A78-E80 VanDerWaalsContact C-N 3.27Å; A78-E80 PolarHBondContact O-N 3.39Å; A78-Y81 PolarHBondContact O-N 3.18Å; A78-Y81 VanDerWaalsContact O-N 3.1Å; A78-V82 WeakPolarHBondContact O-CG2 3.28Å; A78-V82 PolarHBondContact O-N 3.24Å; A78-V119 HydrophobicContact CB-CG1 4.25Å; A78-V119 HydrophobicContact CB-CG2 4Å
79V93.3Very high91.3Very high12 Ų1231.3 Ų31.37%0.07316%0.16CC..Hα-helixtrans-65.8-29.9-178.384.70000112.6I75 Q76 L77 Y81 A83 V87 V119 L138 L139I75-V79 PolarHBondContact O-N 2.96Å; Q76-V79 VanDerWaalsContact O-CG1 3.32Å; Q76-V79 WeakPolarHBondContact O-CG1 3.32Å; L77-V79 VanDerWaalsContact C-N 3.29Å; L77-V79 PolarHBondContact O-N 3.49Å; V79-Y81 VanDerWaalsContact C-N 3.29Å; V79-Y81 PolarHBondContact O-N 3.06Å; V79-A83 HydrophobicContact CG2-CB 3.97Å; V79-A83 PolarHBondContact O-N 2.91Å; V79-V87 HydrophobicContact CG1-CG2 4Å; V79-V87 HydrophobicContact CG2-CG2 4.28Å; V79-V119 HydrophobicContact CB-CG2 3.93Å; V79-V119 HydrophobicContact CG2-CG2 4.17Å; V79-L138 HydrophobicContact CG2-CB 3.92Å; V79-L138 HydrophobicContact CG2-CD1 4.17Å; V79-L139 HydrophobicContact CB-CD2 4.27Å; V79-L139 HydrophobicContact CG2-CD2 4.38Å
80E92.7Very high90.9Very high83 Ų8332.2 Ų32.239%0.38816%0.163SC..Hα-helixtrans-67-30.6175.2-62.3-160.314400112.5L77 A78 V87 K91L77-E80 PolarHBondContact O-N 3.48Å; L77-E80 VanDerWaalsContact O-N 3.16Å; A78-E80 VanDerWaalsContact C-N 3.27Å; A78-E80 PolarHBondContact O-N 3.39Å; E80-V87 HydrophobicContact CG-CG1 4.4Å; E80-K91 IonicContact OE1-NZ 3.63Å; E80-K91 PolarHBondContact OE1-NZ 2.85Å
81Y94.3Very high90.7Very high101 Ų10137.8 Ų37.840%0.39618%0.184SC..Hα-helixtrans-80.8-47.3175.8-74-76.8000112.6I53 D54 L58 P60 L77 A78 V79I53-Y81 HydrophobicContact CG2-CD2 3.78Å; I53-Y81 HydrophobicContact CG2-CE2 3.65Å; D54-Y81 PolarHBondContact OD1-OH 2.96Å; L58-Y81 HydrophobicContact CB-CG 4.37Å; P60-Y81 WeakPolarHBondContact CA-O 3.4Å; L77-Y81 VanDerWaalsContact O-CD2 3.29Å; L77-Y81 WeakPolarHBondContact O-CD2 3.27Å; A78-Y81 PolarHBondContact O-N 3.18Å; A78-Y81 VanDerWaalsContact O-N 3.1Å; V79-Y81 VanDerWaalsContact C-N 3.29Å; V79-Y81 PolarHBondContact O-N 3.06Å
82V94.3Very high90.5Very high0 Ų040.9 Ų40.90%021%0.208CC..Hα-helixtrans-88.5-25-168.4-51.40000113.9L58 G61 D62 V64 A78 G117 V119L58-V82 HydrophobicContact CB-CG1 4.05Å; L58-V82 HydrophobicContact CD1-CG1 4.23Å; G61-V82 PolarHBondContact N-O 3Å; D62-V82 HydrophobicContact CB-CB 4.49Å; D62-V82 HydrophobicContact CB-CG1 3.88Å; D62-V82 VanDerWaalsContact O-CB 3.23Å; D62-V82 WeakPolarHBondContact O-CB 3.27Å; V64-V82 HydrophobicContact CG2-CG1 3.85Å; A78-V82 WeakPolarHBondContact O-CG2 3.28Å; A78-V82 PolarHBondContact O-N 3.24Å; V82-G117 PolarHBondContact O-N 3.01Å; V82-V119 HydrophobicContact CG2-CG2 3.61Å
83A92.8Very high89.9Confident4 Ų443.3 Ų43.33%0.03323%0.225CC..  trans-127.552.9-177.300000113.6V79 I85 T86 V87 D116V79-A83 HydrophobicContact CG2-CB 3.97Å; V79-A83 PolarHBondContact O-N 2.91Å; A83-I85 VanDerWaalsContact C-N 3.32Å; A83-I85 PolarHBondContact O-N 3.41Å; A83-T86 PolarHBondContact O-N 3.43Å; A83-V87 WeakPolarHBondContact O-CG2 3.36Å; A83-V87 PolarHBondContact O-N 3.5Å; A83-D116 HydrophobicContact CB-CB 3.75Å
84P92Very high89.3Confident36 Ų3648.8 Ų48.823%0.23424%0.244CC..Hα-helixtrans-63.7-33.4-171.726.8-35.9000113.2P60 N88 D116P60-P84 HydrophobicContact CB-CG 4.04Å; P60-P84 HydrophobicContact CG-CG 4.12Å; P84-N88 VanDerWaalsContact O-CB 3.27Å; P84-N88 WeakPolarHBondContact O-CB 3.21Å; P84-N88 PolarHBondContact O-N 3.27Å; P84-N88 PolarHBondContact O-ND2 3.39Å; P84-N88 VanDerWaalsContact O-ND2 3.15Å; P84-D116 WeakPolarHBondContact CD-OD1 3.14Å
85I90Very high88.6Confident72 Ų7254.9 Ų54.937%0.36927%0.274SS..Hα-helixtrans-67.3-44.7-179.6-57174.5000109.7A83 N88 H89 F113 D116A83-I85 VanDerWaalsContact C-N 3.32Å; A83-I85 PolarHBondContact O-N 3.41Å; I85-N88 PolarHBondContact O-N 2.9Å; I85-H89 WeakPolarHBondContact O-CB 3.45Å; I85-H89 PolarHBondContact O-N 2.91Å; I85-F113 HydrophobicContact CB-CD1 4.38Å; I85-F113 HydrophobicContact CG2-CD1 3.89Å; I85-F113 HydrophobicContact CG2-CE1 4.08Å; I85-D116 WeakPolarHBondContact CB-OD2 3.34Å; I85-D116 PolarHBondContact N-OD1 2.94Å; I85-D116 PolarHBondContact N-OD2 2.91Å
86T87Confident87.8Confident16 Ų1660.2 Ų60.210%0.09830%0.297CS..Hα-helixtrans-66.7-44.1179.9-55.30000110.3A83 H89 W90 F97 F113 D116 L138A83-T86 PolarHBondContact O-N 3.43Å; T86-H89 PolarHBondContact O-N 2.95Å; T86-W90 WeakPolarHBondContact O-CB 3.37Å; T86-W90 PolarHBondContact O-N 3.24Å; T86-F97 HydrophobicContact CG2-CE2 3.58Å; T86-F97 HydrophobicContact CG2-CZ 3.71Å; T86-F113 HydrophobicContact CG2-CD1 4.38Å; T86-F113 WeakPolarHBondContact OG1-CD1 3.47Å; T86-F113 WeakPolarHBondContact OG1-CG 3.48Å; T86-D116 WeakPolarHBondContact CA-OD2 3.4Å; T86-D116 WeakPolarHBondContact CB-OD2 3.46Å; T86-D116 PolarHBondContact N-OD2 3.49Å; T86-D116 PolarHBondContact OG1-OD2 3.23Å; T86-L138 HydrophobicContact CG2-CD1 4.27Å; T86-L138 HydrophobicContact CG2-CD2 3.29Å; T86-L138 HydrophobicContact CG2-CG 4.36Å
87V88.5Confident86.9Confident9 Ų957 Ų576%0.05528%0.282CS..Hα-helixtrans-61.5-44.7175.2169.80000111.4V79 E80 A83 W90 K91 L138V79-V87 HydrophobicContact CG1-CG2 4Å; V79-V87 HydrophobicContact CG2-CG2 4.28Å; E80-V87 HydrophobicContact CG-CG1 4.4Å; A83-V87 WeakPolarHBondContact O-CG2 3.36Å; A83-V87 PolarHBondContact O-N 3.5Å; V87-W90 PolarHBondContact O-N 3.33Å; V87-K91 HydrophobicContact CG1-CD 3.93Å; V87-K91 HydrophobicContact CG1-CG 4.42Å; V87-K91 WeakPolarHBondContact O-CB 3.41Å; V87-K91 WeakPolarHBondContact O-CG 3.14Å; V87-K91 PolarHBondContact O-N 3.39Å; V87-L138 HydrophobicContact CG2-CD1 3.66Å
88N88.4Confident86Confident101 Ų10158.5 Ų58.554%0.5429%0.29SS..Hα-helixtrans-65.1-40.2177.8-73.5-23.8000112P84 I85 K91 S92P84-N88 VanDerWaalsContact O-CB 3.27Å; P84-N88 WeakPolarHBondContact O-CB 3.21Å; P84-N88 PolarHBondContact O-N 3.27Å; P84-N88 PolarHBondContact O-ND2 3.39Å; P84-N88 VanDerWaalsContact O-ND2 3.15Å; I85-N88 PolarHBondContact O-N 2.9Å; N88-K91 PolarHBondContact O-N 3.1Å; N88-S92 WeakPolarHBondContact O-CB 3.5Å; N88-S92 PolarHBondContact O-N 2.78Å; N88-S92 PolarHBondContact O-OG 3.16Å
89H85.4Confident84.9Confident24 Ų2462.9 Ų62.911%0.11131%0.313CS..Hα-helixtrans-64.3-42.1174.8-168.859.7000111.8I85 T86 S92 S93 F97 E100 K112 F113I85-H89 WeakPolarHBondContact O-CB 3.45Å; I85-H89 PolarHBondContact O-N 2.91Å; T86-H89 PolarHBondContact O-N 2.95Å; H89-S92 WeakPolarHBondContact CA-OG 3.4Å; H89-S92 PolarHBondContact O-N 3.32Å; H89-S92 PolarHBondContact O-OG 3.48Å; H89-S93 PolarHBondContact O-N 2.94Å; H89-S93 VanDerWaalsContact O-N 3.09Å; H89-F97 HydrophobicContact CB-CD2 4.47Å; H89-F97 AromaticContact CD2-CD2 3.47Å; H89-F97 VanDerWaalsContact CD2-CD2 3.47Å; H89-F97 WeakPolarHBondContact CD2-CD2 3.46Å; H89-E100 IonicContact CD2-OE2 2.77Å; H89-E100 IonicContact CE1-OE2 3.68Å; H89-E100 IonicContact NE2-OE1 3.73Å; H89-E100 IonicContact NE2-OE2 2.72Å; H89-E100 PolarHBondContact NE2-OE2 3.48Å; H89-K112 PolarHBondContact CE1-NZ 3.02Å; H89-K112 PolarHBondContact ND1-NZ 3.41Å; H89-K112 VanDerWaalsContact ND1-NZ 3.11Å; H89-K112 PolarHBondContact NE2-NZ 3.29Å; H89-F113 HydrophobicContact CB-CE1 3.96Å; H89-F113 HydrophobicContact CB-CZ 4.17Å; H89-F113 AromaticContact CD2-CZ 3.57Å
90W83.3Confident83.8Confident27 Ų2764.3 Ų64.310%0.10232%0.319CS..Hα-helixtrans-61.4-45.2173.9174.7-106000112.9T86 V87 R94 F97 I98 P137T86-W90 WeakPolarHBondContact O-CB 3.37Å; T86-W90 PolarHBondContact O-N 3.24Å; V87-W90 PolarHBondContact O-N 3.33Å; W90-R94 HydrophobicContact CD2-CG 3.79Å; W90-R94 VanDerWaalsContact CE2-NE 3.3Å; W90-R94 HydrophobicContact CE3-CG 3.9Å; W90-R94 HydrophobicContact CH2-CG 3.67Å; W90-R94 HydrophobicContact CZ2-CG 3.57Å; W90-R94 HydrophobicContact CZ3-CG 3.84Å; W90-R94 PolarHBondContact O-N 3.34Å; W90-F97 HydrophobicContact CB-CD2 4.11Å; W90-F97 HydrophobicContact CB-CE2 4.43Å; W90-F97 HydrophobicContact CB-CG 4.48Å; W90-F97 HydrophobicContact CD2-CD1 4.49Å; W90-F97 HydrophobicContact CE3-CB 3.7Å; W90-F97 AromaticContact CE3-CD1 3.3Å; W90-F97 HydrophobicContact CE3-CD1 3.3Å; W90-F97 HydrophobicContact CE3-CD2 4.21Å; W90-F97 AromaticContact CE3-CE1 3.98Å; W90-F97 HydrophobicContact CE3-CE1 3.98Å; W90-F97 AromaticContact CE3-CG 3.48Å; W90-F97 HydrophobicContact CE3-CG 3.48Å; W90-F97 VanDerWaalsContact CE3-CG 3.48Å; W90-F97 HydrophobicContact CZ3-CB 4.19Å; W90-F97 AromaticContact CZ3-CD1 3.58Å; W90-F97 HydrophobicContact CZ3-CD1 3.58Å; W90-F97 HydrophobicContact CZ3-CE1 4.32Å; W90-F97 HydrophobicContact CZ3-CG 4.1Å; W90-I98 HydrophobicContact CH2-CD1 4.18Å; W90-I98 HydrophobicContact CH2-CG1 4.08Å; W90-I98 HydrophobicContact CZ3-CD1 4.28Å; W90-I98 HydrophobicContact CZ3-CG1 3.73Å; W90-P137 HydrophobicContact CE3-CG 3.96Å; W90-P137 HydrophobicContact CH2-CG 3.83Å; W90-P137 VanDerWaalsContact CZ3-CD 3.4Å; W90-P137 HydrophobicContact CZ3-CG 3.48Å; W90-P137 VanDerWaalsContact CZ3-CG 3.48Å
91K85.1Confident82.6Confident129 Ų12963.6 Ų63.656%0.56132%0.318SS*.Hα-helixtrans-65.8-39.1179.6-75.6176.4-179.9172.10111.9E80 V87 N88E80-K91 IonicContact OE1-NZ 3.63Å; E80-K91 PolarHBondContact OE1-NZ 2.85Å; V87-K91 HydrophobicContact CG1-CD 3.93Å; V87-K91 HydrophobicContact CG1-CG 4.42Å; V87-K91 WeakPolarHBondContact O-CB 3.41Å; V87-K91 WeakPolarHBondContact O-CG 3.14Å; V87-K91 PolarHBondContact O-N 3.39Å; N88-K91 PolarHBondContact O-N 3.1Å
92S85.5Confident81.4Confident88 Ų8864.4 Ų64.462%0.61533%0.333SS*.Hα-helixtrans-74.7-35.8-178.957.80000113.7N88 H89N88-S92 WeakPolarHBondContact O-CB 3.5Å; N88-S92 PolarHBondContact O-N 2.78Å; N88-S92 PolarHBondContact O-OG 3.16Å; H89-S92 WeakPolarHBondContact CA-OG 3.4Å; H89-S92 PolarHBondContact O-N 3.32Å; H89-S92 PolarHBondContact O-OG 3.48Å
93S80.1Confident79.9Confident51 Ų5170 Ų7036%0.35736%0.361SS..  trans-153.476.2-175.5-142.20000112.8H89 I95 K96 F97H89-S93 PolarHBondContact O-N 2.94Å; H89-S93 VanDerWaalsContact O-N 3.09Å; S93-I95 PolarHBondContact O-N 3.05Å; S93-K96 PolarHBondContact O-N 3.27Å; S93-K96 VanDerWaalsContact O-N 3.17Å; S93-F97 PolarHBondContact O-N 2.95Å
94R77.8Confident77.9Confident141 Ų14171.6 Ų71.653%0.53237%0.373SS..Hα-helixtrans-55-47-176.1-136.6174.2-169.91470.2113.5W90 F97 I98W90-R94 HydrophobicContact CD2-CG 3.79Å; W90-R94 VanDerWaalsContact CE2-NE 3.3Å; W90-R94 HydrophobicContact CE3-CG 3.9Å; W90-R94 HydrophobicContact CH2-CG 3.67Å; W90-R94 HydrophobicContact CZ2-CG 3.57Å; W90-R94 HydrophobicContact CZ3-CG 3.84Å; W90-R94 PolarHBondContact O-N 3.34Å; R94-F97 WeakPolarHBondContact O-CB 3.41Å; R94-F97 PolarHBondContact O-N 2.83Å; R94-I98 WeakPolarHBondContact O-CG1 3.29Å; R94-I98 PolarHBondContact O-N 2.98Å
95I77.7Confident75.8Confident131 Ų13175.8 Ų75.867%0.67240%0.397SS*.Hα-helixtrans-63.7-44.2179.6-64.5171.7000110.3S93 F97 I98 L99S93-I95 PolarHBondContact O-N 3.05Å; I95-F97 PolarHBondContact O-N 3.23Å; I95-I98 PolarHBondContact O-N 2.9Å; I95-L99 HydrophobicContact CG2-CD1 3.83Å; I95-L99 PolarHBondContact O-N 3.46Å
96K75Confident73.9Confident112 Ų11277 Ų7749%0.48741%0.413SS..Hα-helixtrans-63.5-41.9178-165.9179-177.8177.80111.3S93 I98 L99 E100S93-K96 PolarHBondContact O-N 3.27Å; S93-K96 VanDerWaalsContact O-N 3.17Å; K96-I98 PolarHBondContact O-N 3.33Å; K96-L99 PolarHBondContact O-N 2.88Å; K96-E100 WeakPolarHBondContact CE-OE1 3.47Å; K96-E100 HydrophobicContact CG-CG 4.34Å; K96-E100 WeakPolarHBondContact CG-OE1 3.47Å; K96-E100 VanDerWaalsContact O-CB 3.3Å; K96-E100 WeakPolarHBondContact O-CB 3.43Å; K96-E100 WeakPolarHBondContact O-CG 3.36Å; K96-E100 PolarHBondContact O-N 3.14Å
97F74.4Confident71.9Confident4 Ų481.1 Ų81.12%0.01844%0.438CS..Hα-helixtrans-59.1-46.8175-170-79000111.9T86 H89 W90 S93 R94 I95 E100 N101 F113 P137 L138T86-F97 HydrophobicContact CG2-CE2 3.58Å; T86-F97 HydrophobicContact CG2-CZ 3.71Å; H89-F97 HydrophobicContact CB-CD2 4.47Å; H89-F97 AromaticContact CD2-CD2 3.47Å; H89-F97 VanDerWaalsContact CD2-CD2 3.47Å; H89-F97 WeakPolarHBondContact CD2-CD2 3.46Å; W90-F97 HydrophobicContact CB-CD2 4.11Å; W90-F97 HydrophobicContact CB-CE2 4.43Å; W90-F97 HydrophobicContact CB-CG 4.48Å; W90-F97 HydrophobicContact CD2-CD1 4.49Å; W90-F97 HydrophobicContact CE3-CB 3.7Å; W90-F97 AromaticContact CE3-CD1 3.3Å; W90-F97 HydrophobicContact CE3-CD1 3.3Å; W90-F97 HydrophobicContact CE3-CD2 4.21Å; W90-F97 AromaticContact CE3-CE1 3.98Å; W90-F97 HydrophobicContact CE3-CE1 3.98Å; W90-F97 AromaticContact CE3-CG 3.48Å; W90-F97 HydrophobicContact CE3-CG 3.48Å; W90-F97 VanDerWaalsContact CE3-CG 3.48Å; W90-F97 HydrophobicContact CZ3-CB 4.19Å; W90-F97 AromaticContact CZ3-CD1 3.58Å; W90-F97 HydrophobicContact CZ3-CD1 3.58Å; W90-F97 HydrophobicContact CZ3-CE1 4.32Å; W90-F97 HydrophobicContact CZ3-CG 4.1Å; S93-F97 PolarHBondContact O-N 2.95Å; R94-F97 WeakPolarHBondContact O-CB 3.41Å; R94-F97 PolarHBondContact O-N 2.83Å; I95-F97 PolarHBondContact O-N 3.23Å; F97-E100 PolarHBondContact O-N 3.06Å; F97-N101 WeakPolarHBondContact CD1-ND2 3.41Å; F97-N101 WeakPolarHBondContact CE1-ND2 3.28Å; F97-N101 VanDerWaalsContact CZ-ND2 3.35Å; F97-N101 WeakPolarHBondContact CZ-ND2 3.23Å; F97-N101 PolarHBondContact O-N 3.47Å; F97-N101 PolarHBondContact O-ND2 3.42Å; F97-F113 HydrophobicContact CE2-CZ 4.46Å; F97-P137 HydrophobicContact CD1-CG 3.8Å; F97-P137 HydrophobicContact CE1-CB 4.28Å; F97-P137 HydrophobicContact CE1-CG 3.4Å; F97-P137 HydrophobicContact CZ-CG 4.47Å; F97-L138 HydrophobicContact CE1-CD2 3.85Å; F97-L138 HydrophobicContact CE2-CD2 4.03Å; F97-L138 HydrophobicContact CZ-CD2 3.31Å
98I73.2Confident69.8Low87 Ų8787.4 Ų87.445%0.44647%0.47SS..Hα-helixtrans-61.6-50.2178.6-65.3168.4000110W90 R94 I95 K96 E100 N101 V102W90-I98 HydrophobicContact CH2-CD1 4.18Å; W90-I98 HydrophobicContact CH2-CG1 4.08Å; W90-I98 HydrophobicContact CZ3-CD1 4.28Å; W90-I98 HydrophobicContact CZ3-CG1 3.73Å; R94-I98 WeakPolarHBondContact O-CG1 3.29Å; R94-I98 PolarHBondContact O-N 2.98Å; I95-I98 PolarHBondContact O-N 2.9Å; K96-I98 PolarHBondContact O-N 3.33Å; I98-E100 VanDerWaalsContact C-N 3.33Å; I98-E100 PolarHBondContact O-N 3.31Å; I98-N101 PolarHBondContact O-N 2.83Å; I98-V102 HydrophobicContact CG2-CG2 4.22Å; I98-V102 VanDerWaalsContact O-CG2 3.28Å; I98-V102 WeakPolarHBondContact O-CG2 3.28Å; I98-V102 PolarHBondContact O-N 2.97Å
99L72.4Confident68.1Low92 Ų9284.2 Ų84.248%0.48245%0.452SS..Hα-helixtrans-56.8-46.6177.2-84.9157.3000111.7I95 K96 N101 V102 I103I95-L99 HydrophobicContact CG2-CD1 3.83Å; I95-L99 PolarHBondContact O-N 3.46Å; K96-L99 PolarHBondContact O-N 2.88Å; L99-N101 VanDerWaalsContact C-N 3.33Å; L99-N101 PolarHBondContact O-N 2.78Å; L99-V102 PolarHBondContact O-N 3.15Å; L99-I103 HydrophobicContact CB-CD1 4.35Å; L99-I103 HydrophobicContact CD2-CD1 3.55Å; L99-I103 VanDerWaalsContact O-CB 3.27Å; L99-I103 WeakPolarHBondContact O-CB 3.37Å; L99-I103 VanDerWaalsContact O-CG1 3.27Å; L99-I103 WeakPolarHBondContact O-CG1 3.5Å; L99-I103 PolarHBondContact O-N 3.22Å
100E69.3Low66.7Low42 Ų4286.2 Ų86.220%0.19647%0.468CS..Hα-helixtrans-61.4-39.6178.7-75.4173.1-177.200111.7H89 K96 F97 I98 S104 Q109H89-E100 IonicContact CD2-OE2 2.77Å; H89-E100 IonicContact CE1-OE2 3.68Å; H89-E100 IonicContact NE2-OE1 3.73Å; H89-E100 IonicContact NE2-OE2 2.72Å; H89-E100 PolarHBondContact NE2-OE2 3.48Å; K96-E100 WeakPolarHBondContact CE-OE1 3.47Å; K96-E100 HydrophobicContact CG-CG 4.34Å; K96-E100 WeakPolarHBondContact CG-OE1 3.47Å; K96-E100 VanDerWaalsContact O-CB 3.3Å; K96-E100 WeakPolarHBondContact O-CB 3.43Å; K96-E100 WeakPolarHBondContact O-CG 3.36Å; K96-E100 PolarHBondContact O-N 3.14Å; F97-E100 PolarHBondContact O-N 3.06Å; I98-E100 VanDerWaalsContact C-N 3.33Å; I98-E100 PolarHBondContact O-N 3.31Å; E100-S104 WeakPolarHBondContact O-CA 3.43Å; E100-S104 WeakPolarHBondContact O-CB 3.2Å; E100-S104 PolarHBondContact O-N 3.24Å; E100-S104 PolarHBondContact O-OG 2.63Å; E100-Q109 VanDerWaalsContact C-NE2 3.33Å; E100-Q109 PolarHBondContact O-NE2 3.36Å
101N67.6Low65.7Low69 Ų6990.6 Ų90.637%0.36949%0.494SS..Hα-helixtrans-77.3-25.8178.8-78.3-85.5000114.1F97 I98 L99 Q109F97-N101 WeakPolarHBondContact CD1-ND2 3.41Å; F97-N101 WeakPolarHBondContact CE1-ND2 3.28Å; F97-N101 VanDerWaalsContact CZ-ND2 3.35Å; F97-N101 WeakPolarHBondContact CZ-ND2 3.23Å; F97-N101 PolarHBondContact O-N 3.47Å; F97-N101 PolarHBondContact O-ND2 3.42Å; I98-N101 PolarHBondContact O-N 2.83Å; L99-N101 VanDerWaalsContact C-N 3.33Å; L99-N101 PolarHBondContact O-N 2.78Å; N101-Q109 PolarHBondContact ND2-NE2 3.36Å; N101-Q109 PolarHBondContact OD1-NE2 2.99Å; N101-Q109 PolarHBondContact OD1-OE1 3.23Å
102V69.9Low65.1Low117 Ų11789.1 Ų89.171%0.70949%0.487SS*.Hα-helixtrans-80.6-38.6176.1173.70000111I98 L99I98-V102 HydrophobicContact CG2-CG2 4.22Å; I98-V102 VanDerWaalsContact O-CG2 3.28Å; I98-V102 WeakPolarHBondContact O-CG2 3.28Å; I98-V102 PolarHBondContact O-N 2.97Å; L99-V102 PolarHBondContact O-N 3.15Å
103I61.9Low64.9Low117 Ų11786.1 Ų86.160%0.646%0.463SS*.Hα-helixtrans-94.5-32.5-171.4-59.4170.1000112L99 T105L99-I103 HydrophobicContact CB-CD1 4.35Å; L99-I103 HydrophobicContact CD2-CD1 3.55Å; L99-I103 VanDerWaalsContact O-CB 3.27Å; L99-I103 WeakPolarHBondContact O-CB 3.37Å; L99-I103 VanDerWaalsContact O-CG1 3.27Å; L99-I103 WeakPolarHBondContact O-CG1 3.5Å; L99-I103 PolarHBondContact O-N 3.22Å; I103-T105 PolarHBondContact O-N 3.12Å; I103-T105 VanDerWaalsContact O-N 3.1Å
104S52.3Low64.9Low39 Ų3990.5 Ų90.527%0.27348%0.476SS..  trans-81.2102.1-174.4-510000110.8E100 S106E100-S104 WeakPolarHBondContact O-CA 3.43Å; E100-S104 WeakPolarHBondContact O-CB 3.2Å; E100-S104 PolarHBondContact O-N 3.24Å; E100-S104 PolarHBondContact O-OG 2.63Å; S104-S106 PolarHBondContact O-N 3.49Å
105T46.5Very low65.3Low123 Ų12388.8 Ų88.876%0.75548%0.477SS*.  trans-59.897.3158400000109.6I103 T107I103-T105 PolarHBondContact O-N 3.12Å; I103-T105 VanDerWaalsContact O-N 3.1Å; T105-T107 VanDerWaalsContact C-N 3.31Å; T105-T107 PolarHBondContact O-N 3.08Å
106S50.9Low65.9Low99 Ų9983.2 Ų83.269%0.69245%0.448SS*.SBendtrans52.5-27.2154.257.20000122.5S104S104-S106 PolarHBondContact O-N 3.49Å
107T44.6Very low66.7Low101 Ų10178.1 Ų78.162%0.6243%0.428SS*.Hα-helixtrans-101.9-35.7-163.6-27.60000114.8T105 S110T105-T107 VanDerWaalsContact C-N 3.31Å; T105-T107 PolarHBondContact O-N 3.08Å; T107-S110 PolarHBondContact O-OG 2.85Å
108I44.3Very low67.4Low142 Ų14281.8 Ų81.873%0.72845%0.445SS*.Hα-helixtrans-77.6-32.6-176.5-62.2175.1000111.5
109Q52.6Low68.3Low34 Ų3477.7 Ų77.716%0.15942%0.424CS..Hα-helixtrans-77-29.6178.6-76.6-171.4-16.100113.5E100 N101 N111 K112 F113E100-Q109 VanDerWaalsContact C-NE2 3.33Å; E100-Q109 PolarHBondContact O-NE2 3.36Å; N101-Q109 PolarHBondContact ND2-NE2 3.36Å; N101-Q109 PolarHBondContact OD1-NE2 2.99Å; N101-Q109 PolarHBondContact OD1-OE1 3.23Å; Q109-N111 PolarHBondContact O-N 3.46Å; Q109-K112 PolarHBondContact O-N 3.45Å; Q109-F113 HydrophobicContact CB-CD2 4.33Å; Q109-F113 HydrophobicContact CB-CE2 4.48Å; Q109-F113 HydrophobicContact CG-CE2 4.27Å; Q109-F113 PolarHBondContact O-N 2.89Å
110S55.9Low69.2Low65 Ų6577.2 Ų77.246%0.45542%0.416SS..Hα-helixtrans-59.3-35.3-173.9740000111.9T107 K114T107-S110 PolarHBondContact O-OG 2.85Å; S110-K114 VanDerWaalsContact O-CA 3.25Å; S110-K114 WeakPolarHBondContact O-CA 3.17Å; S110-K114 WeakPolarHBondContact O-CB 3.49Å; S110-K114 PolarHBondContact O-N 2.76Å
111N62.5Low70.4Confident120 Ų12075.2 Ų75.264%0.64241%0.407SS*.Hα-helixtrans-80.6-36.5178.6-83.2-27.9000113.8Q109 F113 K114Q109-N111 PolarHBondContact O-N 3.46Å; N111-F113 VanDerWaalsContact C-N 3.31Å; N111-F113 PolarHBondContact O-N 2.8Å; N111-K114 PolarHBondContact O-N 2.91Å
112K73.7Confident71.6Confident97 Ų9774 Ų7442%0.42240%0.4SS..Hα-helixtrans-66.9-34.8-176.2-173.8176175.2-174.30112.3H89 Q109H89-K112 PolarHBondContact CE1-NZ 3.02Å; H89-K112 PolarHBondContact ND1-NZ 3.41Å; H89-K112 VanDerWaalsContact ND1-NZ 3.11Å; H89-K112 PolarHBondContact NE2-NZ 3.29Å; Q109-K112 PolarHBondContact O-N 3.45Å
113F81Confident72.7Confident26 Ų2669.1 Ų69.111%0.11437%0.37CS..THydrogen-bonded Turntrans-112.716.9-178.8-50.9-62.4000112.4I85 T86 H89 F97 Q109 N111 N115 D116I85-F113 HydrophobicContact CB-CD1 4.38Å; I85-F113 HydrophobicContact CG2-CD1 3.89Å; I85-F113 HydrophobicContact CG2-CE1 4.08Å; T86-F113 HydrophobicContact CG2-CD1 4.38Å; T86-F113 WeakPolarHBondContact OG1-CD1 3.47Å; T86-F113 WeakPolarHBondContact OG1-CG 3.48Å; H89-F113 HydrophobicContact CB-CE1 3.96Å; H89-F113 HydrophobicContact CB-CZ 4.17Å; H89-F113 AromaticContact CD2-CZ 3.57Å; F97-F113 HydrophobicContact CE2-CZ 4.46Å; Q109-F113 HydrophobicContact CB-CD2 4.33Å; Q109-F113 HydrophobicContact CB-CE2 4.48Å; Q109-F113 HydrophobicContact CG-CE2 4.27Å; Q109-F113 PolarHBondContact O-N 2.89Å; N111-F113 VanDerWaalsContact C-N 3.31Å; N111-F113 PolarHBondContact O-N 2.8Å; F113-N115 PolarHBondContact O-N 3.39Å; F113-D116 WeakPolarHBondContact O-CB 3.24Å; F113-D116 PolarHBondContact O-N 3.43Å
114K79.9Confident74.2Confident143 Ų14366.7 Ų66.762%0.62236%0.357SS*.THydrogen-bonded Turntrans-60.2-26.2-171.791.1-177.7-174.8173.20114.3S110 N111S110-K114 VanDerWaalsContact O-CA 3.25Å; S110-K114 WeakPolarHBondContact O-CA 3.17Å; S110-K114 WeakPolarHBondContact O-CB 3.49Å; S110-K114 PolarHBondContact O-N 2.76Å; N111-K114 PolarHBondContact O-N 2.91Å
115N85.6Confident76Confident105 Ų10564.9 Ų64.956%0.56134%0.344SS*.THydrogen-bonded Turntrans-94.4-3.5-177.6-64.1-16.5000112.1G61 F113G61-N115 WeakPolarHBondContact CA-O 3.29Å; G61-N115 PolarHBondContact N-O 3.37Å; F113-N115 PolarHBondContact O-N 3.39Å
116D90Very high78.1Confident13 Ų1363.6 Ų63.67%0.0733%0.33CS..  trans-86.1141.4174.3-79.1-4.5000110A83 P84 I85 T86 F113A83-D116 HydrophobicContact CB-CB 3.75Å; P84-D116 WeakPolarHBondContact CD-OD1 3.14Å; I85-D116 WeakPolarHBondContact CB-OD2 3.34Å; I85-D116 PolarHBondContact N-OD1 2.94Å; I85-D116 PolarHBondContact N-OD2 2.91Å; T86-D116 WeakPolarHBondContact CA-OD2 3.4Å; T86-D116 WeakPolarHBondContact CB-OD2 3.46Å; T86-D116 PolarHBondContact N-OD2 3.49Å; T86-D116 PolarHBondContact OG1-OD2 3.23Å; F113-D116 WeakPolarHBondContact O-CB 3.24Å; F113-D116 PolarHBondContact O-N 3.43Å
117G91.5Very high80.1Confident5 Ų559.9 Ų59.95%0.05230%0.301CS..  trans-81.3-179.9174.300000112.6G61 D62 V82G61-G117 WeakPolarHBondContact O-CA 3.35Å; D62-G117 VanDerWaalsContact O-CA 3.29Å; D62-G117 WeakPolarHBondContact O-CA 3.35Å; V82-G117 PolarHBondContact O-N 3.01Å
118H90.3Very high82.3Confident82 Ų8255.1 Ų55.138%0.3827%0.272SS..  trans-121.7141.3177.7-64.5-56.2000111.9N63 V64 Y120N63-H118 CarbonylContact C-O 3.56Å; N63-H118 VanDerWaalsContact CA-O 3.31Å; N63-H118 WeakPolarHBondContact CA-O 3.47Å; N63-H118 WeakPolarHBondContact OD1-CB 3.08Å; N63-H118 PolarHBondContact OD1-N 2.9Å; V64-H118 PolarHBondContact N-O 2.97Å; H118-Y120 HydrophobicContact CB-CD2 4.27Å; H118-Y120 HydrophobicContact CB-CE2 3.47Å; H118-Y120 VanDerWaalsContact CB-CE2 3.47Å
119V91.9Very high84.5Confident1 Ų148.5 Ų48.51%0.00624%0.238CC..EExtended strand (participates in β ladder)trans-107.5123.4170-168.20000109.9V64 I75 A78 V79 V82 L139 K140V64-V119 HydrophobicContact CB-CG1 4.13Å; V64-V119 HydrophobicContact CB-CG2 4.29Å; V64-V119 HydrophobicContact CG1-CG1 4.2Å; V64-V119 WeakPolarHBondContact O-CA 3.22Å; I75-V119 HydrophobicContact CB-CG1 4.12Å; I75-V119 HydrophobicContact CG1-CG1 4.08Å; I75-V119 HydrophobicContact CG2-CB 4.31Å; I75-V119 HydrophobicContact CG2-CG1 3.64Å; A78-V119 HydrophobicContact CB-CG1 4.25Å; A78-V119 HydrophobicContact CB-CG2 4Å; V79-V119 HydrophobicContact CB-CG2 3.93Å; V79-V119 HydrophobicContact CG2-CG2 4.17Å; V82-V119 HydrophobicContact CG2-CG2 3.61Å; V119-L139 HydrophobicContact CB-CD2 4.23Å; V119-K140 PolarHBondContact O-N 2.94Å
120Y92.2Very high86.3Confident81 Ų8153.1 Ų53.132%0.31826%0.259SS..EExtended strand (participates in β ladder)trans-107.3140.7177.6-58.1-92.5000109.4N63 V64 L65 E66 H118 K140N63-Y120 HydrophobicContact CB-CE2 4.47Å; V64-Y120 WeakPolarHBondContact O-CD2 3.3Å; V64-Y120 PolarHBondContact O-N 3.31Å; L65-Y120 WeakPolarHBondContact CA-O 3.47Å; E66-Y120 PolarHBondContact N-O 3.46Å; H118-Y120 HydrophobicContact CB-CD2 4.27Å; H118-Y120 HydrophobicContact CB-CE2 3.47Å; H118-Y120 VanDerWaalsContact CB-CE2 3.47Å; Y120-K140 WeakPolarHBondContact CA-O 3.15Å; Y120-K140 HydrophobicContact CD1-CB 3.75Å; Y120-K140 HydrophobicContact CD1-CD 4.11Å; Y120-K140 HydrophobicContact CE1-CB 4.07Å; Y120-K140 HydrophobicContact CE1-CD 3.52Å; Y120-K140 HydrophobicContact CE1-CG 4.44Å
121G93.3Very high87.9Confident1 Ų153.3 Ų53.31%0.0125%0.252CS..EExtended strand (participates in β ladder)trans-129.9134.1177.800000111.7E66 K140 L141 I142E66-G121 WeakPolarHBondContact O-CA 3.5Å; G121-K140 PolarHBondContact N-O 3.49Å; G121-L141 WeakPolarHBondContact O-CA 2.92Å; G121-I142 PolarHBondContact O-N 2.92Å
122I93.7Very high89.1Confident43 Ų4347.6 Ų47.622%0.22122%0.222CC..EExtended strand (participates in β ladder)trans-116.9128.7170.7-62.7175.6000108.8L65 E66 G68 I142 L144L65-I122 HydrophobicContact CD1-CD1 3.99Å; L65-I122 HydrophobicContact CD1-CG1 4.03Å; E66-I122 PolarHBondContact O-N 2.94Å; G68-I122 PolarHBondContact N-O 3.43Å; I122-I142 WeakPolarHBondContact CA-O 3.42Å; I122-L144 HydrophobicContact CG2-CD1 3.45Å; I122-L144 VanDerWaalsContact CG2-CD1 3.45Å; I122-L144 HydrophobicContact CG2-CG 3.65Å
123E93.1Very high89.7Confident15 Ų1549.7 Ų49.77%0.0723%0.227CC..EExtended strand (participates in β ladder)trans-140.7151.4179.1177.352.4-107.100110.6F69 G70 S125 M128 I142 V143 L144F69-E123 HydrophobicContact CD1-CB 3.75Å; F69-E123 HydrophobicContact CD2-CB 4.43Å; F69-E123 HydrophobicContact CE1-CB 3.23Å; F69-E123 HydrophobicContact CE1-CG 4.31Å; F69-E123 HydrophobicContact CE2-CB 3.94Å; F69-E123 HydrophobicContact CE2-CG 4.19Å; F69-E123 HydrophobicContact CG-CB 4.33Å; F69-E123 HydrophobicContact CZ-CB 3.33Å; F69-E123 HydrophobicContact CZ-CG 4Å; F69-E123 PolarHBondContact N-OE2 2.98Å; G70-E123 WeakPolarHBondContact CA-OE2 3.42Å; G70-E123 PolarHBondContact N-OE2 3.23Å; E123-S125 WeakPolarHBondContact CG-O 3.29Å; E123-S125 PolarHBondContact OE1-N 2.98Å; E123-M128 HydrophobicContact CG-CB 3.62Å; E123-I142 PolarHBondContact N-O 3.39Å; E123-I142 VanDerWaalsContact N-O 3.07Å; E123-V143 CarbonylContact O-C 3.48Å; E123-V143 WeakPolarHBondContact O-CA 3.47Å; E123-L144 PolarHBondContact O-N 2.99Å
124I92.1Very high89.5Confident66 Ų6654 Ų5434%0.33825%0.251SS..SBendtrans-95.5-16.9177.958.3168.4000112.1K25 K26 L144 Y146K25-I124 WeakPolarHBondContact O-CD1 3.4Å; K26-I124 WeakPolarHBondContact CE-O 3.34Å; I124-L144 HydrophobicContact CG2-CB 4.34Å; I124-Y146 HydrophobicContact CG2-CE2 4.29Å
125S91.4Very high89.2Confident0 Ų049.8 Ų49.80%023%0.231CC..  trans-99.1113.8179.1170.30000112.2P27 E123 Y127 M128 L129P27-S125 PolarHBondContact O-OG 3.34Å; E123-S125 WeakPolarHBondContact CG-O 3.29Å; E123-S125 PolarHBondContact OE1-N 2.98Å; S125-Y127 PolarHBondContact O-N 3.39Å; S125-Y127 PolarHBondContact OG-N 3.08Å; S125-M128 WeakPolarHBondContact O-CB 3.29Å; S125-M128 PolarHBondContact O-N 3.33Å; S125-M128 PolarHBondContact OG-N 3.35Å; S125-M128 VanDerWaalsContact OG-N 3.12Å; S125-L129 PolarHBondContact O-N 2.95Å
126E90.7Very high88.5Confident97 Ų9745.3 Ų45.345%0.45321%0.211SC..Hα-helixtrans-57-34.2170.6-167.361.9-14600112M128 L129 Q130E126-M128 VanDerWaalsContact C-N 3.35Å; E126-M128 PolarHBondContact O-N 3.25Å; E126-L129 WeakPolarHBondContact O-CB 3.49Å; E126-L129 PolarHBondContact O-N 3.25Å; E126-L129 WeakPolarHBondContact OE1-CD2 3.34Å; E126-Q130 WeakPolarHBondContact O-CB 3.49Å; E126-Q130 PolarHBondContact O-N 2.95Å
127Y91Very high87.4Confident20 Ų2048.2 Ų48.28%0.07823%0.23CC..Hα-helixtrans-63.6-41.7176.3170.9-109.1000112P27 T28 K34 Q38 S125 Q130 K131P27-Y127 HydrophobicContact CB-CD1 3.98Å; T28-Y127 WeakPolarHBondContact O-CD1 3.34Å; T28-Y127 WeakPolarHBondContact O-CE1 3.44Å; K34-Y127 WeakPolarHBondContact CG-OH 3.48Å; Q38-Y127 PolarHBondContact NE2-OH 3Å; S125-Y127 PolarHBondContact O-N 3.39Å; S125-Y127 PolarHBondContact OG-N 3.08Å; Y127-Q130 PolarHBondContact O-N 3.45Å; Y127-K131 HydrophobicContact CE2-CG 4.36Å; Y127-K131 WeakPolarHBondContact O-CG 3.42Å; Y127-K131 PolarHBondContact O-N 3.41Å; Y127-K131 VanDerWaalsContact O-N 3.08Å
128M91.2Very high86.2Confident2 Ų249.2 Ų49.21%0.0123%0.234CC..Hα-helixtrans-68.7-41176.1-75.6-56.7159.300112P27 Y37 G70 Q71 E123 S125 E126 Q130 K131 A132P27-M128 HydrophobicContact CB-CE 3.28Å; P27-M128 HydrophobicContact CB-CG 3.99Å; P27-M128 HydrophobicContact CB-SD 4.5Å; P27-M128 HydrophobicContact CG-CE 3.56Å; P27-M128 HydrophobicContact CG-CG 3.94Å; Y37-M128 HydrophobicContact CD1-CE 3.43Å; Y37-M128 VanDerWaalsContact CD1-CE 3.43Å; Y37-M128 HydrophobicContact CD1-SD 4.31Å; Y37-M128 HydrophobicContact CD2-CE 3.56Å; Y37-M128 HydrophobicContact CE1-CE 3.95Å; Y37-M128 HydrophobicContact CE2-CE 4.09Å; Y37-M128 HydrophobicContact CG-CE 3.21Å; G70-M128 VanDerWaalsContact O-CB 3.29Å; G70-M128 WeakPolarHBondContact O-CB 3.34Å; Q71-M128 HydrophobicContact CB-SD 4.24Å; E123-M128 HydrophobicContact CG-CB 3.62Å; S125-M128 WeakPolarHBondContact O-CB 3.29Å; S125-M128 PolarHBondContact O-N 3.33Å; S125-M128 PolarHBondContact OG-N 3.35Å; S125-M128 VanDerWaalsContact OG-N 3.12Å; E126-M128 VanDerWaalsContact C-N 3.35Å; E126-M128 PolarHBondContact O-N 3.25Å; M128-Q130 VanDerWaalsContact C-N 3.34Å; M128-Q130 PolarHBondContact O-N 2.92Å; M128-K131 WeakPolarHBondContact O-CB 3.43Å; M128-K131 PolarHBondContact O-N 3.43Å; M128-K131 VanDerWaalsContact O-N 3.1Å; M128-A132 PolarHBondContact O-N 3Å
129L91.2Very high85.4Confident3 Ų346.3 Ų46.32%0.01622%0.221CC..Hα-helixtrans-55.5-48.1170.8174.267.4000112F69 S125 E126 K131 A132 R133 L141 V143F69-L129 HydrophobicContact CZ-CB 4.38Å; F69-L129 HydrophobicContact CZ-CD1 4.1Å; S125-L129 PolarHBondContact O-N 2.95Å; E126-L129 WeakPolarHBondContact O-CB 3.49Å; E126-L129 PolarHBondContact O-N 3.25Å; E126-L129 WeakPolarHBondContact OE1-CD2 3.34Å; L129-K131 PolarHBondContact O-N 3.38Å; L129-A132 PolarHBondContact O-N 3.41Å; L129-R133 HydrophobicContact CD1-CG 4.31Å; L129-R133 WeakPolarHBondContact O-CG 3.42Å; L129-R133 PolarHBondContact O-N 3.44Å; L129-L141 HydrophobicContact CD1-CB 3.32Å; L129-L141 HydrophobicContact CD1-CD1 3.95Å; L129-L141 HydrophobicContact CD1-CG 4.28Å; L129-V143 HydrophobicContact CB-CG2 3.38Å; L129-V143 HydrophobicContact CD1-CG2 4.28Å; L129-V143 HydrophobicContact CD2-CB 4.05Å; L129-V143 HydrophobicContact CD2-CG2 3.28Å; L129-V143 HydrophobicContact CG-CG2 3.79Å
130Q89.6Confident84.9Confident131 Ų13151 Ų5161%0.61224%0.242SC*.Hα-helixtrans-63.7-32.1179-169.7169.469.800112E126 Y127 M128 N134E126-Q130 WeakPolarHBondContact O-CB 3.49Å; E126-Q130 PolarHBondContact O-N 2.95Å; Y127-Q130 PolarHBondContact O-N 3.45Å; M128-Q130 VanDerWaalsContact C-N 3.34Å; M128-Q130 PolarHBondContact O-N 2.92Å; Q130-N134 PolarHBondContact O-ND2 3.38Å; Q130-N134 VanDerWaalsContact O-ND2 3.16Å
131K89.1Confident84.4Confident69 Ų6948.3 Ų48.330%0.323%0.232SC..Hα-helixtrans-68.3-47.5172.8-76.4-67.9-173.5175.30112.2Q71 Y127 M128 L129 R133 N134Q71-K131 HydrophobicContact CB-CB 4.44Å; Y127-K131 HydrophobicContact CE2-CG 4.36Å; Y127-K131 WeakPolarHBondContact O-CG 3.42Å; Y127-K131 PolarHBondContact O-N 3.41Å; Y127-K131 VanDerWaalsContact O-N 3.08Å; M128-K131 WeakPolarHBondContact O-CB 3.43Å; M128-K131 PolarHBondContact O-N 3.43Å; M128-K131 VanDerWaalsContact O-N 3.1Å; L129-K131 PolarHBondContact O-N 3.38Å; K131-R133 PolarHBondContact O-N 3.49Å; K131-N134 WeakPolarHBondContact O-CB 3.31Å; K131-N134 PolarHBondContact O-N 2.98Å; K131-N134 PolarHBondContact O-ND2 3.38Å
132A89.5Confident83.8Confident0 Ų053 Ų530%026%0.256CS..Hα-helixtrans-68-32.2-178.200000113.4F69 Q71 M128 L129 N134 Y135 L141F69-A132 HydrophobicContact CD2-CB 3.81Å; F69-A132 HydrophobicContact CE2-CB 3.37Å; F69-A132 HydrophobicContact CZ-CB 4.3Å; Q71-A132 WeakPolarHBondContact O-CA 3.47Å; M128-A132 PolarHBondContact O-N 3Å; L129-A132 PolarHBondContact O-N 3.41Å; A132-N134 PolarHBondContact O-N 2.9Å; A132-Y135 WeakPolarHBondContact O-CB 3.36Å; A132-Y135 WeakPolarHBondContact O-CD2 3.49Å; A132-Y135 PolarHBondContact O-N 3.37Å; A132-L141 HydrophobicContact CB-CD1 3.73Å
133R84.7Confident83.2Confident141 Ų14152.3 Ų52.353%0.53225%0.254SS..G310 helixtrans-57-22.6176.3-80.8178.2173.6170.4-0.1113.9L129 K131 Y135 G136 L141L129-R133 HydrophobicContact CD1-CG 4.31Å; L129-R133 WeakPolarHBondContact O-CG 3.42Å; L129-R133 PolarHBondContact O-N 3.44Å; K131-R133 PolarHBondContact O-N 3.49Å; R133-Y135 PolarHBondContact O-N 3.36Å; R133-G136 PolarHBondContact O-N 3.24Å; R133-L141 HydrophobicContact CG-CD1 4.29Å
134N78.2Confident82.6Confident116 Ų11654.9 Ų54.962%0.6227%0.268SS*.G310 helixtrans-67.2-16.1176.4-60.5-54.5000113.3Q130 K131 A132 G136Q130-N134 PolarHBondContact O-ND2 3.38Å; Q130-N134 VanDerWaalsContact O-ND2 3.16Å; K131-N134 WeakPolarHBondContact O-CB 3.31Å; K131-N134 PolarHBondContact O-N 2.98Å; K131-N134 PolarHBondContact O-ND2 3.38Å; A132-N134 PolarHBondContact O-N 2.9Å; N134-G136 PolarHBondContact O-N 2.88Å
135Y73.4Confident81.6Confident54 Ų5456.6 Ų56.621%0.21228%0.282CS..G310 helixtrans-74.9-11.5177.1-64.2-50.6000113.8Q71 G72 D73 Q76 A132 R133Q71-Y135 WeakPolarHBondContact O-CE2 3.44Å; G72-Y135 VanDerWaalsContact C-CE2 3.48Å; G72-Y135 WeakPolarHBondContact O-CE2 3.35Å; D73-Y135 PolarHBondContact OD1-OH 2.94Å; Q76-Y135 HydrophobicContact CB-CD1 4.42Å; Q76-Y135 HydrophobicContact CB-CD2 4.23Å; Q76-Y135 HydrophobicContact CB-CE2 4.47Å; Q76-Y135 HydrophobicContact CB-CG 4.19Å; Q76-Y135 HydrophobicContact CG-CD1 4.1Å; Q76-Y135 HydrophobicContact CG-CG 4.22Å; Q76-Y135 VanDerWaalsContact OE1-CD1 3.26Å; A132-Y135 WeakPolarHBondContact O-CB 3.36Å; A132-Y135 WeakPolarHBondContact O-CD2 3.49Å; A132-Y135 PolarHBondContact O-N 3.37Å; R133-Y135 PolarHBondContact O-N 3.36Å
136G70.4Confident80.2Confident12 Ų1265.2 Ų65.212%0.12432%0.315CS..  trans119.9175.9168.400000113.6R133 N134 L138R133-G136 PolarHBondContact O-N 3.24Å; N134-G136 PolarHBondContact O-N 2.88Å; G136-L138 PolarHBondContact O-N 3.36Å; G136-L138 VanDerWaalsContact O-N 3.08Å
137P66Low78.1Confident73 Ų7371.5 Ų71.547%0.47435%0.352SS..THydrogen-bonded Turntrans-70.4-2.5-174.530.1-37.7000114.1W90 F97 L139W90-P137 HydrophobicContact CE3-CG 3.96Å; W90-P137 HydrophobicContact CH2-CG 3.83Å; W90-P137 VanDerWaalsContact CZ3-CD 3.4Å; W90-P137 HydrophobicContact CZ3-CG 3.48Å; W90-P137 VanDerWaalsContact CZ3-CG 3.48Å; F97-P137 HydrophobicContact CD1-CG 3.8Å; F97-P137 HydrophobicContact CE1-CB 4.28Å; F97-P137 HydrophobicContact CE1-CG 3.4Å; F97-P137 HydrophobicContact CZ-CG 4.47Å; P137-L139 PolarHBondContact O-N 3.44Å
138L67.5Low77.4Confident27 Ų2774.1 Ų74.114%0.14137%0.366CS..THydrogen-bonded Turntrans-72.2-12.2-175.2-50.9-170.9000113V79 T86 V87 F97 G136V79-L138 HydrophobicContact CG2-CB 3.92Å; V79-L138 HydrophobicContact CG2-CD1 4.17Å; T86-L138 HydrophobicContact CG2-CD1 4.27Å; T86-L138 HydrophobicContact CG2-CD2 3.29Å; T86-L138 HydrophobicContact CG2-CG 4.36Å; V87-L138 HydrophobicContact CG2-CD1 3.66Å; F97-L138 HydrophobicContact CE1-CD2 3.85Å; F97-L138 HydrophobicContact CE2-CD2 4.03Å; F97-L138 HydrophobicContact CZ-CD2 3.31Å; G136-L138 PolarHBondContact O-N 3.36Å; G136-L138 VanDerWaalsContact O-N 3.08Å
139L73.6Confident76.7Confident21 Ų2177.8 Ų77.811%0.1138%0.384CS..EExtended strand (participates in β ladder)trans-104.6124.7-169.6-54.3-178.8000110.8I75 V79 V119 P137 L141I75-L139 HydrophobicContact CG2-CB 4.39Å; I75-L139 HydrophobicContact CG2-CD1 3.46Å; I75-L139 VanDerWaalsContact CG2-CD1 3.46Å; I75-L139 HydrophobicContact CG2-CD2 3.15Å; I75-L139 HydrophobicContact CG2-CG 3.79Å; V79-L139 HydrophobicContact CB-CD2 4.27Å; V79-L139 HydrophobicContact CG2-CD2 4.38Å; V119-L139 HydrophobicContact CB-CD2 4.23Å; P137-L139 PolarHBondContact O-N 3.44Å; L139-L141 HydrophobicContact CB-CD1 4.03Å; L139-L141 HydrophobicContact CB-CD2 3.9Å; L139-L141 HydrophobicContact CB-CG 3.7Å; L139-L141 HydrophobicContact CD1-CD1 4.28Å; L139-L141 PolarHBondContact O-N 3.3Å
140K80.8Confident75.9Confident100 Ų10082 Ų8244%0.43541%0.405SS..EExtended strand (participates in β ladder)trans-91.990.2171.3-70.4176.4-177.1167.30108.4V119 Y120 G121V119-K140 PolarHBondContact O-N 2.94Å; Y120-K140 WeakPolarHBondContact CA-O 3.15Å; Y120-K140 HydrophobicContact CD1-CB 3.75Å; Y120-K140 HydrophobicContact CD1-CD 4.11Å; Y120-K140 HydrophobicContact CE1-CB 4.07Å; Y120-K140 HydrophobicContact CE1-CD 3.52Å; Y120-K140 HydrophobicContact CE1-CG 4.44Å; G121-K140 PolarHBondContact N-O 3.49Å
141L82.2Confident75.1Confident24 Ų2479.1 Ų79.113%0.12639%0.392CS..EExtended strand (participates in β ladder)trans-105.3133.6-173.9-54.3177.7000111.6F69 I75 G121 L129 A132 R133 L139F69-L141 HydrophobicContact CD1-CD2 4.28Å; F69-L141 HydrophobicContact CE1-CB 4.4Å; F69-L141 HydrophobicContact CE1-CD2 3.91Å; F69-L141 HydrophobicContact CE2-CD1 4.5Å; F69-L141 HydrophobicContact CZ-CB 4.33Å; F69-L141 HydrophobicContact CZ-CD1 4.24Å; F69-L141 HydrophobicContact CZ-CD2 4.12Å; F69-L141 HydrophobicContact CZ-CG 4.47Å; I75-L141 HydrophobicContact CD1-CD2 3.53Å; G121-L141 WeakPolarHBondContact O-CA 2.92Å; L129-L141 HydrophobicContact CD1-CB 3.32Å; L129-L141 HydrophobicContact CD1-CD1 3.95Å; L129-L141 HydrophobicContact CD1-CG 4.28Å; A132-L141 HydrophobicContact CB-CD1 3.73Å; R133-L141 HydrophobicContact CG-CD1 4.29Å; L139-L141 HydrophobicContact CB-CD1 4.03Å; L139-L141 HydrophobicContact CB-CD2 3.9Å; L139-L141 HydrophobicContact CB-CG 3.7Å; L139-L141 HydrophobicContact CD1-CD1 4.28Å; L139-L141 PolarHBondContact O-N 3.3Å
142I79.3Confident74.2Confident100 Ų10079.8 Ų79.851%0.51340%0.398SS..EExtended strand (participates in β ladder)trans-124.4140.4179.6-61174.6000108.8G121 I122 E123G121-I142 PolarHBondContact O-N 2.92Å; I122-I142 WeakPolarHBondContact CA-O 3.42Å; E123-I142 PolarHBondContact N-O 3.39Å; E123-I142 VanDerWaalsContact N-O 3.07Å
143V81.7Confident73.2Confident27 Ų2785.1 Ų85.116%0.16443%0.425CS..EExtended strand (participates in β ladder)trans-104.3132.6168.8165.10000110.9E123 L129 T145E123-V143 CarbonylContact O-C 3.48Å; E123-V143 WeakPolarHBondContact O-CA 3.47Å; L129-V143 HydrophobicContact CB-CG2 3.38Å; L129-V143 HydrophobicContact CD1-CG2 4.28Å; L129-V143 HydrophobicContact CD2-CB 4.05Å; L129-V143 HydrophobicContact CD2-CG2 3.28Å; L129-V143 HydrophobicContact CG-CG2 3.79Å; V143-T145 HydrophobicContact CG1-CG2 4.28Å
144L80.3Confident72.4Confident69 Ų6981.1 Ų81.136%0.36142%0.417SS..  trans-87.2108.9170.5-66.7176.5000109.7I122 E123 I124 Y146I122-L144 HydrophobicContact CG2-CD1 3.45Å; I122-L144 VanDerWaalsContact CG2-CD1 3.45Å; I122-L144 HydrophobicContact CG2-CG 3.65Å; E123-L144 PolarHBondContact O-N 2.99Å; I124-L144 HydrophobicContact CG2-CB 4.34Å; L144-Y146 HydrophobicContact CB-CE2 4.08Å
145T71.3Confident71.9Confident103 Ų10378.4 Ų78.463%0.63240%0.402SS*.  trans-90.8112.8168.5510000109.4V143V143-T145 HydrophobicContact CG1-CG2 4.28Å
146Y62.4Low71.8Confident181 Ų18180.4 Ų80.471%0.7142%0.417SS*.  trans-89.1118.6165-66-86.9000107.9I124 L144I124-Y146 HydrophobicContact CG2-CE2 4.29Å; L144-Y146 HydrophobicContact CB-CE2 4.08Å
147N46.2Very low71.9Confident228 Ų22886.6 Ų86.6100%1.21944%0.444SS*.  trans-78.20169.9-68.9-24000110.4

Retrieved 147 of 147 residues in 31.3 ms (Link to these results)

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