A0A3Q0KUA5_SCHMA Loading...

Venom allergen-like (VAL) 1 protein

AlphaFold DB , UniProt , Accession A0A3Q0KUA5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 234 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
1M53.3Low75.2Confident230 Ų230132.5 Ų132.5100%1.13365%0.647SS**  0900-176.5174.6173.400107.3
2F70.3Confident76.4Confident206 Ų206127.9 Ų127.990%0.90463%0.632SS**PPolyproline II helixtrans-83.6132.8177-68-83.8000108.5
3L60Low77.4Confident109 Ų109126.9 Ų126.957%0.57163%0.625SS**PPolyproline II helixtrans-69.3137172.3-69.4173.9000108.8N7L3-N7 HydrophobicContact CB-CB 4.08Å
4R75.4Confident78.3Confident195 Ų195123.6 Ų123.674%0.73661%0.61SS**PPolyproline II helixtrans-59.4150.1174.9-62.9-179.3179.8-175.7-1110.3E6 N7 V8R4-E6 PolarHBondContact O-N 3.15Å; R4-E6 VanDerWaalsContact O-N 3.16Å; R4-N7 WeakPolarHBondContact O-CA 3.44Å; R4-N7 VanDerWaalsContact O-CB 3.27Å; R4-N7 WeakPolarHBondContact O-CB 3.49Å; R4-N7 PolarHBondContact O-N 3.36Å; R4-V8 PolarHBondContact O-N 3.16Å
5E74.2Confident78.9Confident170 Ų170121.8 Ų121.879%0.79460%0.603SS**Hα-helixtrans-54.4-35.2-176.7-67.1-176.316500114N7 V8 T9E5-N7 VanDerWaalsContact C-N 3.27Å; E5-N7 PolarHBondContact O-N 2.77Å; E5-V8 PolarHBondContact O-N 3.01Å; E5-V8 VanDerWaalsContact O-N 3.15Å; E5-T9 PolarHBondContact O-N 3.07Å; E5-T9 PolarHBondContact O-OG1 3.29Å
6E75.5Confident79.3Confident153 Ų153121.3 Ų121.372%0.71560%0.6SS**Hα-helixtrans-59.2-38.3173.6-63.5177167.200112R4 L10R4-E6 PolarHBondContact O-N 3.15Å; R4-E6 VanDerWaalsContact O-N 3.16Å; E6-L10 WeakPolarHBondContact O-CB 2.99Å; E6-L10 PolarHBondContact O-N 2.03Å
7N79.4Confident79.5Confident65 Ų65120.2 Ų120.235%0.34860%0.596SS.*Hα-helixtrans-71-33.7177.3-64.5-22.2000111.6L3 R4 E5 V11L3-N7 HydrophobicContact CB-CB 4.08Å; R4-N7 WeakPolarHBondContact O-CA 3.44Å; R4-N7 VanDerWaalsContact O-CB 3.27Å; R4-N7 WeakPolarHBondContact O-CB 3.49Å; R4-N7 PolarHBondContact O-N 3.36Å; E5-N7 VanDerWaalsContact C-N 3.27Å; E5-N7 PolarHBondContact O-N 2.77Å; N7-V11 WeakPolarHBondContact O-CB 3.05Å; N7-V11 WeakPolarHBondContact O-CG2 3.44Å; N7-V11 PolarHBondContact O-N 3.19Å
8V80.7Confident79.4Confident79 Ų79118.6 Ų118.648%0.47959%0.589SS.*Hα-helixtrans-66.1-46.8176.5-179.30000110.1R4 E5 L10 V11 V12R4-V8 PolarHBondContact O-N 3.16Å; E5-V8 PolarHBondContact O-N 3.01Å; E5-V8 VanDerWaalsContact O-N 3.15Å; V8-L10 VanDerWaalsContact C-N 3.34Å; V8-L10 PolarHBondContact O-N 3.06Å; V8-V11 PolarHBondContact O-N 2.94Å; V8-V12 WeakPolarHBondContact O-CG2 3.5Å; V8-V12 PolarHBondContact O-N 3.05Å
9T83Confident79.2Confident78 Ų78115.5 Ų115.548%0.47958%0.577SS.*Hα-helixtrans-61.2-43.6178.2-43.60000111.2E5 V12 H13E5-T9 PolarHBondContact O-N 3.07Å; E5-T9 PolarHBondContact O-OG1 3.29Å; T9-V12 PolarHBondContact O-N 3.26Å; T9-H13 PolarHBondContact O-N 3.34Å; T9-H13 PolarHBondContact O-ND1 3.16Å
10L87.7Confident78.6Confident102 Ų102114.6 Ų114.653%0.53457%0.574SS.*Hα-helixtrans-61.4-43.7175.4-175.865.8000112.2E6 V8 V12 H13 I14E6-L10 WeakPolarHBondContact O-CB 2.99Å; E6-L10 PolarHBondContact O-N 2.03Å; V8-L10 VanDerWaalsContact C-N 3.34Å; V8-L10 PolarHBondContact O-N 3.06Å; L10-V12 PolarHBondContact O-N 2.85Å; L10-H13 PolarHBondContact O-N 2.99Å; L10-I14 HydrophobicContact CD1-CD1 4.44Å; L10-I14 HydrophobicContact CG-CD1 4Å; L10-I14 VanDerWaalsContact O-CG1 3.31Å; L10-I14 WeakPolarHBondContact O-CG1 3.33Å; L10-I14 PolarHBondContact O-N 3.23Å
11V87.7Confident78.1Confident70 Ų70114.6 Ų114.642%0.42457%0.574SS.*Hα-helixtrans-61.8-41.7176.71690000111.3N7 V8 I14 L15N7-V11 WeakPolarHBondContact O-CB 3.05Å; N7-V11 WeakPolarHBondContact O-CG2 3.44Å; N7-V11 PolarHBondContact O-N 3.19Å; V8-V11 PolarHBondContact O-N 2.94Å; V11-I14 PolarHBondContact O-N 3.36Å; V11-L15 HydrophobicContact CG1-CD1 4.04Å; V11-L15 HydrophobicContact CG1-CG 4.38Å; V11-L15 WeakPolarHBondContact O-CB 3.38Å; V11-L15 VanDerWaalsContact O-CG 3.29Å; V11-L15 WeakPolarHBondContact O-CG 3.36Å; V11-L15 PolarHBondContact O-N 3.4Å
12V89.9Confident78.7Confident78 Ų78109.4 Ų109.447%0.47355%0.55SS..Hα-helixtrans-62.7-43.1175.91740000111.3V8 T9 L10 L15 M16V8-V12 WeakPolarHBondContact O-CG2 3.5Å; V8-V12 PolarHBondContact O-N 3.05Å; T9-V12 PolarHBondContact O-N 3.26Å; L10-V12 PolarHBondContact O-N 2.85Å; V12-L15 PolarHBondContact O-N 3.38Å; V12-M16 HydrophobicContact CG1-CG 4.4Å; V12-M16 VanDerWaalsContact O-CG 3.24Å; V12-M16 WeakPolarHBondContact O-CG 3.33Å; V12-M16 PolarHBondContact O-N 3.19Å
13H89Confident78.2Confident115 Ų115108.1 Ų108.153%0.53254%0.54SS..Hα-helixtrans-64.8-41.4176.4-7478.4000112T9 L10 M16 I17T9-H13 PolarHBondContact O-N 3.34Å; T9-H13 PolarHBondContact O-ND1 3.16Å; L10-H13 PolarHBondContact O-N 2.99Å; H13-M16 PolarHBondContact O-N 3.08Å; H13-I17 VanDerWaalsContact O-CG1 3.26Å; H13-I17 WeakPolarHBondContact O-CG1 3.41Å; H13-I17 PolarHBondContact O-N 2.99Å
14I90Very high78.1Confident81 Ų81106.3 Ų106.342%0.41554%0.541SS..Hα-helixtrans-60.6-45.8174-69.6168.3000110.1L10 V11 M16 I17 L18L10-I14 HydrophobicContact CD1-CD1 4.44Å; L10-I14 HydrophobicContact CG-CD1 4Å; L10-I14 VanDerWaalsContact O-CG1 3.31Å; L10-I14 WeakPolarHBondContact O-CG1 3.33Å; L10-I14 PolarHBondContact O-N 3.23Å; V11-I14 PolarHBondContact O-N 3.36Å; I14-M16 VanDerWaalsContact C-N 3.35Å; I14-M16 PolarHBondContact O-N 3.49Å; I14-I17 PolarHBondContact O-N 3.35Å; I14-L18 HydrophobicContact CG2-CD1 3.78Å; I14-L18 HydrophobicContact CG2-CG 4.17Å; I14-L18 WeakPolarHBondContact O-CB 3.26Å; I14-L18 VanDerWaalsContact O-CG 3.23Å; I14-L18 WeakPolarHBondContact O-CG 3.31Å; I14-L18 PolarHBondContact O-N 3.4Å
15L87.6Confident77.3Confident96 Ų96103.4 Ų103.450%0.50354%0.54SS..Hα-helixtrans-61.9-41.5176.6-71.6172.8000111.8V11 V12 L18 V19V11-L15 HydrophobicContact CG1-CD1 4.04Å; V11-L15 HydrophobicContact CG1-CG 4.38Å; V11-L15 WeakPolarHBondContact O-CB 3.38Å; V11-L15 VanDerWaalsContact O-CG 3.29Å; V11-L15 WeakPolarHBondContact O-CG 3.36Å; V11-L15 PolarHBondContact O-N 3.4Å; V12-L15 PolarHBondContact O-N 3.38Å; L15-L18 PolarHBondContact O-N 3.42Å; L15-V19 VanDerWaalsContact O-CB 3.26Å; L15-V19 WeakPolarHBondContact O-CB 3.18Å; L15-V19 WeakPolarHBondContact O-CG2 3.45Å; L15-V19 PolarHBondContact O-N 2.77Å
16M85.1Confident77Confident113 Ų11397.2 Ų97.256%0.55752%0.522SS*.Hα-helixtrans-63.8-41.5175.6-69.7-69.7-79.100111.8V12 H13 I14 N20V12-M16 HydrophobicContact CG1-CG 4.4Å; V12-M16 VanDerWaalsContact O-CG 3.24Å; V12-M16 WeakPolarHBondContact O-CG 3.33Å; V12-M16 PolarHBondContact O-N 3.19Å; H13-M16 PolarHBondContact O-N 3.08Å; I14-M16 VanDerWaalsContact C-N 3.35Å; I14-M16 PolarHBondContact O-N 3.49Å; M16-N20 WeakPolarHBondContact O-CB 3.44Å; M16-N20 PolarHBondContact O-N 2.89Å; M16-N20 PolarHBondContact O-ND2 3Å
17I82.5Confident77.6Confident104 Ų10495.3 Ų95.353%0.53353%0.525SS..Hα-helixtrans-63.6-46.2174.1-67.9164.9000110.3H13 I14 N20 M21H13-I17 VanDerWaalsContact O-CG1 3.26Å; H13-I17 WeakPolarHBondContact O-CG1 3.41Å; H13-I17 PolarHBondContact O-N 2.99Å; I14-I17 PolarHBondContact O-N 3.35Å; I17-N20 PolarHBondContact O-N 2.88Å; I17-M21 HydrophobicContact CG2-CG 4.28Å; I17-M21 WeakPolarHBondContact O-CB 3.27Å; I17-M21 WeakPolarHBondContact O-CG 3.24Å; I17-M21 PolarHBondContact O-N 3.26Å
18L77.4Confident78.2Confident91 Ų9194 Ų9448%0.47652%0.518SS..Hα-helixtrans-63.3-43.1179.2-71.2174.6000111.7I14 L15 M21 I22I14-L18 HydrophobicContact CG2-CD1 3.78Å; I14-L18 HydrophobicContact CG2-CG 4.17Å; I14-L18 WeakPolarHBondContact O-CB 3.26Å; I14-L18 VanDerWaalsContact O-CG 3.23Å; I14-L18 WeakPolarHBondContact O-CG 3.31Å; I14-L18 PolarHBondContact O-N 3.4Å; L15-L18 PolarHBondContact O-N 3.42Å; L18-M21 PolarHBondContact O-N 2.87Å; L18-I22 WeakPolarHBondContact O-CD1 3.2Å; L18-I22 WeakPolarHBondContact O-CG1 3.43Å; L18-I22 PolarHBondContact O-N 3.25Å
19V75.9Confident78.9Confident59 Ų5994.6 Ų94.636%0.35852%0.519SS..Hα-helixtrans-61.9-44.8174.9168.30000110.7L15 M21 I22 Y23L15-V19 VanDerWaalsContact O-CB 3.26Å; L15-V19 WeakPolarHBondContact O-CB 3.18Å; L15-V19 WeakPolarHBondContact O-CG2 3.45Å; L15-V19 PolarHBondContact O-N 2.77Å; V19-M21 VanDerWaalsContact C-N 3.34Å; V19-M21 PolarHBondContact O-N 3.15Å; V19-I22 PolarHBondContact O-N 2.63Å; V19-Y23 HydrophobicContact CG1-CD2 3.68Å; V19-Y23 HydrophobicContact CG1-CE2 3.19Å; V19-Y23 WeakPolarHBondContact O-CD2 3.34Å; V19-Y23 PolarHBondContact O-N 2.93Å
20N67.6Low79.6Confident98 Ų9894.7 Ų94.752%0.52453%0.527SS..Hα-helixtrans-63.5-37174.5-74.1-36.3000112.6M16 I17 Y23 A24M16-N20 WeakPolarHBondContact O-CB 3.44Å; M16-N20 PolarHBondContact O-N 2.89Å; M16-N20 PolarHBondContact O-ND2 3Å; I17-N20 PolarHBondContact O-N 2.88Å; N20-Y23 PolarHBondContact O-N 2.87Å; N20-A24 VanDerWaalsContact O-CB 3.3Å; N20-A24 WeakPolarHBondContact O-CB 3.49Å; N20-A24 PolarHBondContact O-N 3.3Å
21M68.7Low80.1Confident114 Ų11494.6 Ų94.656%0.56252%0.523SS*.Hα-helixtrans-69.7-35.4175.3-70.6-71.4-82.800112.2I17 L18 V19 A24 N25I17-M21 HydrophobicContact CG2-CG 4.28Å; I17-M21 WeakPolarHBondContact O-CB 3.27Å; I17-M21 WeakPolarHBondContact O-CG 3.24Å; I17-M21 PolarHBondContact O-N 3.26Å; L18-M21 PolarHBondContact O-N 2.87Å; V19-M21 VanDerWaalsContact C-N 3.34Å; V19-M21 PolarHBondContact O-N 3.15Å; M21-A24 PolarHBondContact O-N 3.33Å; M21-N25 PolarHBondContact O-N 2.9Å
22I64.4Low80.6Confident122 Ų12292 Ų9263%0.62651%0.507SS*.Hα-helixtrans-63.8-43.4172.4-69.2161.9000110.1L18 V19 G26L18-I22 WeakPolarHBondContact O-CD1 3.2Å; L18-I22 WeakPolarHBondContact O-CG1 3.43Å; L18-I22 PolarHBondContact O-N 3.25Å; V19-I22 PolarHBondContact O-N 2.63Å; I22-G26 PolarHBondContact O-N 3.27Å
23Y61.7Low81Confident178 Ų17892.7 Ų92.770%0.69851%0.505SS*.Hα-helixtrans-71.3-34.6177.1-68-57.2000113.5V19 N20 N25 G26V19-Y23 HydrophobicContact CG1-CD2 3.68Å; V19-Y23 HydrophobicContact CG1-CE2 3.19Å; V19-Y23 WeakPolarHBondContact O-CD2 3.34Å; V19-Y23 PolarHBondContact O-N 2.93Å; N20-Y23 PolarHBondContact O-N 2.87Å; Y23-N25 VanDerWaalsContact C-N 3.3Å; Y23-N25 PolarHBondContact O-N 3.45Å; Y23-G26 PolarHBondContact O-N 3.29Å
24A57.8Low81.5Confident71 Ų7190.8 Ų90.859%0.58750%0.497SS*.Hα-helixtrans-67.5-29179.600000113.2N20 M21N20-A24 VanDerWaalsContact O-CB 3.3Å; N20-A24 WeakPolarHBondContact O-CB 3.49Å; N20-A24 PolarHBondContact O-N 3.3Å; M21-A24 PolarHBondContact O-N 3.33Å
25N56.9Low81.9Confident134 Ų13487 Ų8772%0.71748%0.477SS*.THydrogen-bonded Turntrans-101.924.7175.2-71.6-27.3000112.8M21 Y23 S27M21-N25 PolarHBondContact O-N 2.9Å; Y23-N25 VanDerWaalsContact C-N 3.3Å; Y23-N25 PolarHBondContact O-N 3.45Å; N25-S27 PolarHBondContact O-N 3.05Å
26G69.2Low82.4Confident41 Ų4182.7 Ų82.742%0.42346%0.455SS..PPolyproline II helixtrans-49.6127.1-179.700000111.4I22 Y23I22-G26 PolarHBondContact O-N 3.27Å; Y23-G26 PolarHBondContact O-N 3.29Å
27S86.6Confident83.1Confident112 Ų11280.7 Ų80.778%0.78345%0.446SS*.PPolyproline II helixtrans-49.4143.5170.7-177.50000109.8N25N25-S27 PolarHBondContact O-N 3.05Å
28L93.4Very high83.8Confident39 Ų3976.7 Ų76.720%0.20443%0.426CS..PPolyproline II helixtrans-58144.5171.1-62.1-179.6000109.7E33 L36 W65L28-E33 HydrophobicContact CB-CB 4.29Å; L28-L36 HydrophobicContact CD1-CD2 3.7Å; L28-W65 HydrophobicContact CD1-CB 3.95Å; L28-W65 HydrophobicContact CD1-CD2 4.07Å; L28-W65 HydrophobicContact CD1-CE3 4.29Å; L28-W65 HydrophobicContact CD1-CG 3.95Å; L28-W65 HydrophobicContact CD2-CB 4.1Å; L28-W65 HydrophobicContact CD2-CD2 3.95Å; L28-W65 HydrophobicContact CD2-CG 3.54Å; L28-W65 HydrophobicContact CG-CG 4.41Å
29D95.8Very high84.9Confident91 Ų9172.3 Ų72.349%0.48740%0.403SS..PPolyproline II helixtrans-65.7157.8166.971.688.2000110.1K31 S32 E33D29-K31 PolarHBondContact O-N 2.97Å; D29-K31 VanDerWaalsContact O-N 3.11Å; D29-K31 WeakPolarHBondContact OD1-CB 3.29Å; D29-K31 PolarHBondContact OD1-N 3.47Å; D29-S32 PolarHBondContact O-N 3.23Å; D29-S32 VanDerWaalsContact O-N 3.09Å; D29-S32 PolarHBondContact OD1-N 3.32Å; D29-S32 WeakPolarHBondContact OD2-CB 3.34Å; D29-S32 PolarHBondContact OD2-OG 2.98Å; D29-E33 PolarHBondContact O-N 3.44Å
30A97Very high85.9Confident79 Ų7974.4 Ų74.465%0.65341%0.405SS*.Hα-helixtrans-56.3-33.1-173.700000113.9E34A30-E34 WeakPolarHBondContact O-CB 3.44Å; A30-E34 PolarHBondContact O-N 2.88Å
31K98Very high87.4Confident101 Ų10174.7 Ų74.744%0.43940%0.401SS..Hα-helixtrans-74.6-42.6179.3-66.3-179179.1179.40111.1D29 E33 E34 L35 I105 V147D29-K31 PolarHBondContact O-N 2.97Å; D29-K31 VanDerWaalsContact O-N 3.11Å; D29-K31 WeakPolarHBondContact OD1-CB 3.29Å; D29-K31 PolarHBondContact OD1-N 3.47Å; K31-E33 VanDerWaalsContact C-N 3.31Å; K31-E34 PolarHBondContact O-N 2.9Å; K31-L35 WeakPolarHBondContact O-CD1 3.49Å; K31-L35 WeakPolarHBondContact O-CG 3.37Å; K31-L35 PolarHBondContact O-N 3.47Å; K31-I105 HydrophobicContact CB-CD1 3.58Å; K31-I105 HydrophobicContact CD-CD1 4.26Å; K31-I105 HydrophobicContact CG-CD1 3.75Å; K31-V147 HydrophobicContact CD-CB 4.45Å; K31-V147 HydrophobicContact CD-CG1 4.36Å
32S98.4Very high88.9Confident15 Ų1570.4 Ų70.411%0.10538%0.379CS..Hα-helixtrans-61.2-41.9174-66.80000111.4D29 L35 L36 W65D29-S32 PolarHBondContact O-N 3.23Å; D29-S32 VanDerWaalsContact O-N 3.09Å; D29-S32 PolarHBondContact OD1-N 3.32Å; D29-S32 WeakPolarHBondContact OD2-CB 3.34Å; D29-S32 PolarHBondContact OD2-OG 2.98Å; S32-L35 PolarHBondContact O-N 2.85Å; S32-L36 WeakPolarHBondContact O-CB 3.42Å; S32-L36 PolarHBondContact O-N 2.86Å; S32-W65 WeakPolarHBondContact O-CZ3 3.27Å; S32-W65 WeakPolarHBondContact OG-CZ2 3.42Å
33E98.2Very high90.5Very high93 Ų9365 Ų6544%0.43535%0.351SS..Hα-helixtrans-64.7-44.6175.2-177.2168.6-14800112.3L28 D29 K31 L35 L36 N37L28-E33 HydrophobicContact CB-CB 4.29Å; D29-E33 PolarHBondContact O-N 3.44Å; K31-E33 VanDerWaalsContact C-N 3.31Å; E33-L35 PolarHBondContact O-N 3.46Å; E33-L36 PolarHBondContact O-N 3.06Å; E33-N37 VanDerWaalsContact CG-ND2 3.31Å; E33-N37 WeakPolarHBondContact CG-ND2 3.44Å; E33-N37 VanDerWaalsContact O-CB 3.29Å; E33-N37 WeakPolarHBondContact O-CB 3.37Å; E33-N37 VanDerWaalsContact O-CG 3.27Å; E33-N37 PolarHBondContact O-N 3.29Å; E33-N37 PolarHBondContact O-ND2 2.85Å
34E98.5Very high92.2Very high74 Ų7460.9 Ų60.935%0.34634%0.338SS..Hα-helixtrans-57.2-48176-173.2-173.6170.400111.3A30 K31 L36 N37 L38 I105 K106A30-E34 WeakPolarHBondContact O-CB 3.44Å; A30-E34 PolarHBondContact O-N 2.88Å; K31-E34 PolarHBondContact O-N 2.9Å; E34-L36 PolarHBondContact O-N 3.04Å; E34-N37 PolarHBondContact O-N 3.37Å; E34-L38 HydrophobicContact CG-CD1 3.91Å; E34-L38 HydrophobicContact CG-CG 4.41Å; E34-L38 WeakPolarHBondContact O-CB 3.49Å; E34-L38 VanDerWaalsContact O-CG 3.3Å; E34-L38 WeakPolarHBondContact O-CG 3.02Å; E34-L38 PolarHBondContact O-N 2.92Å; E34-I105 HydrophobicContact CB-CG2 4.36Å; E34-I105 HydrophobicContact CG-CG2 3.84Å; E34-K106 PolarHBondContact OE1-N 3.06Å
35L98.8Very high94.2Very high1 Ų158.5 Ų58.51%0.00532%0.315CS..Hα-helixtrans-60-48.2178.6-75.2157.7000111.9K31 S32 E33 N37 H39 I105 V109 C145 V147 I157K31-L35 WeakPolarHBondContact O-CD1 3.49Å; K31-L35 WeakPolarHBondContact O-CG 3.37Å; K31-L35 PolarHBondContact O-N 3.47Å; S32-L35 PolarHBondContact O-N 2.85Å; E33-L35 PolarHBondContact O-N 3.46Å; L35-N37 VanDerWaalsContact C-N 3.34Å; L35-N37 PolarHBondContact O-N 2.77Å; L35-H39 PolarHBondContact O-N 3.37Å; L35-H39 VanDerWaalsContact O-N 3.15Å; L35-H39 PolarHBondContact O-ND1 2.98Å; L35-I105 HydrophobicContact CD1-CD1 4.49Å; L35-I105 HydrophobicContact CD2-CG2 3.59Å; L35-I105 HydrophobicContact CG-CD1 4.45Å; L35-I105 HydrophobicContact CG-CG2 3.74Å; L35-V109 HydrophobicContact CD2-CG2 3.78Å; L35-C145 HydrophobicContact CB-CB 4.27Å; L35-C145 HydrophobicContact CD1-CB 3.5Å; L35-C145 HydrophobicContact CG-CB 4.29Å; L35-V147 HydrophobicContact CD1-CG2 3.45Å; L35-V147 VanDerWaalsContact CD1-CG2 3.45Å; L35-I157 HydrophobicContact CD2-CG2 3.73Å
36L98.7Very high96.2Very high7 Ų752.2 Ų52.24%0.03728%0.281CS..Hα-helixtrans-61.1-45.1179.1179.359.7000111.2L28 S32 E33 E34 H39 R40 L63 W65 I143L28-L36 HydrophobicContact CD1-CD2 3.7Å; S32-L36 WeakPolarHBondContact O-CB 3.42Å; S32-L36 PolarHBondContact O-N 2.86Å; E33-L36 PolarHBondContact O-N 3.06Å; E34-L36 PolarHBondContact O-N 3.04Å; L36-H39 PolarHBondContact O-N 2.8Å; L36-R40 HydrophobicContact CD1-CG 4.41Å; L36-R40 WeakPolarHBondContact O-CB 3.38Å; L36-R40 WeakPolarHBondContact O-CG 3.22Å; L36-R40 PolarHBondContact O-N 2.98Å; L36-L63 HydrophobicContact CD1-CB 4.01Å; L36-W65 HydrophobicContact CB-CE3 4.13Å; L36-W65 HydrophobicContact CB-CZ3 4.37Å; L36-W65 HydrophobicContact CD2-CB 4.25Å; L36-W65 HydrophobicContact CD2-CE3 4.49Å; L36-I143 HydrophobicContact CD1-CG2 3.48Å; L36-I143 VanDerWaalsContact CD1-CG2 3.48Å
37N98.6Very high97.6Very high70 Ų7051.3 Ų51.337%0.37427%0.268SS..Hα-helixtrans-70-38.4-177.3-73.1-21.1000112.5E33 E34 L35 R40 K41E33-N37 VanDerWaalsContact CG-ND2 3.31Å; E33-N37 WeakPolarHBondContact CG-ND2 3.44Å; E33-N37 VanDerWaalsContact O-CB 3.29Å; E33-N37 WeakPolarHBondContact O-CB 3.37Å; E33-N37 VanDerWaalsContact O-CG 3.27Å; E33-N37 PolarHBondContact O-N 3.29Å; E33-N37 PolarHBondContact O-ND2 2.85Å; E34-N37 PolarHBondContact O-N 3.37Å; L35-N37 VanDerWaalsContact C-N 3.34Å; L35-N37 PolarHBondContact O-N 2.77Å; N37-R40 PolarHBondContact O-N 2.96Å; N37-K41 VanDerWaalsContact O-CB 3.28Å; N37-K41 WeakPolarHBondContact O-CB 3.27Å; N37-K41 PolarHBondContact O-N 3.26Å
38L98.9Very high98.1Very high20 Ų2047.5 Ų47.511%0.10524%0.239CC..Hα-helixtrans-61.3-45.3173.2-73.9168000111.5E34 K41 Y42 I105 K106 V109E34-L38 HydrophobicContact CG-CD1 3.91Å; E34-L38 HydrophobicContact CG-CG 4.41Å; E34-L38 WeakPolarHBondContact O-CB 3.49Å; E34-L38 VanDerWaalsContact O-CG 3.3Å; E34-L38 WeakPolarHBondContact O-CG 3.02Å; E34-L38 PolarHBondContact O-N 2.92Å; L38-K41 PolarHBondContact O-N 3.34Å; L38-Y42 HydrophobicContact CB-CE2 4.48Å; L38-Y42 HydrophobicContact CD2-CE2 4.44Å; L38-Y42 WeakPolarHBondContact O-CB 3.31Å; L38-Y42 WeakPolarHBondContact O-CD2 3.4Å; L38-Y42 PolarHBondContact O-N 3.37Å; L38-I105 HydrophobicContact CD1-CG2 3.84Å; L38-K106 HydrophobicContact CD1-CB 4.35Å; L38-K106 HydrophobicContact CD2-CG 4.4Å; L38-V109 HydrophobicContact CB-CB 4.49Å; L38-V109 HydrophobicContact CB-CG1 3.95Å; L38-V109 HydrophobicContact CD1-CB 4.11Å; L38-V109 HydrophobicContact CD1-CG1 4.47Å; L38-V109 HydrophobicContact CD1-CG2 4.1Å
39H98.9Very high98.3Very high0 Ų047.1 Ų47.10%024%0.239CC..Hα-helixtrans-63.2-45.2177.3-76.879.4000112.2L35 L36 Y42 R43 L63 I143 Y161L35-H39 PolarHBondContact O-N 3.37Å; L35-H39 VanDerWaalsContact O-N 3.15Å; L35-H39 PolarHBondContact O-ND1 2.98Å; L36-H39 PolarHBondContact O-N 2.8Å; H39-Y42 PolarHBondContact O-N 2.82Å; H39-R43 WeakPolarHBondContact O-CB 3.26Å; H39-R43 VanDerWaalsContact O-CG 3.26Å; H39-R43 WeakPolarHBondContact O-CG 3.15Å; H39-R43 PolarHBondContact O-N 3.16Å; H39-L63 HydrophobicContact CB-CD1 3.63Å; H39-I143 HydrophobicContact CB-CD1 4.2Å; H39-Y161 AromaticContact CD2-CE1 3.72Å; H39-Y161 AromaticContact NE2-CE1 3.63Å; H39-Y161 AromaticContact NE2-CZ 3.63Å; H39-Y161 PolarHBondContact NE2-OH 2.89Å
40R98.7Very high98.4Very high103 Ų10348.8 Ų48.839%0.38924%0.242SC..Hα-helixtrans-59.7-47.3176.2-75.7172172.5171.3-6.2111.3L36 N37 Y42 R43 Q44 L63L36-R40 HydrophobicContact CD1-CG 4.41Å; L36-R40 WeakPolarHBondContact O-CB 3.38Å; L36-R40 WeakPolarHBondContact O-CG 3.22Å; L36-R40 PolarHBondContact O-N 2.98Å; N37-R40 PolarHBondContact O-N 2.96Å; R40-Y42 PolarHBondContact O-N 3.08Å; R40-R43 PolarHBondContact O-N 3.2Å; R40-Q44 WeakPolarHBondContact O-CB 3.3Å; R40-Q44 PolarHBondContact O-N 2.79Å; R40-L63 HydrophobicContact CG-CB 4.3Å; R40-L63 PolarHBondContact NE-O 2.96Å; R40-L63 PolarHBondContact NH2-O 2.82Å
41K98.6Very high98.5Very high104 Ų10445.6 Ų45.645%0.45221%0.214SC..Hα-helixtrans-55.8-51.5176.7179.9-167.3170.5-650111N37 L38 R43 Q44 D45N37-K41 VanDerWaalsContact O-CB 3.28Å; N37-K41 WeakPolarHBondContact O-CB 3.27Å; N37-K41 PolarHBondContact O-N 3.26Å; L38-K41 PolarHBondContact O-N 3.34Å; K41-R43 PolarHBondContact O-N 2.93Å; K41-Q44 CarbonylContact O-C 3.6Å; K41-Q44 WeakPolarHBondContact O-CA 3.44Å; K41-Q44 WeakPolarHBondContact O-CB 3.2Å; K41-Q44 PolarHBondContact O-N 3.27Å; K41-Q44 VanDerWaalsContact O-N 3.12Å; K41-D45 IonicContact NZ-OD2 2.82Å; K41-D45 PolarHBondContact NZ-OD2 3.49Å; K41-D45 PolarHBondContact O-N 3.13Å
42Y98.8Very high98.4Very high24 Ų2447.4 Ų47.49%0.09423%0.228CC..Hα-helixtrans-65.6-37.3-177.2-77.4-45.6000113.9L38 H39 R40 Q44 D45 L46 V109 D110 F113 M135L38-Y42 HydrophobicContact CB-CE2 4.48Å; L38-Y42 HydrophobicContact CD2-CE2 4.44Å; L38-Y42 WeakPolarHBondContact O-CB 3.31Å; L38-Y42 WeakPolarHBondContact O-CD2 3.4Å; L38-Y42 PolarHBondContact O-N 3.37Å; H39-Y42 PolarHBondContact O-N 2.82Å; R40-Y42 PolarHBondContact O-N 3.08Å; Y42-Q44 VanDerWaalsContact C-N 3.33Å; Y42-D45 PolarHBondContact O-N 2.96Å; Y42-L46 PolarHBondContact O-N 2.87Å; Y42-V109 HydrophobicContact CD2-CG1 4.03Å; Y42-V109 HydrophobicContact CE2-CG1 3.88Å; Y42-D110 PolarHBondContact OH-OD1 3.33Å; Y42-F113 HydrophobicContact CD1-CB 4.45Å; Y42-F113 AromaticContact CD1-CD1 3.29Å; Y42-F113 HydrophobicContact CD1-CD1 3.29Å; Y42-F113 HydrophobicContact CD1-CD2 4.23Å; Y42-F113 AromaticContact CD1-CE1 3.38Å; Y42-F113 HydrophobicContact CD1-CE1 3.38Å; Y42-F113 HydrophobicContact CD1-CE2 4.31Å; Y42-F113 AromaticContact CD1-CG 3.73Å; Y42-F113 HydrophobicContact CD1-CG 3.73Å; Y42-F113 AromaticContact CD1-CZ 3.89Å; Y42-F113 HydrophobicContact CD1-CZ 3.89Å; Y42-F113 HydrophobicContact CD2-CB 4.08Å; Y42-F113 HydrophobicContact CD2-CD1 4.39Å; Y42-F113 HydrophobicContact CD2-CD2 4.33Å; Y42-F113 HydrophobicContact CD2-CG 4.01Å; Y42-F113 AromaticContact CE1-CD1 3.58Å; Y42-F113 HydrophobicContact CE1-CD1 3.58Å; Y42-F113 AromaticContact CE1-CE1 3.99Å; Y42-F113 HydrophobicContact CE1-CE1 3.99Å; Y42-F113 HydrophobicContact CE1-CG 4.15Å; Y42-F113 HydrophobicContact CE2-CB 4.17Å; Y42-F113 HydrophobicContact CE2-CG 4.41Å; Y42-F113 HydrophobicContact CG-CB 4.24Å; Y42-F113 AromaticContact CG-CD1 3.76Å; Y42-F113 HydrophobicContact CG-CD1 3.76Å; Y42-F113 AromaticContact CG-CD2 3.84Å; Y42-F113 HydrophobicContact CG-CD2 3.84Å; Y42-F113 AromaticContact CG-CE1 3.98Å; Y42-F113 HydrophobicContact CG-CE1 3.98Å; Y42-F113 HydrophobicContact CG-CE2 4.08Å; Y42-F113 AromaticContact CG-CG 3.66Å; Y42-F113 HydrophobicContact CG-CG 3.66Å; Y42-F113 HydrophobicContact CG-CZ 4.12Å; Y42-M135 HydrophobicContact CD2-CE 3.87Å
43R98.8Very high98.4Very high8 Ų850.3 Ų50.33%0.0326%0.261CS..Hα-helixtrans-64.4-40.2171.6-70.4169.268.686.9-6.9111.3H39 R40 K41 L46 V47 M60 S61 M135 W137 A138 T140H39-R43 WeakPolarHBondContact O-CB 3.26Å; H39-R43 VanDerWaalsContact O-CG 3.26Å; H39-R43 WeakPolarHBondContact O-CG 3.15Å; H39-R43 PolarHBondContact O-N 3.16Å; R40-R43 PolarHBondContact O-N 3.2Å; K41-R43 PolarHBondContact O-N 2.93Å; R43-L46 WeakPolarHBondContact O-CB 3.47Å; R43-L46 PolarHBondContact O-N 3.24Å; R43-V47 PolarHBondContact O-N 3.37Å; R43-M60 HydrophobicContact CB-CB 4.07Å; R43-M60 HydrophobicContact CB-CG 4.04Å; R43-M60 HydrophobicContact CB-SD 4.32Å; R43-M60 HydrophobicContact CG-SD 4.28Å; R43-S61 PolarHBondContact NE-O 3Å; R43-S61 PolarHBondContact NH2-O 2.92Å; R43-M135 WeakPolarHBondContact CG-O 3.43Å; R43-M135 PolarHBondContact NH1-O 3.37Å; R43-W137 PolarHBondContact NH1-O 2.98Å; R43-W137 PolarHBondContact NH2-O 3Å; R43-A138 PolarHBondContact NH2-O 3.14Å; R43-T140 PolarHBondContact NH2-O 3.31Å; R43-T140 VanDerWaalsContact NH2-O 3.14Å
44Q98.5Very high98.4Very high92 Ų9246.1 Ų46.143%0.4324%0.242SC..Hα-helixtrans-65.2-39.1174.7-169.860.947.300111.7R40 K41 Y42 L46 V47 D48R40-Q44 WeakPolarHBondContact O-CB 3.3Å; R40-Q44 PolarHBondContact O-N 2.79Å; K41-Q44 CarbonylContact O-C 3.6Å; K41-Q44 WeakPolarHBondContact O-CA 3.44Å; K41-Q44 WeakPolarHBondContact O-CB 3.2Å; K41-Q44 PolarHBondContact O-N 3.27Å; K41-Q44 VanDerWaalsContact O-N 3.12Å; Y42-Q44 VanDerWaalsContact C-N 3.33Å; Q44-L46 PolarHBondContact O-N 3.42Å; Q44-V47 CarbonylContact O-C 3.55Å; Q44-V47 WeakPolarHBondContact O-CA 3.29Å; Q44-V47 WeakPolarHBondContact O-CB 3.3Å; Q44-V47 PolarHBondContact O-N 3.39Å; Q44-D48 PolarHBondContact NE2-OD1 3.44Å; Q44-D48 WeakPolarHBondContact O-CB 3.49Å; Q44-D48 PolarHBondContact O-N 3.26Å
45D98.6Very high98.4Very high20 Ų2043.7 Ų43.711%0.10723%0.232CC..Hα-helixtrans-60.2-34.4177-72.1-25.1000112.1K41 Y42 D48 C49 K50 V51K41-D45 IonicContact NZ-OD2 2.82Å; K41-D45 PolarHBondContact NZ-OD2 3.49Å; K41-D45 PolarHBondContact O-N 3.13Å; Y42-D45 PolarHBondContact O-N 2.96Å; D45-D48 PolarHBondContact O-N 3.33Å; D45-C49 PolarHBondContact O-N 3.39Å; D45-C49 VanDerWaalsContact O-N 3.12Å; D45-K50 HydrophobicContact CB-CB 4.01Å; D45-K50 PolarHBondContact O-N 3.05Å; D45-K50 VanDerWaalsContact OD1-CD 3.3Å; D45-K50 WeakPolarHBondContact OD1-CD 3.37Å; D45-V51 HydrophobicContact CB-CG2 3.93Å
46L98.6Very high98.4Very high2 Ų243.8 Ų43.81%0.0123%0.233CC..Hα-helixtrans-65.3-39.7171.6-73.9166.2000112.2Y42 R43 Q44 V51 Q54 P56 A57 M60 F113 Y132 A136 Y173Y42-L46 PolarHBondContact O-N 2.87Å; R43-L46 WeakPolarHBondContact O-CB 3.47Å; R43-L46 PolarHBondContact O-N 3.24Å; Q44-L46 PolarHBondContact O-N 3.42Å; L46-V51 HydrophobicContact CD2-CB 3.85Å; L46-V51 HydrophobicContact CD2-CG1 4.07Å; L46-V51 HydrophobicContact CD2-CG2 3.73Å; L46-V51 HydrophobicContact CG-CG2 3.91Å; L46-Q54 HydrophobicContact CD2-CB 4.23Å; L46-P56 CarbonylContact O-C 3.57Å; L46-P56 VanDerWaalsContact O-CA 3.24Å; L46-P56 WeakPolarHBondContact O-CA 3.08Å; L46-A57 HydrophobicContact CB-CB 4.04Å; L46-A57 PolarHBondContact O-N 3.32Å; L46-M60 HydrophobicContact CB-CE 4.16Å; L46-M60 HydrophobicContact CD1-CE 3.59Å; L46-F113 HydrophobicContact CD1-CE2 4.27Å; L46-F113 HydrophobicContact CD1-CZ 4.49Å; L46-F113 HydrophobicContact CG-CZ 4.27Å; L46-Y132 HydrophobicContact CD1-CE2 4.4Å; L46-A136 HydrophobicContact CD1-CB 3.66Å; L46-Y173 HydrophobicContact CD1-CE1 4.17Å; L46-Y173 HydrophobicContact CD2-CE1 4.27Å
47V98.5Very high98.4Very high23 Ų2343.5 Ų43.514%0.13923%0.231CC..Hα-helixtrans-70.7-36.7176.6177.10000111.1R43 Q44 C49 A57 M60 K176R43-V47 PolarHBondContact O-N 3.37Å; Q44-V47 CarbonylContact O-C 3.55Å; Q44-V47 WeakPolarHBondContact O-CA 3.29Å; Q44-V47 WeakPolarHBondContact O-CB 3.3Å; Q44-V47 PolarHBondContact O-N 3.39Å; V47-C49 PolarHBondContact O-N 3.14Å; V47-A57 HydrophobicContact CG2-CB 4.05Å; V47-M60 HydrophobicContact CG2-CB 3.91Å; V47-M60 HydrophobicContact CG2-CG 3.69Å; V47-K176 WeakPolarHBondContact O-CE 3.39Å; V47-K176 PolarHBondContact O-NZ 2.98Å
48D98Very high98.4Very high32 Ų3245.9 Ų45.917%0.17124%0.238CC..THydrogen-bonded Turntrans-82.60.8-178.1-72.80.4000113.4Q44 D45 K50 P182Q44-D48 PolarHBondContact NE2-OD1 3.44Å; Q44-D48 WeakPolarHBondContact O-CB 3.49Å; Q44-D48 PolarHBondContact O-N 3.26Å; D45-D48 PolarHBondContact O-N 3.33Å; D48-K50 VanDerWaalsContact C-N 3.3Å; D48-K50 HydrophobicContact CB-CD 3.77Å; D48-K50 HydrophobicContact CB-CG 3.97Å; D48-K50 PolarHBondContact O-N 3.01Å; D48-K50 IonicContact OD2-NZ 3.73Å; D48-K50 PolarHBondContact OD2-NZ 3.24Å; D48-P182 HydrophobicContact CB-CG 4.47Å
49C97.5Very high98.3Very high31 Ų3151.7 Ų51.721%0.20926%0.26CS..THydrogen-bonded Turntrans65.531.3178.2-40.50000113.8D45 V47 P56 C181D45-C49 PolarHBondContact O-N 3.39Å; D45-C49 VanDerWaalsContact O-N 3.12Å; V47-C49 PolarHBondContact O-N 3.14Å; C49-P56 HydrophobicContact CB-CB 4.06Å; C49-P56 WeakPolarHBondContact SG-CB 3.11Å; C49-C181 HydrophobicContact CB-CB 3.77Å; C49-C181 WeakPolarHBondContact CB-SG 3.43Å; C49-C181 WeakPolarHBondContact SG-CB 3.34Å; C49-C181 CovalentContact SG-SG 1.98Å; C49-C181 PolarHBondContact SG-SG 3.26Å
50K98.1Very high98.3Very high126 Ų12652.5 Ų52.555%0.54826%0.264SS..  trans-96.92.1-177.7-66.6169.4179.8157.40113.7D45 D48D45-K50 HydrophobicContact CB-CB 4.01Å; D45-K50 PolarHBondContact O-N 3.05Å; D45-K50 VanDerWaalsContact OD1-CD 3.3Å; D45-K50 WeakPolarHBondContact OD1-CD 3.37Å; D48-K50 VanDerWaalsContact C-N 3.3Å; D48-K50 HydrophobicContact CB-CD 3.77Å; D48-K50 HydrophobicContact CB-CG 3.97Å; D48-K50 PolarHBondContact O-N 3.01Å; D48-K50 IonicContact OD2-NZ 3.73Å; D48-K50 PolarHBondContact OD2-NZ 3.24Å
51V98.4Very high98Very high12 Ų1248.4 Ų48.47%0.07325%0.251CS..SBendtrans-104.6107.4-178.1-174.40000109.7D45 L46 Q54 F113 H116D45-V51 HydrophobicContact CB-CG2 3.93Å; L46-V51 HydrophobicContact CD2-CB 3.85Å; L46-V51 HydrophobicContact CD2-CG1 4.07Å; L46-V51 HydrophobicContact CD2-CG2 3.73Å; L46-V51 HydrophobicContact CG-CG2 3.91Å; V51-Q54 HydrophobicContact CB-CB 4.42Å; V51-Q54 HydrophobicContact CG1-CB 4.08Å; V51-Q54 HydrophobicContact CG1-CG 3.95Å; V51-Q54 PolarHBondContact O-N 3.29Å; V51-F113 HydrophobicContact CG1-CE1 4.32Å; V51-F113 HydrophobicContact CG1-CZ 4.34Å; V51-F113 HydrophobicContact CG2-CE1 3.95Å; V51-F113 HydrophobicContact CG2-CZ 3.74Å; V51-H116 HydrophobicContact CG1-CB 4.24Å
52D97.4Very high97.8Very high138 Ų13847.9 Ų47.974%0.73826%0.258SS*.THydrogen-bonded Turntrans-61.4143.5-179.5-65.5-32.4000112Q54 H116D52-Q54 PolarHBondContact O-N 2.83Å; D52-Q54 VanDerWaalsContact O-N 3.16Å; D52-H116 PolarHBondContact O-CE1 3.4Å; D52-H116 VanDerWaalsContact O-CE1 3.24Å; D52-H116 PolarHBondContact O-ND1 3.44Å; D52-H116 VanDerWaalsContact O-ND1 3.13Å
53G97.5Very high97.8Very high77 Ų7746.9 Ų46.979%0.79426%0.255SS*.THydrogen-bonded Turntrans75.1-9.4-179.300000115.1
54Q98.6Very high97.7Very high5 Ų551.9 Ų51.92%0.02328%0.276CS..SBendtrans-107.1146179.6-63.1-56.8-36.600112.1L46 V51 D52 H116 Y119 R178L46-Q54 HydrophobicContact CD2-CB 4.23Å; V51-Q54 HydrophobicContact CB-CB 4.42Å; V51-Q54 HydrophobicContact CG1-CB 4.08Å; V51-Q54 HydrophobicContact CG1-CG 3.95Å; V51-Q54 PolarHBondContact O-N 3.29Å; D52-Q54 PolarHBondContact O-N 2.83Å; D52-Q54 VanDerWaalsContact O-N 3.16Å; Q54-H116 HydrophobicContact CG-CB 4.13Å; Q54-H116 PolarHBondContact NE2-O 2.77Å; Q54-Y119 PolarHBondContact NE2-O 3.09Å; Q54-R178 PolarHBondContact O-NH1 2.81Å; Q54-R178 PolarHBondContact O-NH2 2.84Å
55P98.5Very high97.7Very high22 Ų2249.1 Ų49.114%0.14326%0.262CS..PPolyproline II helixtrans-74.8147.9169.132-33000109.7Y121 Y173 V175P55-Y121 HydrophobicContact CG-CD1 3.55Å; P55-Y121 HydrophobicContact CG-CD2 3.72Å; P55-Y121 HydrophobicContact CG-CE1 4.09Å; P55-Y121 HydrophobicContact CG-CE2 4.26Å; P55-Y121 HydrophobicContact CG-CG 3.38Å; P55-Y173 HydrophobicContact CG-CE2 4.45Å; P55-Y173 WeakPolarHBondContact O-CE2 3.46Å; P55-Y173 PolarHBondContact O-OH 2.75Å; P55-V175 HydrophobicContact CB-CB 4.41Å; P55-V175 HydrophobicContact CB-CG1 3.8Å; P55-V175 HydrophobicContact CB-CG2 3.62Å; P55-V175 HydrophobicContact CG-CG2 3.53Å
56P98.4Very high97.7Very high4 Ų448.6 Ų48.63%0.02626%0.259CS..PPolyproline II helixtrans-73.4138.5-174.331.3-35.5000111.7L46 C49 V175 K176 R178L46-P56 CarbonylContact O-C 3.57Å; L46-P56 VanDerWaalsContact O-CA 3.24Å; L46-P56 WeakPolarHBondContact O-CA 3.08Å; C49-P56 HydrophobicContact CB-CB 4.06Å; C49-P56 WeakPolarHBondContact SG-CB 3.11Å; P56-V175 WeakPolarHBondContact O-CA 3.23Å; P56-K176 HydrophobicContact CB-CG 4.16Å; P56-K176 HydrophobicContact CG-CG 3.98Å; P56-K176 VanDerWaalsContact CG-O 3.28Å; P56-K176 WeakPolarHBondContact CG-O 3.5Å; P56-K176 PolarHBondContact O-N 2.81Å; P56-R178 HydrophobicContact CG-CG 4.03Å
57A98.6Very high97.6Very high0 Ų053.4 Ų53.40%028%0.282CS..BIsolated β-bridgetrans-68.9134.8176.900000110.2L46 V47 Y59 M60 Y173 E174 K176L46-A57 HydrophobicContact CB-CB 4.04Å; L46-A57 PolarHBondContact O-N 3.32Å; V47-A57 HydrophobicContact CG2-CB 4.05Å; A57-Y59 VanDerWaalsContact C-N 3.33Å; A57-M60 HydrophobicContact CB-CE 3.61Å; A57-M60 HydrophobicContact CB-CG 4.13Å; A57-Y173 HydrophobicContact CB-CD2 3.66Å; A57-Y173 HydrophobicContact CB-CE2 4.03Å; A57-Y173 HydrophobicContact CB-CG 3.95Å; A57-E174 CarbonylContact C-O 3.51Å; A57-E174 WeakPolarHBondContact CA-O 3.42Å; A57-K176 WeakPolarHBondContact O-CD 2.92Å; A57-K176 WeakPolarHBondContact O-CE 3.41Å
58K98.3Very high97.6Very high120 Ų12055.5 Ų55.552%0.52229%0.292SS..SBendtrans-65.6-41.1172.5179.4178167.2-165.90111.1E174 K176K58-E174 HydrophobicContact CB-CB 4.15Å; K58-E174 WeakPolarHBondContact CB-O 3.46Å; K58-E174 HydrophobicContact CD-CB 4.19Å; K58-E174 WeakPolarHBondContact CD-OE2 3.49Å; K58-E174 PolarHBondContact N-O 2.98Å; K58-E174 IonicContact NZ-OE2 2.8Å; K58-E174 PolarHBondContact NZ-OE2 2.76Å; K58-K176 HydrophobicContact CB-CB 4.07Å; K58-K176 HydrophobicContact CG-CB 4.46Å
59Y97.6Very high97.6Very high143 Ų14354 Ų5456%0.56128%0.284SS*.  trans-155.3146.8-179.1176.6-101.6000110.4A57 P62A57-Y59 VanDerWaalsContact C-N 3.33Å; Y59-P62 WeakPolarHBondContact OH-CD 3.39Å
60M98Very high97.6Very high17 Ų1753 Ų538%0.08428%0.278CS..  trans-132.7126.6168.6-75.6-72.917700108.2R43 L46 V47 A57 A136 A138 Y173R43-M60 HydrophobicContact CB-CB 4.07Å; R43-M60 HydrophobicContact CB-CG 4.04Å; R43-M60 HydrophobicContact CB-SD 4.32Å; R43-M60 HydrophobicContact CG-SD 4.28Å; L46-M60 HydrophobicContact CB-CE 4.16Å; L46-M60 HydrophobicContact CD1-CE 3.59Å; V47-M60 HydrophobicContact CG2-CB 3.91Å; V47-M60 HydrophobicContact CG2-CG 3.69Å; A57-M60 HydrophobicContact CB-CE 3.61Å; A57-M60 HydrophobicContact CB-CG 4.13Å; M60-A136 HydrophobicContact CE-CB 4.46Å; M60-A136 VanDerWaalsContact CE-O 3.23Å; M60-A136 WeakPolarHBondContact CE-O 3.36Å; M60-A138 HydrophobicContact SD-CB 4.06Å; M60-Y173 HydrophobicContact CE-CD1 3.54Å; M60-Y173 HydrophobicContact CE-CE1 4.3Å; M60-Y173 HydrophobicContact CE-CG 3.75Å
61S93.5Very high97.7Very high16 Ų1654.6 Ų54.611%0.11228%0.28CS..  trans-61.4134.3174.7-174.80000110.3R43 L63 A138R43-S61 PolarHBondContact NE-O 3Å; R43-S61 PolarHBondContact NH2-O 2.92Å; S61-L63 PolarHBondContact O-N 2.86Å; S61-A138 WeakPolarHBondContact CB-O 3.37Å
62P93.5Very high97.7Very high94 Ų9456 Ų5661%0.6129%0.287SS*.  trans-66.6114.7172.627.8-32.7000108.8Y59 K64Y59-P62 WeakPolarHBondContact OH-CD 3.39Å; P62-K64 PolarHBondContact O-N 3.25Å
63L98.6Very high97.7Very high3 Ų349.5 Ų49.52%0.01625%0.251CS..  trans-64.4134-178-63.9179.4000110.9L36 H39 R40 S61 T140 T141 I143L36-L63 HydrophobicContact CD1-CB 4.01Å; H39-L63 HydrophobicContact CB-CD1 3.63Å; R40-L63 HydrophobicContact CG-CB 4.3Å; R40-L63 PolarHBondContact NE-O 2.96Å; R40-L63 PolarHBondContact NH2-O 2.82Å; S61-L63 PolarHBondContact O-N 2.86Å; L63-T140 HydrophobicContact CD2-CG2 3.89Å; L63-T140 WeakPolarHBondContact CD2-O 3.26Å; L63-T141 CarbonylContact C-O 3.56Å; L63-T141 WeakPolarHBondContact CA-O 3.22Å; L63-I143 HydrophobicContact CB-CG2 4.04Å; L63-I143 HydrophobicContact CD1-CB 4.37Å; L63-I143 HydrophobicContact CD1-CD1 4.38Å; L63-I143 HydrophobicContact CD1-CG2 4.16Å
64K97.8Very high97.8Very high112 Ų11248.9 Ų48.949%0.48723%0.228SC..EExtended strand (participates in β ladder)trans-105.7151.2167.368.2-173.8180-179.50110.7P62 T141 D142 I143P62-K64 PolarHBondContact O-N 3.25Å; K64-T141 PolarHBondContact N-O 3.27Å; K64-D142 WeakPolarHBondContact CE-OD1 3.45Å; K64-D142 WeakPolarHBondContact CE-OD2 3.26Å; K64-D142 IonicContact NZ-OD1 3.48Å; K64-D142 IonicContact NZ-OD2 3.6Å; K64-D142 WeakPolarHBondContact O-CA 3.36Å; K64-I143 PolarHBondContact O-N 2.76Å
65W98.3Very high97.8Very high35 Ų3551.7 Ų51.713%0.13325%0.248CC..EExtended strand (participates in β ladder)trans-75.7135.1175.8-168.5-100000110.6L28 S32 L36 H67 A70 I143 C145L28-W65 HydrophobicContact CD1-CB 3.95Å; L28-W65 HydrophobicContact CD1-CD2 4.07Å; L28-W65 HydrophobicContact CD1-CE3 4.29Å; L28-W65 HydrophobicContact CD1-CG 3.95Å; L28-W65 HydrophobicContact CD2-CB 4.1Å; L28-W65 HydrophobicContact CD2-CD2 3.95Å; L28-W65 HydrophobicContact CD2-CG 3.54Å; L28-W65 HydrophobicContact CG-CG 4.41Å; S32-W65 WeakPolarHBondContact O-CZ3 3.27Å; S32-W65 WeakPolarHBondContact OG-CZ2 3.42Å; L36-W65 HydrophobicContact CB-CE3 4.13Å; L36-W65 HydrophobicContact CB-CZ3 4.37Å; L36-W65 HydrophobicContact CD2-CB 4.25Å; L36-W65 HydrophobicContact CD2-CE3 4.49Å; W65-H67 AromaticContact CD1-CE1 3.78Å; W65-H67 AromaticContact CD1-ND1 3.88Å; W65-H67 AromaticContact CD1-NE2 3.88Å; W65-H67 AromaticContact NE1-ND1 3.85Å; W65-A70 HydrophobicContact CZ2-CB 3.53Å; W65-I143 CarbonylContact C-O 3.59Å; W65-I143 VanDerWaalsContact CA-O 3.31Å; W65-I143 WeakPolarHBondContact CA-O 3.28Å; W65-I143 HydrophobicContact CE3-CG2 4.37Å; W65-C145 HydrophobicContact CH2-CB 3.75Å; W65-C145 HydrophobicContact CZ3-CB 4.15Å
66N98Very high97.8Very high9 Ų950.7 Ų50.75%0.04824%0.242CC..  trans-120.9110.1177.1-172.6-56.1000109.6D68 L69 A70 D142 I143N66-D68 VanDerWaalsContact C-N 3.29Å; N66-D68 PolarHBondContact O-N 2.92Å; N66-D68 PolarHBondContact OD1-N 3.02Å; N66-D68 VanDerWaalsContact OD1-N 3.13Å; N66-L69 HydrophobicContact CB-CB 4.13Å; N66-L69 HydrophobicContact CB-CD1 3.97Å; N66-L69 HydrophobicContact CB-CG 4.02Å; N66-L69 PolarHBondContact O-N 2.83Å; N66-L69 PolarHBondContact OD1-N 2.97Å; N66-L69 VanDerWaalsContact OD1-N 3.14Å; N66-A70 WeakPolarHBondContact O-CB 3.4Å; N66-A70 PolarHBondContact O-N 2.59Å; N66-D142 HydrophobicContact CB-CB 4.01Å; N66-D142 PolarHBondContact ND2-OD1 2.91Å; N66-I143 PolarHBondContact N-O 3.06Å
67H96.8Very high97.8Very high103 Ų10350.5 Ų50.548%0.47724%0.241SC..Hα-helixtrans-64-31.7-175.1-68.7-83.8000113W65 A70 R71W65-H67 AromaticContact CD1-CE1 3.78Å; W65-H67 AromaticContact CD1-ND1 3.88Å; W65-H67 AromaticContact CD1-NE2 3.88Å; W65-H67 AromaticContact NE1-ND1 3.85Å; H67-A70 PolarHBondContact O-N 3.06Å; H67-R71 WeakPolarHBondContact O-CG 3.06Å; H67-R71 PolarHBondContact O-N 2.99Å
68D97.4Very high97.8Very high66 Ų6655.3 Ų55.335%0.35327%0.266SS..Hα-helixtrans-72-38.9179.8-62.7-12.7000111.5N66 A70 R71 Q72N66-D68 VanDerWaalsContact C-N 3.29Å; N66-D68 PolarHBondContact O-N 2.92Å; N66-D68 PolarHBondContact OD1-N 3.02Å; N66-D68 VanDerWaalsContact OD1-N 3.13Å; D68-A70 VanDerWaalsContact C-N 3.35Å; D68-R71 IonicContact OD1-CZ 3.76Å; D68-R71 IonicContact OD1-NH1 2.71Å; D68-R71 PolarHBondContact OD1-NH1 2.94Å; D68-R71 IonicContact OD1-NH2 3.85Å; D68-R71 PolarHBondContact OD1-NH2 2.05Å; D68-Q72 PolarHBondContact O-N 2.97Å; D68-Q72 PolarHBondContact O-NE2 3.18Å; D68-Q72 VanDerWaalsContact O-NE2 3.15Å
69L98.6Very high97.7Very high0 Ų054.6 Ų54.60%026%0.263CS..Hα-helixtrans-64.6-40.9171.6-66.6-173.6000111.3N66 Q72 A73 F92 V95 D142 N160N66-L69 HydrophobicContact CB-CB 4.13Å; N66-L69 HydrophobicContact CB-CD1 3.97Å; N66-L69 HydrophobicContact CB-CG 4.02Å; N66-L69 PolarHBondContact O-N 2.83Å; N66-L69 PolarHBondContact OD1-N 2.97Å; N66-L69 VanDerWaalsContact OD1-N 3.14Å; L69-Q72 PolarHBondContact O-N 3.02Å; L69-A73 WeakPolarHBondContact O-CB 3.43Å; L69-A73 PolarHBondContact O-N 3.41Å; L69-F92 HydrophobicContact CD1-CD2 4.47Å; L69-F92 HydrophobicContact CD1-CE2 4.28Å; L69-V95 HydrophobicContact CD2-CG1 3.73Å; L69-V95 HydrophobicContact CD2-CG2 4.04Å; L69-D142 HydrophobicContact CD1-CB 4.12Å; L69-N160 HydrophobicContact CB-CB 4.02Å; L69-N160 HydrophobicContact CD2-CB 4.29Å; L69-N160 PolarHBondContact O-ND2 3.38Å; L69-N160 VanDerWaalsContact O-ND2 3.08Å
70A98.6Very high97.7Very high11 Ų1149.5 Ų49.59%0.09125%0.248CC..Hα-helixtrans-65.2-43.8179.400000112.3W65 N66 H67 D68 Q72 A73 Q74 C145W65-A70 HydrophobicContact CZ2-CB 3.53Å; N66-A70 WeakPolarHBondContact O-CB 3.4Å; N66-A70 PolarHBondContact O-N 2.59Å; H67-A70 PolarHBondContact O-N 3.06Å; D68-A70 VanDerWaalsContact C-N 3.35Å; A70-Q72 VanDerWaalsContact C-N 3.3Å; A70-Q72 PolarHBondContact O-N 2.84Å; A70-A73 PolarHBondContact O-N 2.96Å; A70-Q74 WeakPolarHBondContact O-CB 3.38Å; A70-Q74 PolarHBondContact O-N 3.29Å; A70-C145 WeakPolarHBondContact CB-O 3.34Å
71R98.2Very high97.6Very high159 Ų15951.4 Ų51.460%0.626%0.258SS*.Hα-helixtrans-58.3-42.3176.4-73.9-165.3-52-84.54.2112H67 D68 S75H67-R71 WeakPolarHBondContact O-CG 3.06Å; H67-R71 PolarHBondContact O-N 2.99Å; D68-R71 IonicContact OD1-CZ 3.76Å; D68-R71 IonicContact OD1-NH1 2.71Å; D68-R71 PolarHBondContact OD1-NH1 2.94Å; D68-R71 IonicContact OD1-NH2 3.85Å; D68-R71 PolarHBondContact OD1-NH2 2.05Å; R71-S75 PolarHBondContact O-N 3.2Å; R71-S75 VanDerWaalsContact O-N 3.08Å
72Q98.6Very high97.7Very high43 Ų4356.3 Ų56.320%0.20128%0.282CS..Hα-helixtrans-67.6-44.1176.1-71.3174.685.700111.9D68 L69 A70 Q74 S75 L76 H88D68-Q72 PolarHBondContact O-N 2.97Å; D68-Q72 PolarHBondContact O-NE2 3.18Å; D68-Q72 VanDerWaalsContact O-NE2 3.15Å; L69-Q72 PolarHBondContact O-N 3.02Å; A70-Q72 VanDerWaalsContact C-N 3.3Å; A70-Q72 PolarHBondContact O-N 2.84Å; Q72-Q74 VanDerWaalsContact C-N 3.3Å; Q72-Q74 PolarHBondContact O-N 3.21Å; Q72-S75 WeakPolarHBondContact O-CB 3.39Å; Q72-S75 PolarHBondContact O-N 3.35Å; Q72-L76 PolarHBondContact O-N 2.73Å; Q72-L76 VanDerWaalsContact O-N 3.16Å; Q72-H88 PolarHBondContact NE2-O 2.96Å; Q72-H88 PolarHBondContact OE1-O 3.28Å
73A98.8Very high97.9Very high0 Ų060.2 Ų60.20%029%0.285CS..Hα-helixtrans-59.6-41.9176.300000111.7L69 A70 S75 L76 A77 V158 N160L69-A73 WeakPolarHBondContact O-CB 3.43Å; L69-A73 PolarHBondContact O-N 3.41Å; A70-A73 PolarHBondContact O-N 2.96Å; A73-S75 PolarHBondContact O-N 2.85Å; A73-L76 PolarHBondContact O-N 2.87Å; A73-A77 WeakPolarHBondContact O-CB 3.41Å; A73-A77 PolarHBondContact O-N 3.48Å; A73-V158 HydrophobicContact CB-CB 4.11Å; A73-V158 HydrophobicContact CB-CG1 3.82Å; A73-V158 WeakPolarHBondContact O-CB 3.47Å; A73-N160 PolarHBondContact N-ND2 3.46Å
74Q98.6Very high97.9Very high64 Ų6465.2 Ų65.230%0.29931%0.308SS..Hα-helixtrans-63.7-40.4176.1-170.963.852.400112.1A70 Q72 L76 A77 N78 V147A70-Q74 WeakPolarHBondContact O-CB 3.38Å; A70-Q74 PolarHBondContact O-N 3.29Å; Q72-Q74 VanDerWaalsContact C-N 3.3Å; Q72-Q74 PolarHBondContact O-N 3.21Å; Q74-L76 VanDerWaalsContact C-N 3.27Å; Q74-L76 PolarHBondContact O-N 2.95Å; Q74-A77 PolarHBondContact O-N 3.28Å; Q74-N78 PolarHBondContact NE2-OD1 2.98Å; Q74-N78 WeakPolarHBondContact O-CB 3.31Å; Q74-N78 PolarHBondContact O-N 3.01Å; Q74-N78 PolarHBondContact O-ND2 2.81Å; Q74-N78 PolarHBondContact O-OD1 3.24Å; Q74-V147 PolarHBondContact NE2-O 3.45Å; Q74-V147 PolarHBondContact OE1-O 3.14Å
75S98.5Very high97.8Very high64 Ų6461.8 Ų61.845%0.44830%0.295SS..Hα-helixtrans-57.8-40.5174.7-173.50000112R71 Q72 A73 K79R71-S75 PolarHBondContact O-N 3.2Å; R71-S75 VanDerWaalsContact O-N 3.08Å; Q72-S75 WeakPolarHBondContact O-CB 3.39Å; Q72-S75 PolarHBondContact O-N 3.35Å; A73-S75 PolarHBondContact O-N 2.85Å; S75-K79 WeakPolarHBondContact O-CE 3.2Å
76L98.5Very high97.7Very high2 Ų268.7 Ų68.71%0.0133%0.326CS..Hα-helixtrans-72.5-44.1174.9-176.356.8000112.4Q72 A73 Q74 N78 K79 I81 D85 I99 V158Q72-L76 PolarHBondContact O-N 2.73Å; Q72-L76 VanDerWaalsContact O-N 3.16Å; A73-L76 PolarHBondContact O-N 2.87Å; Q74-L76 VanDerWaalsContact C-N 3.27Å; Q74-L76 PolarHBondContact O-N 2.95Å; L76-N78 PolarHBondContact O-N 2.82Å; L76-K79 HydrophobicContact CD1-CD 4.1Å; L76-K79 WeakPolarHBondContact O-CB 3.48Å; L76-K79 PolarHBondContact O-N 3.49Å; L76-I81 HydrophobicContact CD1-CD1 4.49Å; L76-I81 HydrophobicContact CD1-CG1 4.26Å; L76-D85 HydrophobicContact CD1-CB 4.38Å; L76-I99 HydrophobicContact CD2-CD1 3.68Å; L76-I99 HydrophobicContact CD2-CG1 4.16Å; L76-V158 HydrophobicContact CB-CG1 4.3Å; L76-V158 HydrophobicContact CB-CG2 4.16Å; L76-V158 HydrophobicContact CD2-CG1 3.96Å; L76-V158 HydrophobicContact CD2-CG2 4.16Å; L76-V158 HydrophobicContact CG-CG1 4.45Å; L76-V158 HydrophobicContact CG-CG2 4Å
77A98.4Very high97.6Very high0 Ų070.7 Ų70.70%033%0.332CS..Hα-helixtrans-56.2-40.5-179.900000111.6A73 Q74 K79 C80 A148 S156 V158A73-A77 WeakPolarHBondContact O-CB 3.41Å; A73-A77 PolarHBondContact O-N 3.48Å; Q74-A77 PolarHBondContact O-N 3.28Å; A77-K79 PolarHBondContact O-N 3.48Å; A77-C80 PolarHBondContact O-N 3.03Å; A77-A148 HydrophobicContact CB-CB 4.12Å; A77-A148 WeakPolarHBondContact O-CB 3.46Å; A77-S156 WeakPolarHBondContact CA-OG 3.48Å; A77-S156 WeakPolarHBondContact O-CB 3.18Å; A77-S156 PolarHBondContact O-OG 3.11Å; A77-V158 HydrophobicContact CB-CB 4.34Å; A77-V158 HydrophobicContact CB-CG2 3.89Å
78N98Very high97.4Very high100 Ų10072 Ų7254%0.53534%0.338SS..THydrogen-bonded Turntrans-59.5-18.4177.1-69.4-13.8000114.1Q74 L76Q74-N78 PolarHBondContact NE2-OD1 2.98Å; Q74-N78 WeakPolarHBondContact O-CB 3.31Å; Q74-N78 PolarHBondContact O-N 3.01Å; Q74-N78 PolarHBondContact O-ND2 2.81Å; Q74-N78 PolarHBondContact O-OD1 3.24Å; L76-N78 PolarHBondContact O-N 2.82Å
79K97.3Very high97.4Very high106 Ų10670.4 Ų70.446%0.46133%0.333SS..THydrogen-bonded Turntrans-85.1-15.4179.4-59.3172.2-167.4161.60112.7S75 L76 A77 I81S75-K79 WeakPolarHBondContact O-CE 3.2Å; L76-K79 HydrophobicContact CD1-CD 4.1Å; L76-K79 WeakPolarHBondContact O-CB 3.48Å; L76-K79 PolarHBondContact O-N 3.49Å; A77-K79 PolarHBondContact O-N 3.48Å; K79-I81 VanDerWaalsContact C-N 3.29Å; K79-I81 HydrophobicContact CB-CD1 4.1Å; K79-I81 HydrophobicContact CB-CG1 3.89Å; K79-I81 HydrophobicContact CD-CD1 4.33Å; K79-I81 WeakPolarHBondContact O-CG2 3.3Å; K79-I81 PolarHBondContact O-N 2.72Å
80C96.9Very high97.2Very high35 Ų3578.8 Ų78.824%0.23638%0.377CS..THydrogen-bonded Turntrans53.939.3-179.2-63.10000114.5A77 C150A77-C80 PolarHBondContact O-N 3.03Å; C80-C150 VanDerWaalsContact CA-SG 3.52Å; C80-C150 HydrophobicContact CB-CB 3.81Å; C80-C150 WeakPolarHBondContact CB-SG 3.37Å; C80-C150 WeakPolarHBondContact SG-CA 3.26Å; C80-C150 WeakPolarHBondContact SG-CB 3.43Å; C80-C150 CovalentContact SG-SG 2.03Å; C80-C150 PolarHBondContact SG-SG 3.13Å
81I96.4Very high97.2Very high58 Ų5883.5 Ų83.530%0.29740%0.398SS..  trans-123.6145.5-179.559.1177.9000111.8L76 K79 R83L76-I81 HydrophobicContact CD1-CD1 4.49Å; L76-I81 HydrophobicContact CD1-CG1 4.26Å; K79-I81 VanDerWaalsContact C-N 3.29Å; K79-I81 HydrophobicContact CB-CD1 4.1Å; K79-I81 HydrophobicContact CB-CG1 3.89Å; K79-I81 HydrophobicContact CD-CD1 4.33Å; K79-I81 WeakPolarHBondContact O-CG2 3.3Å; K79-I81 PolarHBondContact O-N 2.72Å; I81-R83 VanDerWaalsContact C-N 3.27Å; I81-R83 HydrophobicContact CD1-CB 4.21Å; I81-R83 HydrophobicContact CG1-CB 4.42Å; I81-R83 PolarHBondContact O-N 2.7Å
82L96.5Very high97.1Very high118 Ų11877.3 Ų77.362%0.61838%0.375SS*.SBendtrans-8959.2172.8-64.6177.4000110.8I99 L101L82-I99 HydrophobicContact CD2-CB 4.49Å; L82-I99 HydrophobicContact CD2-CG2 3.81Å; L82-L101 HydrophobicContact CD1-CD1 4.1Å; L82-L101 HydrophobicContact CD2-CB 4.42Å; L82-L101 HydrophobicContact CD2-CD1 4.13Å; L82-L101 HydrophobicContact CD2-CG 3.81Å; L82-L101 HydrophobicContact CG-CD1 3.79Å; L82-L101 HydrophobicContact CG-CG 4.06Å
83R97.6Very high97.1Very high177 Ų17781.3 Ų81.367%0.66841%0.408SS*.  trans-140.2128.1179.7-176171.462.9119.1-2.7110.6I81I81-R83 VanDerWaalsContact C-N 3.27Å; I81-R83 HydrophobicContact CD1-CB 4.21Å; I81-R83 HydrophobicContact CG1-CB 4.42Å; I81-R83 PolarHBondContact O-N 2.7Å
84H97.5Very high97Very high108 Ų10886.4 Ų86.450%0.543%0.427SS..  trans-61.2147175.2-68-62.9000112.4Q97H84-Q97 PolarHBondContact CE1-O 3.07Å; H84-Q97 PolarHBondContact ND1-OE1 3.33Å
85D97.1Very high97Very high40 Ų4083.6 Ų83.621%0.21442%0.415CS..  trans-114.5172.2168.363.9-4.5000112.1L76 R87 Q97L76-D85 HydrophobicContact CD1-CB 4.38Å; D85-R87 PolarHBondContact O-NH1 2.71Å; D85-Q97 PolarHBondContact OD1-NE2 3.15Å
86K95.9Very high97Very high180 Ų18080.6 Ų80.678%0.78339%0.394SS*.  trans-73.1132.2171.7-67.6-174.8179.7-178.30108.4
87R95.7Very high97Very high50 Ų5081.1 Ų81.119%0.18940%0.396CS..  trans-115.6137.2179.6-61.2164.2-64.3-88.92.7108.4D85 V95 N160D85-R87 PolarHBondContact O-NH1 2.71Å; R87-V95 HydrophobicContact CB-CB 3.95Å; R87-V95 HydrophobicContact CB-CG1 4.05Å; R87-V95 HydrophobicContact CG-CG1 4.47Å; R87-V95 PolarHBondContact NE-O 3.42Å; R87-V95 PolarHBondContact NH2-O 3.25Å; R87-V95 VanDerWaalsContact NH2-O 3.16Å; R87-N160 VanDerWaalsContact CD-OD1 3.22Å; R87-N160 WeakPolarHBondContact CD-OD1 3.37Å
88H93.2Very high97Very high130 Ų13081.2 Ų81.260%0.60240%0.396SS*.  trans-121.5141.6-178.5-60.6-77000109.6Q72Q72-H88 PolarHBondContact NE2-O 2.96Å; Q72-H88 PolarHBondContact OE1-O 3.28Å
89S96.3Very high97.1Very high34 Ų3477 Ų7724%0.23837%0.374CS..  trans-149.6137.5172.5-178.80000109.5Q91 F92S89-Q91 PolarHBondContact OG-N 3.15Å; S89-F92 WeakPolarHBondContact OG-CD2 2.96Å; S89-F92 PolarHBondContact OG-N 3.36Å; S89-F92 VanDerWaalsContact OG-N 3.14Å
90N95.5Very high97.1Very high175 Ų17572.5 Ų72.594%0.93636%0.356SS*.SBendtrans-80-11.3169.6-64.3-21000111.9
91Q97.1Very high97.1Very high111 Ų11172.8 Ų72.852%0.51936%0.355SS..SBendtrans-103.7-28.9-175.5-60.6179.740.900112.5S89S89-Q91 PolarHBondContact OG-N 3.15Å
92F97.7Very high97.2Very high29 Ų2972.8 Ų72.813%0.12735%0.354CS..  trans-128.7127.5-174.4-48.4-66.6000110.8L69 S89 W94 V95 D142 P163L69-F92 HydrophobicContact CD1-CD2 4.47Å; L69-F92 HydrophobicContact CD1-CE2 4.28Å; S89-F92 WeakPolarHBondContact OG-CD2 2.96Å; S89-F92 PolarHBondContact OG-N 3.36Å; S89-F92 VanDerWaalsContact OG-N 3.14Å; F92-W94 PolarHBondContact O-N 3.43Å; F92-V95 HydrophobicContact CB-CG2 4.26Å; F92-D142 HydrophobicContact CE2-CB 3.82Å; F92-D142 HydrophobicContact CZ-CB 3.67Å; F92-D142 VanDerWaalsContact CZ-OD2 3.3Å; F92-D142 WeakPolarHBondContact CZ-OD2 3.5Å; F92-P163 HydrophobicContact CD1-CB 4.3Å
93S96.5Very high97.2Very high127 Ų12771.6 Ų71.689%0.88835%0.353SS*.SBendtrans-66.9-26.1174.855.60000113.1
94W97.4Very high97.2Very high106 Ų10666.4 Ų66.440%0.40234%0.341SS..  trans-133.9135.4177.1173.6-124000110.1F92 G164 G165 W167F92-W94 PolarHBondContact O-N 3.43Å; W94-G164 PolarHBondContact O-N 3.16Å; W94-G165 PolarHBondContact NE1-O 3.34Å; W94-W167 HydrophobicContact CB-CZ2 3.98Å; W94-W167 AromaticContact CD1-NE1 3.83Å; W94-W167 HydrophobicContact CG-CZ2 4.26Å
95V98.6Very high97.3Very high6 Ų661.5 Ų61.54%0.03632%0.319CS..  trans-123.8120.6177.5-179.20000108.5L69 R87 F92 N160 Y161L69-V95 HydrophobicContact CD2-CG1 3.73Å; L69-V95 HydrophobicContact CD2-CG2 4.04Å; R87-V95 HydrophobicContact CB-CB 3.95Å; R87-V95 HydrophobicContact CB-CG1 4.05Å; R87-V95 HydrophobicContact CG-CG1 4.47Å; R87-V95 PolarHBondContact NE-O 3.42Å; R87-V95 PolarHBondContact NH2-O 3.25Å; R87-V95 VanDerWaalsContact NH2-O 3.16Å; F92-V95 HydrophobicContact CB-CG2 4.26Å; V95-N160 HydrophobicContact CG1-CB 3.85Å; V95-Y161 CarbonylContact C-O 3.59Å; V95-Y161 VanDerWaalsContact CA-O 3.31Å; V95-Y161 WeakPolarHBondContact CA-O 2.93Å
96G98.6Very high97.4Very high1 Ų164.2 Ų64.21%0.0133%0.329CS..EExtended strand (participates in β ladder)trans-76.6161.8174.700000111.7Q134 N160 Y161G96-Q134 VanDerWaalsContact CA-OE1 3.26Å; G96-N160 CarbonylContact O-C 3.59Å; G96-N160 VanDerWaalsContact O-CA 3.27Å; G96-N160 WeakPolarHBondContact O-CA 3.23Å; G96-Y161 PolarHBondContact N-O 3.38Å; G96-Y161 PolarHBondContact O-N 2.96Å
97Q98.7Very high97.5Very high12 Ų1257.1 Ų57.16%0.05630%0.302CS..EExtended strand (participates in β ladder)trans-149.5133.3178.4-171.8172.571.600112.2H84 D85 I99 V158 C159 N160H84-Q97 PolarHBondContact CE1-O 3.07Å; H84-Q97 PolarHBondContact ND1-OE1 3.33Å; D85-Q97 PolarHBondContact OD1-NE2 3.15Å; Q97-I99 HydrophobicContact CG-CD1 4.45Å; Q97-I99 HydrophobicContact CG-CG1 3.99Å; Q97-V158 HydrophobicContact CG-CG1 4.05Å; Q97-C159 CarbonylContact C-O 3.59Å; Q97-C159 VanDerWaalsContact CA-O 3.27Å; Q97-C159 WeakPolarHBondContact CA-O 3.4Å; Q97-N160 WeakPolarHBondContact CG-OD1 3.38Å; Q97-N160 PolarHBondContact NE2-OD1 3.12Å
98N98.9Very high97.6Very high2 Ų254.8 Ų54.81%0.01129%0.293CS..EExtended strand (participates in β ladder)trans-114.8141.3167.4-71.3-1.1000109.1W112 H131 V158 C159 Y161N98-W112 HydrophobicContact CB-CD2 3.87Å; N98-W112 HydrophobicContact CB-CE3 4.03Å; N98-W112 HydrophobicContact CB-CH2 3.77Å; N98-W112 HydrophobicContact CB-CZ2 3.6Å; N98-W112 HydrophobicContact CB-CZ3 3.99Å; N98-H131 PolarHBondContact ND2-O 3.34Å; N98-V158 WeakPolarHBondContact O-CA 3.12Å; N98-C159 PolarHBondContact N-O 3.08Å; N98-C159 PolarHBondContact O-N 3.22Å; N98-Y161 HydrophobicContact CB-CE2 3.89Å; N98-Y161 PolarHBondContact ND2-OH 3.36Å; N98-Y161 VanDerWaalsContact ND2-OH 3.17Å
99I98.7Very high97.9Very high12 Ų1248.6 Ų48.66%0.06226%0.264CS..EExtended strand (participates in β ladder)trans-134133.9-179.2-48.8172.8000108.8L76 L82 Q97 W112 I157 V158L76-I99 HydrophobicContact CD2-CD1 3.68Å; L76-I99 HydrophobicContact CD2-CG1 4.16Å; L82-I99 HydrophobicContact CD2-CB 4.49Å; L82-I99 HydrophobicContact CD2-CG2 3.81Å; Q97-I99 HydrophobicContact CG-CD1 4.45Å; Q97-I99 HydrophobicContact CG-CG1 3.99Å; I99-W112 VanDerWaalsContact C-CZ2 3.45Å; I99-W112 PolarHBondContact O-NE1 3.07Å; I99-I157 WeakPolarHBondContact CA-O 3.47Å; I99-V158 HydrophobicContact CG2-CG2 4.19Å
100A98.1Very high98Very high11 Ų1148.6 Ų48.69%0.09126%0.262CS..EExtended strand (participates in β ladder)trans-141.9151.6176.300000111W112 S156 I157A100-W112 HydrophobicContact CB-CZ2 3.54Å; A100-S156 WeakPolarHBondContact O-CA 3.49Å; A100-I157 PolarHBondContact N-O 2.02Å; A100-I157 PolarHBondContact O-N 3.25Å
101L98.1Very high98.1Very high41 Ų4142.1 Ų42.122%0.21523%0.233CC..EExtended strand (participates in β ladder)trans-115.8113.1163.2-70.1174.1000106.9L82 C150 Y153 L155L82-L101 HydrophobicContact CD1-CD1 4.1Å; L82-L101 HydrophobicContact CD2-CB 4.42Å; L82-L101 HydrophobicContact CD2-CD1 4.13Å; L82-L101 HydrophobicContact CD2-CG 3.81Å; L82-L101 HydrophobicContact CG-CD1 3.79Å; L82-L101 HydrophobicContact CG-CG 4.06Å; L101-C150 HydrophobicContact CD2-CB 4.35Å; L101-Y153 HydrophobicContact CB-CG 4.37Å; L101-Y153 HydrophobicContact CD1-CD1 4.35Å; L101-Y153 HydrophobicContact CD1-CD2 3.75Å; L101-Y153 HydrophobicContact CD1-CE2 4.12Å; L101-Y153 HydrophobicContact CD1-CG 3.89Å; L101-Y153 HydrophobicContact CD2-CD2 4.21Å; L101-Y153 HydrophobicContact CD2-CG 4.42Å; L101-Y153 HydrophobicContact CG-CG 4.47Å; L101-L155 CarbonylContact C-O 3.5Å; L101-L155 VanDerWaalsContact CA-O 3.3Å; L101-L155 WeakPolarHBondContact CA-O 3.48Å
102H97.8Very high98.2Very high59 Ų5937.1 Ų37.127%0.27321%0.209SC..EExtended strand (participates in β ladder)trans-152.1151.3-172.3-134.1-82.6000111.6T104 S107 Y153 L155 I157H102-T104 VanDerWaalsContact C-N 3.28Å; H102-T104 PolarHBondContact O-N 3.3Å; H102-S107 WeakPolarHBondContact CE1-CB 3.46Å; H102-S107 PolarHBondContact CE1-O 3.36Å; H102-S107 PolarHBondContact CE1-OG 3.48Å; H102-S107 VanDerWaalsContact ND1-C 3.35Å; H102-S107 WeakPolarHBondContact ND1-CB 3.39Å; H102-S107 PolarHBondContact ND1-OG 3.15Å; H102-Y153 CarbonylContact C-O 3.58Å; H102-L155 PolarHBondContact N-O 3.24Å; H102-L155 WeakPolarHBondContact O-CA 3.45Å; H102-L155 WeakPolarHBondContact O-CB 3.41Å; H102-L155 PolarHBondContact O-N 2.76Å; H102-I157 HydrophobicContact CB-CD1 4.28Å
103P96.9Very high98.3Very high93 Ų9336.3 Ų36.360%0.60421%0.206SC*.SBendtrans-59.3-32.5-179.5-31.439.1000115.4
104T97.7Very high98.4Very high68 Ų6833.5 Ų33.542%0.41718%0.181SC..SBendtrans-139.2159.1-179.570.30000111.5H102 S107 G108H102-T104 VanDerWaalsContact C-N 3.28Å; H102-T104 PolarHBondContact O-N 3.3Å; T104-S107 PolarHBondContact N-OG 2.78Å; T104-S107 VanDerWaalsContact N-OG 3.13Å; T104-S107 PolarHBondContact O-N 3.41Å; T104-S107 PolarHBondContact O-OG 3.5Å; T104-S107 WeakPolarHBondContact OG1-CB 3.47Å; T104-S107 PolarHBondContact OG1-N 3Å; T104-S107 VanDerWaalsContact OG1-N 3.11Å; T104-S107 PolarHBondContact OG1-OG 3.43Å; T104-G108 PolarHBondContact O-N 3.02Å; T104-G108 VanDerWaalsContact O-N 3.07Å
105I98.6Very high98.5Very high5 Ų530.1 Ų30.13%0.02617%0.169CC..Hα-helixtrans-55-56.2173.9-74.6169000110.1K31 E34 L35 L38 S107 G108 V109 V147 L155K31-I105 HydrophobicContact CB-CD1 3.58Å; K31-I105 HydrophobicContact CD-CD1 4.26Å; K31-I105 HydrophobicContact CG-CD1 3.75Å; E34-I105 HydrophobicContact CB-CG2 4.36Å; E34-I105 HydrophobicContact CG-CG2 3.84Å; L35-I105 HydrophobicContact CD1-CD1 4.49Å; L35-I105 HydrophobicContact CD2-CG2 3.59Å; L35-I105 HydrophobicContact CG-CD1 4.45Å; L35-I105 HydrophobicContact CG-CG2 3.74Å; L38-I105 HydrophobicContact CD1-CG2 3.84Å; I105-S107 VanDerWaalsContact C-N 3.32Å; I105-S107 PolarHBondContact O-N 3.17Å; I105-G108 PolarHBondContact O-N 3.05Å; I105-G108 VanDerWaalsContact O-N 3.15Å; I105-V109 HydrophobicContact CG2-CG2 4.31Å; I105-V109 WeakPolarHBondContact O-CG2 3.39Å; I105-V109 PolarHBondContact O-N 2.9Å; I105-V147 HydrophobicContact CD1-CG1 4.49Å; I105-V147 HydrophobicContact CD1-CG2 4.06Å; I105-V147 HydrophobicContact CG1-CG1 4.39Å; I105-V147 HydrophobicContact CG1-CG2 4.13Å; I105-L155 HydrophobicContact CG1-CD1 4.03Å
106K98.6Very high98.5Very high97 Ų9730.6 Ų30.642%0.42217%0.171SC..Hα-helixtrans-48.8-52.6177.2-173.1-176.7-173.3-46.40112.3E34 L38 G108 V109 D110E34-K106 PolarHBondContact OE1-N 3.06Å; L38-K106 HydrophobicContact CD1-CB 4.35Å; L38-K106 HydrophobicContact CD2-CG 4.4Å; K106-G108 VanDerWaalsContact C-N 3.32Å; K106-G108 PolarHBondContact O-N 3.37Å; K106-V109 PolarHBondContact O-N 3.09Å; K106-D110 WeakPolarHBondContact CG-OD1 3.13Å; K106-D110 IonicContact NZ-OD1 2.64Å; K106-D110 PolarHBondContact NZ-OD1 3.38Å; K106-D110 IonicContact NZ-OD2 2.66Å; K106-D110 PolarHBondContact NZ-OD2 3.19Å; K106-D110 VanDerWaalsContact O-CB 3.26Å; K106-D110 WeakPolarHBondContact O-CB 3.19Å; K106-D110 PolarHBondContact O-N 3.11Å
107S98.3Very high98.5Very high31 Ų3137.5 Ų37.522%0.21720%0.201CC..Hα-helixtrans-66.7-32.2-175.258.10000113.3H102 T104 I105 A111H102-S107 WeakPolarHBondContact CE1-CB 3.46Å; H102-S107 PolarHBondContact CE1-O 3.36Å; H102-S107 PolarHBondContact CE1-OG 3.48Å; H102-S107 VanDerWaalsContact ND1-C 3.35Å; H102-S107 WeakPolarHBondContact ND1-CB 3.39Å; H102-S107 PolarHBondContact ND1-OG 3.15Å; T104-S107 PolarHBondContact N-OG 2.78Å; T104-S107 VanDerWaalsContact N-OG 3.13Å; T104-S107 PolarHBondContact O-N 3.41Å; T104-S107 PolarHBondContact O-OG 3.5Å; T104-S107 WeakPolarHBondContact OG1-CB 3.47Å; T104-S107 PolarHBondContact OG1-N 3Å; T104-S107 VanDerWaalsContact OG1-N 3.11Å; T104-S107 PolarHBondContact OG1-OG 3.43Å; I105-S107 VanDerWaalsContact C-N 3.32Å; I105-S107 PolarHBondContact O-N 3.17Å; S107-A111 WeakPolarHBondContact O-CB 3.33Å; S107-A111 PolarHBondContact O-N 3.49Å
108G98.5Very high98.4Very high0 Ų041 Ų410%022%0.22CC..Hα-helixtrans-69.4-44172.100000113.6T104 I105 K106 A111 W112T104-G108 PolarHBondContact O-N 3.02Å; T104-G108 VanDerWaalsContact O-N 3.07Å; I105-G108 PolarHBondContact O-N 3.05Å; I105-G108 VanDerWaalsContact O-N 3.15Å; K106-G108 VanDerWaalsContact C-N 3.32Å; K106-G108 PolarHBondContact O-N 3.37Å; G108-A111 WeakPolarHBondContact O-CB 3.36Å; G108-A111 PolarHBondContact O-N 2.94Å; G108-W112 PolarHBondContact O-N 3.47Å; G108-W112 VanDerWaalsContact O-N 3.15Å
109V98.9Very high98.4Very high0 Ų041.4 Ų41.40%022%0.221CC..Hα-helixtrans-69.3-38.4177.7-176.30000111.1L35 L38 Y42 I105 K106 A111 W112 F113 M135L35-V109 HydrophobicContact CD2-CG2 3.78Å; L38-V109 HydrophobicContact CB-CB 4.49Å; L38-V109 HydrophobicContact CB-CG1 3.95Å; L38-V109 HydrophobicContact CD1-CB 4.11Å; L38-V109 HydrophobicContact CD1-CG1 4.47Å; L38-V109 HydrophobicContact CD1-CG2 4.1Å; Y42-V109 HydrophobicContact CD2-CG1 4.03Å; Y42-V109 HydrophobicContact CE2-CG1 3.88Å; I105-V109 HydrophobicContact CG2-CG2 4.31Å; I105-V109 WeakPolarHBondContact O-CG2 3.39Å; I105-V109 PolarHBondContact O-N 2.9Å; K106-V109 PolarHBondContact O-N 3.09Å; V109-A111 VanDerWaalsContact C-N 3.3Å; V109-A111 PolarHBondContact O-N 3.28Å; V109-W112 HydrophobicContact CG2-CE3 4.34Å; V109-W112 HydrophobicContact CG2-CZ3 4.24Å; V109-W112 PolarHBondContact O-N 2.79Å; V109-F113 WeakPolarHBondContact O-CB 3.26Å; V109-F113 PolarHBondContact O-N 3.44Å; V109-M135 HydrophobicContact CG1-CE 3.5Å; V109-M135 VanDerWaalsContact CG1-CE 3.5Å; V109-M135 HydrophobicContact CG1-SD 4.5Å
110D98.8Very high98.4Very high34 Ų3444.2 Ų44.218%0.18224%0.236CC..Hα-helixtrans-57.2-44170.6-75.722.1000110.4Y42 K106 F113 N114Y42-D110 PolarHBondContact OH-OD1 3.33Å; K106-D110 WeakPolarHBondContact CG-OD1 3.13Å; K106-D110 IonicContact NZ-OD1 2.64Å; K106-D110 PolarHBondContact NZ-OD1 3.38Å; K106-D110 IonicContact NZ-OD2 2.66Å; K106-D110 PolarHBondContact NZ-OD2 3.19Å; K106-D110 VanDerWaalsContact O-CB 3.26Å; K106-D110 WeakPolarHBondContact O-CB 3.19Å; K106-D110 PolarHBondContact O-N 3.11Å; D110-F113 PolarHBondContact O-N 2.63Å; D110-N114 WeakPolarHBondContact O-CB 3.4Å; D110-N114 VanDerWaalsContact O-CG 3.27Å; D110-N114 PolarHBondContact O-N 3.07Å; D110-N114 PolarHBondContact O-ND2 3.05Å
111A98.7Very high98.4Very high40 Ų4045.1 Ų45.133%0.33124%0.237SC..Hα-helixtrans-61.3-48-18000000111.6S107 G108 V109 F113 N114S107-A111 WeakPolarHBondContact O-CB 3.33Å; S107-A111 PolarHBondContact O-N 3.49Å; G108-A111 WeakPolarHBondContact O-CB 3.36Å; G108-A111 PolarHBondContact O-N 2.94Å; V109-A111 VanDerWaalsContact C-N 3.3Å; V109-A111 PolarHBondContact O-N 3.28Å; A111-F113 PolarHBondContact O-N 3.19Å; A111-N114 PolarHBondContact O-N 3.07Å
112W98.9Very high98.4Very high6 Ų649.7 Ų49.72%0.02326%0.262CS..Hα-helixtrans-58.6-46.8173.8-66.8-28.5000112.2N98 I99 A100 G108 V109 E115 H131 Y132 M135 I157 C159N98-W112 HydrophobicContact CB-CD2 3.87Å; N98-W112 HydrophobicContact CB-CE3 4.03Å; N98-W112 HydrophobicContact CB-CH2 3.77Å; N98-W112 HydrophobicContact CB-CZ2 3.6Å; N98-W112 HydrophobicContact CB-CZ3 3.99Å; I99-W112 VanDerWaalsContact C-CZ2 3.45Å; I99-W112 PolarHBondContact O-NE1 3.07Å; A100-W112 HydrophobicContact CB-CZ2 3.54Å; G108-W112 PolarHBondContact O-N 3.47Å; G108-W112 VanDerWaalsContact O-N 3.15Å; V109-W112 HydrophobicContact CG2-CE3 4.34Å; V109-W112 HydrophobicContact CG2-CZ3 4.24Å; V109-W112 PolarHBondContact O-N 2.79Å; W112-E115 WeakPolarHBondContact O-CB 3.34Å; W112-E115 WeakPolarHBondContact O-CG 3.32Å; W112-E115 PolarHBondContact O-N 3.22Å; W112-H131 HydrophobicContact CB-CB 3.66Å; W112-H131 VanDerWaalsContact CD1-CB 3.42Å; W112-H131 AromaticContact CD1-CD2 3.76Å; W112-H131 AromaticContact CD1-CG 3.35Å; W112-H131 AromaticContact CD1-ND1 3.66Å; W112-H131 HydrophobicContact CG-CB 3.64Å; W112-H131 AromaticContact NE1-CD2 3.75Å; W112-H131 AromaticContact NE1-CG 3.84Å; W112-Y132 WeakPolarHBondContact O-CA 3.4Å; W112-Y132 WeakPolarHBondContact O-CB 3.49Å; W112-Y132 PolarHBondContact O-N 3.33Å; W112-M135 HydrophobicContact CB-SD 3.49Å; W112-M135 WeakPolarHBondContact CB-SD 3.3Å; W112-M135 HydrophobicContact CE3-SD 4.27Å; W112-M135 HydrophobicContact CG-SD 4.49Å; W112-I157 HydrophobicContact CH2-CB 4.32Å; W112-I157 HydrophobicContact CH2-CG2 3.74Å; W112-I157 HydrophobicContact CZ3-CG2 4.28Å; W112-C159 HydrophobicContact CH2-CB 4.4Å; W112-C159 HydrophobicContact CZ3-CB 4.32Å
113F98.8Very high98.4Very high12 Ų1251.3 Ų51.35%0.05328%0.276CS..Hα-helixtrans-69.7-36.1-176.5-166.5-108.1000112.5Y42 L46 V51 V109 D110 A111 E115 H116 Y132 M135Y42-F113 HydrophobicContact CD1-CB 4.45Å; Y42-F113 AromaticContact CD1-CD1 3.29Å; Y42-F113 HydrophobicContact CD1-CD1 3.29Å; Y42-F113 HydrophobicContact CD1-CD2 4.23Å; Y42-F113 AromaticContact CD1-CE1 3.38Å; Y42-F113 HydrophobicContact CD1-CE1 3.38Å; Y42-F113 HydrophobicContact CD1-CE2 4.31Å; Y42-F113 AromaticContact CD1-CG 3.73Å; Y42-F113 HydrophobicContact CD1-CG 3.73Å; Y42-F113 AromaticContact CD1-CZ 3.89Å; Y42-F113 HydrophobicContact CD1-CZ 3.89Å; Y42-F113 HydrophobicContact CD2-CB 4.08Å; Y42-F113 HydrophobicContact CD2-CD1 4.39Å; Y42-F113 HydrophobicContact CD2-CD2 4.33Å; Y42-F113 HydrophobicContact CD2-CG 4.01Å; Y42-F113 AromaticContact CE1-CD1 3.58Å; Y42-F113 HydrophobicContact CE1-CD1 3.58Å; Y42-F113 AromaticContact CE1-CE1 3.99Å; Y42-F113 HydrophobicContact CE1-CE1 3.99Å; Y42-F113 HydrophobicContact CE1-CG 4.15Å; Y42-F113 HydrophobicContact CE2-CB 4.17Å; Y42-F113 HydrophobicContact CE2-CG 4.41Å; Y42-F113 HydrophobicContact CG-CB 4.24Å; Y42-F113 AromaticContact CG-CD1 3.76Å; Y42-F113 HydrophobicContact CG-CD1 3.76Å; Y42-F113 AromaticContact CG-CD2 3.84Å; Y42-F113 HydrophobicContact CG-CD2 3.84Å; Y42-F113 AromaticContact CG-CE1 3.98Å; Y42-F113 HydrophobicContact CG-CE1 3.98Å; Y42-F113 HydrophobicContact CG-CE2 4.08Å; Y42-F113 AromaticContact CG-CG 3.66Å; Y42-F113 HydrophobicContact CG-CG 3.66Å; Y42-F113 HydrophobicContact CG-CZ 4.12Å; L46-F113 HydrophobicContact CD1-CE2 4.27Å; L46-F113 HydrophobicContact CD1-CZ 4.49Å; L46-F113 HydrophobicContact CG-CZ 4.27Å; V51-F113 HydrophobicContact CG1-CE1 4.32Å; V51-F113 HydrophobicContact CG1-CZ 4.34Å; V51-F113 HydrophobicContact CG2-CE1 3.95Å; V51-F113 HydrophobicContact CG2-CZ 3.74Å; V109-F113 WeakPolarHBondContact O-CB 3.26Å; V109-F113 PolarHBondContact O-N 3.44Å; D110-F113 PolarHBondContact O-N 2.63Å; A111-F113 PolarHBondContact O-N 3.19Å; F113-E115 PolarHBondContact O-N 3.42Å; F113-E115 VanDerWaalsContact O-N 3.1Å; F113-H116 WeakPolarHBondContact O-CB 3.49Å; F113-H116 PolarHBondContact O-CD2 3.29Å; F113-H116 VanDerWaalsContact O-CD2 3.22Å; F113-H116 PolarHBondContact O-N 2.88Å; F113-Y132 AromaticContact CD2-CD2 3.91Å; F113-Y132 HydrophobicContact CD2-CD2 3.91Å; F113-Y132 HydrophobicContact CD2-CE2 4.24Å; F113-Y132 AromaticContact CE2-CD2 3.98Å; F113-Y132 HydrophobicContact CE2-CD2 3.98Å; F113-Y132 AromaticContact CE2-CE2 3.82Å; F113-Y132 HydrophobicContact CE2-CE2 3.82Å; F113-Y132 HydrophobicContact CZ-CE2 4.35Å; F113-Y132 WeakPolarHBondContact O-CD2 3.39Å; F113-M135 HydrophobicContact CB-CE 4.02Å; F113-M135 HydrophobicContact CB-SD 4.15Å; F113-M135 HydrophobicContact CD2-CE 4.07Å; F113-M135 HydrophobicContact CD2-SD 4.43Å; F113-M135 HydrophobicContact CG-CE 4.45Å
114N98.7Very high98.4Very high68 Ų6849 Ų4936%0.36426%0.258SS..Hα-helixtrans-61.7-16.3178-85.4-55.7000113.7D110 A111 H116 K117D110-N114 WeakPolarHBondContact O-CB 3.4Å; D110-N114 VanDerWaalsContact O-CG 3.27Å; D110-N114 PolarHBondContact O-N 3.07Å; D110-N114 PolarHBondContact O-ND2 3.05Å; A111-N114 PolarHBondContact O-N 3.07Å; N114-H116 PolarHBondContact O-N 3.3Å; N114-H116 VanDerWaalsContact O-N 3.09Å; N114-K117 WeakPolarHBondContact O-CG 3.4Å; N114-K117 PolarHBondContact O-N 2.78Å; N114-K117 PolarHBondContact OD1-NZ 3.03Å
115E98.8Very high98.4Very high34 Ų3450.3 Ų50.316%0.15926%0.263CS..G310 helixtrans-62.4-10.2169.9-60.3178.5176.800113.2W112 F113 K117 L118 Y119 C129 L130 H131 Y132W112-E115 WeakPolarHBondContact O-CB 3.34Å; W112-E115 WeakPolarHBondContact O-CG 3.32Å; W112-E115 PolarHBondContact O-N 3.22Å; F113-E115 PolarHBondContact O-N 3.42Å; F113-E115 VanDerWaalsContact O-N 3.1Å; E115-K117 PolarHBondContact O-N 2.9Å; E115-L118 WeakPolarHBondContact O-CA 3.5Å; E115-L118 WeakPolarHBondContact O-CB 3.38Å; E115-L118 PolarHBondContact O-N 3.28Å; E115-Y119 PolarHBondContact O-N 3.1Å; E115-C129 HydrophobicContact CB-CB 4.07Å; E115-C129 WeakPolarHBondContact OE2-CA 3.45Å; E115-L130 PolarHBondContact OE2-N 3.39Å; E115-H131 IonicContact OE1-CE1 3.14Å; E115-H131 IonicContact OE1-CG 2.77Å; E115-H131 IonicContact OE1-ND1 3.7Å; E115-H131 PolarHBondContact OE1-ND1 2.73Å; E115-H131 VanDerWaalsContact OE2-CB 3.26Å; E115-H131 WeakPolarHBondContact OE2-CB 3.49Å; E115-H131 IonicContact OE2-CG 2.88Å; E115-H131 PolarHBondContact OE2-N 2.89Å; E115-H131 IonicContact OE2-ND1 2.63Å; E115-H131 PolarHBondContact OE2-ND1 2.9Å; E115-Y132 PolarHBondContact OE2-N 2.98Å
116H98.7Very high98.2Very high17 Ų1751.6 Ų51.68%0.07927%0.272CS..G310 helixtrans-52-27168.481.987.1000112.7V51 D52 Q54 F113 N114 L118 Y119 Y132V51-H116 HydrophobicContact CG1-CB 4.24Å; D52-H116 PolarHBondContact O-CE1 3.4Å; D52-H116 VanDerWaalsContact O-CE1 3.24Å; D52-H116 PolarHBondContact O-ND1 3.44Å; D52-H116 VanDerWaalsContact O-ND1 3.13Å; Q54-H116 HydrophobicContact CG-CB 4.13Å; Q54-H116 PolarHBondContact NE2-O 2.77Å; F113-H116 WeakPolarHBondContact O-CB 3.49Å; F113-H116 PolarHBondContact O-CD2 3.29Å; F113-H116 VanDerWaalsContact O-CD2 3.22Å; F113-H116 PolarHBondContact O-N 2.88Å; N114-H116 PolarHBondContact O-N 3.3Å; N114-H116 VanDerWaalsContact O-N 3.09Å; H116-L118 PolarHBondContact O-N 3.11Å; H116-Y119 PolarHBondContact O-N 3.35Å; H116-Y132 HydrophobicContact CB-CD1 4.2Å; H116-Y132 HydrophobicContact CB-CD2 3.49Å; H116-Y132 VanDerWaalsContact CB-CD2 3.49Å; H116-Y132 HydrophobicContact CB-CE1 4.12Å; H116-Y132 HydrophobicContact CB-CE2 3.38Å; H116-Y132 HydrophobicContact CB-CG 3.9Å
117K98.4Very high98.1Very high145 Ų14551.1 Ų51.163%0.6328%0.279SS*.G310 helixtrans-71.1-20.3177.9-61.4169.7-171.8164.20112.7N114 E115N114-K117 WeakPolarHBondContact O-CG 3.4Å; N114-K117 PolarHBondContact O-N 2.78Å; N114-K117 PolarHBondContact OD1-NZ 3.03Å; E115-K117 PolarHBondContact O-N 2.9Å
118L98.3Very high98Very high87 Ų8756.6 Ų56.646%0.45530%0.301SS..G310 helixtrans-100.8-3.1-179.4-56.3177.6000112.3E115 H116 P127 Q128 C129E115-L118 WeakPolarHBondContact O-CA 3.5Å; E115-L118 WeakPolarHBondContact O-CB 3.38Å; E115-L118 PolarHBondContact O-N 3.28Å; H116-L118 PolarHBondContact O-N 3.11Å; L118-P127 WeakPolarHBondContact O-CD 3.34Å; L118-Q128 HydrophobicContact CD1-CB 4.07Å; L118-Q128 WeakPolarHBondContact CD1-O 3.48Å; L118-C129 HydrophobicContact CB-CB 4.3Å
119Y98.6Very high98Very high9 Ų956.6 Ų56.64%0.03530%0.301CS..  trans-99126.6179.1-179.3-121.1000111.6Q54 E115 H116 Y121 N124 N125 C126 C129 Y132 T133 P172Q54-Y119 PolarHBondContact NE2-O 3.09Å; E115-Y119 PolarHBondContact O-N 3.1Å; H116-Y119 PolarHBondContact O-N 3.35Å; Y119-Y121 AromaticContact CE1-CD2 3.82Å; Y119-Y121 HydrophobicContact CE1-CD2 3.82Å; Y119-Y121 HydrophobicContact CE1-CG 4.2Å; Y119-N124 PolarHBondContact OH-OD1 3.38Å; Y119-N125 WeakPolarHBondContact CD2-O 3.42Å; Y119-C126 HydrophobicContact CD2-CB 4.05Å; Y119-C126 HydrophobicContact CE2-CB 4.5Å; Y119-C129 WeakPolarHBondContact CB-SG 3.4Å; Y119-C129 WeakPolarHBondContact CD2-SG 3.46Å; Y119-Y132 HydrophobicContact CD1-CD1 4.23Å; Y119-Y132 AromaticContact CD1-CE1 3.52Å; Y119-Y132 HydrophobicContact CD1-CE1 3.52Å; Y119-Y132 HydrophobicContact CE1-CE1 4.26Å; Y119-Y132 HydrophobicContact CG-CD1 4.23Å; Y119-Y132 AromaticContact CG-CE1 3.97Å; Y119-Y132 HydrophobicContact CG-CE1 3.97Å; Y119-T133 HydrophobicContact CD2-CG2 3.88Å; Y119-T133 HydrophobicContact CE2-CG2 3.97Å; Y119-T133 HydrophobicContact CG-CG2 4.18Å; Y119-P172 HydrophobicContact CE1-CG 4.1Å; Y119-P172 WeakPolarHBondContact OH-CD 3.03Å
120N98.3Very high97.9Very high72 Ų7261.4 Ų61.439%0.38533%0.327SS..BIsolated β-bridgetrans-101.5103.4169.9-176.8-48.6000109.9N122 T123 N124 N125N120-N122 VanDerWaalsContact C-N 3.33Å; N120-N122 PolarHBondContact O-N 3.17Å; N120-N122 PolarHBondContact OD1-N 3.48Å; N120-N122 VanDerWaalsContact OD1-N 3.11Å; N120-T123 WeakPolarHBondContact CB-OG1 3.45Å; N120-T123 PolarHBondContact O-N 3.46Å; N120-T123 PolarHBondContact OD1-N 2.84Å; N120-T123 PolarHBondContact OD1-OG1 3.46Å; N120-N124 VanDerWaalsContact O-CA 3.29Å; N120-N124 WeakPolarHBondContact O-CA 3.36Å; N120-N124 PolarHBondContact O-N 2.8Å; N120-N125 HydrophobicContact CB-CB 4.37Å; N120-N125 PolarHBondContact N-O 2.87Å; N120-N125 PolarHBondContact O-N 3.41Å
121Y98.5Very high97.9Very high30 Ų3062.3 Ų62.312%0.11833%0.329CS..THydrogen-bonded Turntrans-58.6-41-178-175-79000113.1P55 Y119 N124 K171 Y173 V175P55-Y121 HydrophobicContact CG-CD1 3.55Å; P55-Y121 HydrophobicContact CG-CD2 3.72Å; P55-Y121 HydrophobicContact CG-CE1 4.09Å; P55-Y121 HydrophobicContact CG-CE2 4.26Å; P55-Y121 HydrophobicContact CG-CG 3.38Å; Y119-Y121 AromaticContact CE1-CD2 3.82Å; Y119-Y121 HydrophobicContact CE1-CD2 3.82Å; Y119-Y121 HydrophobicContact CE1-CG 4.2Å; Y121-N124 PolarHBondContact O-N 2.96Å; Y121-K171 HydrophobicContact CD1-CD 4.04Å; Y121-K171 HydrophobicContact CE1-CD 3.49Å; Y121-K171 VanDerWaalsContact CE1-CD 3.49Å; Y121-K171 HydrophobicContact CE2-CB 4.2Å; Y121-K171 HydrophobicContact CE2-CD 4.06Å; Y121-K171 VanDerWaalsContact CZ-CD 3.47Å; Y121-K171 WeakPolarHBondContact O-CD 3.26Å; Y121-K171 WeakPolarHBondContact O-CE 3.24Å; Y121-Y173 HydrophobicContact CD2-CE1 4.38Å; Y121-Y173 AromaticContact CD2-CE2 3.98Å; Y121-Y173 HydrophobicContact CD2-CE2 3.98Å; Y121-Y173 AromaticContact CD2-CZ 3.83Å; Y121-Y173 AromaticContact CE2-CD2 3.87Å; Y121-Y173 HydrophobicContact CE2-CD2 3.87Å; Y121-Y173 HydrophobicContact CE2-CE1 4.33Å; Y121-Y173 AromaticContact CE2-CE2 3.58Å; Y121-Y173 HydrophobicContact CE2-CE2 3.58Å; Y121-Y173 HydrophobicContact CE2-CG 4.4Å; Y121-Y173 AromaticContact CE2-CZ 3.84Å; Y121-Y173 PolarHBondContact OH-O 2.84Å; Y121-V175 HydrophobicContact CD1-CG2 4.19Å; Y121-V175 HydrophobicContact CE1-CG2 3.45Å; Y121-V175 VanDerWaalsContact CE1-CG2 3.45Å; Y121-V175 HydrophobicContact CE2-CG2 3.9Å; Y121-V175 WeakPolarHBondContact OH-CG2 3.35Å
122N97.2Very high97.9Very high136 Ų13660.4 Ų60.473%0.72731%0.314SS*.THydrogen-bonded Turntrans-65.3-45.9-174.1-67.2-23.4000111.9N120N120-N122 VanDerWaalsContact C-N 3.33Å; N120-N122 PolarHBondContact O-N 3.17Å; N120-N122 PolarHBondContact OD1-N 3.48Å; N120-N122 VanDerWaalsContact OD1-N 3.11Å
123T97.6Very high97.9Very high94 Ų9460.3 Ų60.358%0.57731%0.314SS*.THydrogen-bonded Turntrans-86-9.4179.358.20000113.1N120 N125N120-T123 WeakPolarHBondContact CB-OG1 3.45Å; N120-T123 PolarHBondContact O-N 3.46Å; N120-T123 PolarHBondContact OD1-N 2.84Å; N120-T123 PolarHBondContact OD1-OG1 3.46Å; T123-N125 PolarHBondContact O-N 3.41Å; T123-N125 WeakPolarHBondContact OG1-CB 3.37Å; T123-N125 PolarHBondContact OG1-N 3.32Å
124N97.3Very high97.9Very high43 Ų4359.9 Ų59.923%0.2331%0.312CS..THydrogen-bonded Turntrans55.526.2-168.6-157.629.6000113.3Y119 N120 Y121 E170 K171Y119-N124 PolarHBondContact OH-OD1 3.38Å; N120-N124 VanDerWaalsContact O-CA 3.29Å; N120-N124 WeakPolarHBondContact O-CA 3.36Å; N120-N124 PolarHBondContact O-N 2.8Å; Y121-N124 PolarHBondContact O-N 2.96Å; N124-E170 PolarHBondContact ND2-O 2.67Å; N124-K171 HydrophobicContact CB-CG 4.3Å
125N97.5Very high97.9Very high96 Ų9656.9 Ų56.951%0.51330%0.296SS..BIsolated β-bridgetrans-81.6130.9-179.9-176.846.3000110.8Y119 N120 T123Y119-N125 WeakPolarHBondContact CD2-O 3.42Å; N120-N125 HydrophobicContact CB-CB 4.37Å; N120-N125 PolarHBondContact N-O 2.87Å; N120-N125 PolarHBondContact O-N 3.41Å; T123-N125 PolarHBondContact O-N 3.41Å; T123-N125 WeakPolarHBondContact OG1-CB 3.37Å; T123-N125 PolarHBondContact OG1-N 3.32Å
126C95.8Very high97.9Very high33 Ų3355.2 Ų55.222%0.22329%0.288CS..  trans-143.278.6-174-174.80000111.4Y119 C129Y119-C126 HydrophobicContact CD2-CB 4.05Å; Y119-C126 HydrophobicContact CE2-CB 4.5Å; C126-C129 WeakPolarHBondContact CA-SG 3.37Å; C126-C129 HydrophobicContact CB-CB 4.38Å; C126-C129 WeakPolarHBondContact CB-SG 3.4Å; C126-C129 WeakPolarHBondContact SG-CA 3.21Å; C126-C129 WeakPolarHBondContact SG-CB 3.41Å; C126-C129 PolarHBondContact SG-N 3.03Å; C126-C129 VanDerWaalsContact SG-N 3.36Å; C126-C129 CovalentContact SG-SG 2.02Å; C126-C129 PolarHBondContact SG-SG 3.41Å
127P94.7Very high97.9Very high86 Ų8654.7 Ų54.756%0.55829%0.285SS*.SBendtrans-65.4-42.3179.324-33.2000112.6L118L118-P127 WeakPolarHBondContact O-CD 3.34Å
128Q96.4Very high97.9Very high146 Ų14648.5 Ų48.568%0.68226%0.261SS*.SBendtrans-148.556.4-176.5-64.7-178.1-62.300110.2L118L118-Q128 HydrophobicContact CD1-CB 4.07Å; L118-Q128 WeakPolarHBondContact CD1-O 3.48Å
129C98.2Very high97.9Very high0 Ų050.4 Ų50.40%027%0.266CS..  trans-135.412.2-172.688.50000115.9E115 L118 Y119 C126 H131 Y132 T133E115-C129 HydrophobicContact CB-CB 4.07Å; E115-C129 WeakPolarHBondContact OE2-CA 3.45Å; L118-C129 HydrophobicContact CB-CB 4.3Å; Y119-C129 WeakPolarHBondContact CB-SG 3.4Å; Y119-C129 WeakPolarHBondContact CD2-SG 3.46Å; C126-C129 WeakPolarHBondContact CA-SG 3.37Å; C126-C129 HydrophobicContact CB-CB 4.38Å; C126-C129 WeakPolarHBondContact CB-SG 3.4Å; C126-C129 WeakPolarHBondContact SG-CA 3.21Å; C126-C129 WeakPolarHBondContact SG-CB 3.41Å; C126-C129 PolarHBondContact SG-N 3.03Å; C126-C129 VanDerWaalsContact SG-N 3.36Å; C126-C129 CovalentContact SG-SG 2.02Å; C126-C129 PolarHBondContact SG-SG 3.41Å; C129-H131 PolarHBondContact O-N 2.99Å; C129-Y132 WeakPolarHBondContact O-CB 3.26Å; C129-Y132 PolarHBondContact O-N 3.22Å; C129-Y132 VanDerWaalsContact O-N 3.08Å; C129-T133 PolarHBondContact O-N 2.96Å; C129-T133 PolarHBondContact O-OG1 2.97Å
130L98.2Very high98Very high102 Ų10250 Ų5053%0.53427%0.265SS..Hα-helixtrans-66.5-22.8-171.2-68.2178.4000113.1E115 T133 Q134 N166E115-L130 PolarHBondContact OE2-N 3.39Å; L130-T133 WeakPolarHBondContact CA-OG1 2.95Å; L130-T133 PolarHBondContact O-OG1 3.27Å; L130-Q134 VanDerWaalsContact O-CB 3.32Å; L130-Q134 WeakPolarHBondContact O-CB 3.49Å; L130-Q134 PolarHBondContact O-N 3.34Å; L130-N166 PolarHBondContact O-ND2 2.86Å
131H98.7Very high98Very high52 Ų5248.9 Ų48.924%0.24126%0.26CS..Hα-helixtrans-73.1-44.5173-54.1117.3000110.5N98 W112 E115 C129 Q134 M135N98-H131 PolarHBondContact ND2-O 3.34Å; W112-H131 HydrophobicContact CB-CB 3.66Å; W112-H131 VanDerWaalsContact CD1-CB 3.42Å; W112-H131 AromaticContact CD1-CD2 3.76Å; W112-H131 AromaticContact CD1-CG 3.35Å; W112-H131 AromaticContact CD1-ND1 3.66Å; W112-H131 HydrophobicContact CG-CB 3.64Å; W112-H131 AromaticContact NE1-CD2 3.75Å; W112-H131 AromaticContact NE1-CG 3.84Å; E115-H131 IonicContact OE1-CE1 3.14Å; E115-H131 IonicContact OE1-CG 2.77Å; E115-H131 IonicContact OE1-ND1 3.7Å; E115-H131 PolarHBondContact OE1-ND1 2.73Å; E115-H131 VanDerWaalsContact OE2-CB 3.26Å; E115-H131 WeakPolarHBondContact OE2-CB 3.49Å; E115-H131 IonicContact OE2-CG 2.88Å; E115-H131 PolarHBondContact OE2-N 2.89Å; E115-H131 IonicContact OE2-ND1 2.63Å; E115-H131 PolarHBondContact OE2-ND1 2.9Å; C129-H131 PolarHBondContact O-N 2.99Å; H131-Q134 PolarHBondContact O-N 3.49Å; H131-M135 WeakPolarHBondContact O-CG 3.5Å; H131-M135 PolarHBondContact O-N 3.35Å
132Y98.9Very high98Very high0 Ų047.6 Ų47.60%026%0.255CS..Hα-helixtrans-59.7-50.4174.5161.9-101.4000111.8L46 W112 F113 E115 H116 Y119 C129 Q134 M135 A136L46-Y132 HydrophobicContact CD1-CE2 4.4Å; W112-Y132 WeakPolarHBondContact O-CA 3.4Å; W112-Y132 WeakPolarHBondContact O-CB 3.49Å; W112-Y132 PolarHBondContact O-N 3.33Å; F113-Y132 AromaticContact CD2-CD2 3.91Å; F113-Y132 HydrophobicContact CD2-CD2 3.91Å; F113-Y132 HydrophobicContact CD2-CE2 4.24Å; F113-Y132 AromaticContact CE2-CD2 3.98Å; F113-Y132 HydrophobicContact CE2-CD2 3.98Å; F113-Y132 AromaticContact CE2-CE2 3.82Å; F113-Y132 HydrophobicContact CE2-CE2 3.82Å; F113-Y132 HydrophobicContact CZ-CE2 4.35Å; F113-Y132 WeakPolarHBondContact O-CD2 3.39Å; E115-Y132 PolarHBondContact OE2-N 2.98Å; H116-Y132 HydrophobicContact CB-CD1 4.2Å; H116-Y132 HydrophobicContact CB-CD2 3.49Å; H116-Y132 VanDerWaalsContact CB-CD2 3.49Å; H116-Y132 HydrophobicContact CB-CE1 4.12Å; H116-Y132 HydrophobicContact CB-CE2 3.38Å; H116-Y132 HydrophobicContact CB-CG 3.9Å; Y119-Y132 HydrophobicContact CD1-CD1 4.23Å; Y119-Y132 AromaticContact CD1-CE1 3.52Å; Y119-Y132 HydrophobicContact CD1-CE1 3.52Å; Y119-Y132 HydrophobicContact CE1-CE1 4.26Å; Y119-Y132 HydrophobicContact CG-CD1 4.23Å; Y119-Y132 AromaticContact CG-CE1 3.97Å; Y119-Y132 HydrophobicContact CG-CE1 3.97Å; C129-Y132 WeakPolarHBondContact O-CB 3.26Å; C129-Y132 PolarHBondContact O-N 3.22Å; C129-Y132 VanDerWaalsContact O-N 3.08Å; Y132-Q134 PolarHBondContact O-N 3.32Å; Y132-M135 WeakPolarHBondContact O-CB 3.5Å; Y132-M135 PolarHBondContact O-N 2.96Å; Y132-A136 HydrophobicContact CD2-CB 4.5Å; Y132-A136 HydrophobicContact CE1-CB 4.4Å; Y132-A136 HydrophobicContact CE2-CB 4Å; Y132-A136 WeakPolarHBondContact O-CB 3.29Å; Y132-A136 PolarHBondContact O-N 3.41Å
133T98.6Very high98.1Very high5 Ų541.1 Ų41.13%0.03122%0.221CC..Hα-helixtrans-63.6-32.9-177.353.30000111.5Y119 C129 L130 A136 W137 N166 P172Y119-T133 HydrophobicContact CD2-CG2 3.88Å; Y119-T133 HydrophobicContact CE2-CG2 3.97Å; Y119-T133 HydrophobicContact CG-CG2 4.18Å; C129-T133 PolarHBondContact O-N 2.96Å; C129-T133 PolarHBondContact O-OG1 2.97Å; L130-T133 WeakPolarHBondContact CA-OG1 2.95Å; L130-T133 PolarHBondContact O-OG1 3.27Å; T133-A136 PolarHBondContact O-N 2.99Å; T133-W137 PolarHBondContact O-N 3.24Å; T133-N166 WeakPolarHBondContact CB-OD1 3.41Å; T133-N166 PolarHBondContact OG1-OD1 2.88Å; T133-P172 HydrophobicContact CG2-CG 4.45Å
134Q98.8Very high98.1Very high3 Ų336.6 Ų36.61%0.01419%0.193CC..Hα-helixtrans-65.7-44.7171.7-178.356.383.600112.3G96 L130 H131 Y132 A136 W137 Y161 G165 N166G96-Q134 VanDerWaalsContact CA-OE1 3.26Å; L130-Q134 VanDerWaalsContact O-CB 3.32Å; L130-Q134 WeakPolarHBondContact O-CB 3.49Å; L130-Q134 PolarHBondContact O-N 3.34Å; H131-Q134 PolarHBondContact O-N 3.49Å; Y132-Q134 PolarHBondContact O-N 3.32Å; Q134-A136 VanDerWaalsContact C-N 3.3Å; Q134-A136 PolarHBondContact O-N 3.49Å; Q134-W137 WeakPolarHBondContact O-CB 3.12Å; Q134-W137 PolarHBondContact O-N 2.86Å; Q134-Y161 HydrophobicContact CG-CD1 4.36Å; Q134-Y161 HydrophobicContact CG-CD2 3.35Å; Q134-Y161 HydrophobicContact CG-CE2 3.57Å; Q134-Y161 HydrophobicContact CG-CG 3.79Å; Q134-G165 VanDerWaalsContact NE2-N 3.14Å; Q134-N166 PolarHBondContact N-OD1 3.43Å
135M98.9Very high98.2Very high4 Ų434.8 Ų34.82%0.0218%0.183CC..Hα-helixtrans-62.6-39176.3-69.9178.370.300112Y42 R43 V109 W112 F113 H131 Y132 W137Y42-M135 HydrophobicContact CD2-CE 3.87Å; R43-M135 WeakPolarHBondContact CG-O 3.43Å; R43-M135 PolarHBondContact NH1-O 3.37Å; V109-M135 HydrophobicContact CG1-CE 3.5Å; V109-M135 VanDerWaalsContact CG1-CE 3.5Å; V109-M135 HydrophobicContact CG1-SD 4.5Å; W112-M135 HydrophobicContact CB-SD 3.49Å; W112-M135 WeakPolarHBondContact CB-SD 3.3Å; W112-M135 HydrophobicContact CE3-SD 4.27Å; W112-M135 HydrophobicContact CG-SD 4.49Å; F113-M135 HydrophobicContact CB-CE 4.02Å; F113-M135 HydrophobicContact CB-SD 4.15Å; F113-M135 HydrophobicContact CD2-CE 4.07Å; F113-M135 HydrophobicContact CD2-SD 4.43Å; F113-M135 HydrophobicContact CG-CE 4.45Å; H131-M135 WeakPolarHBondContact O-CG 3.5Å; H131-M135 PolarHBondContact O-N 3.35Å; Y132-M135 WeakPolarHBondContact O-CB 3.5Å; Y132-M135 PolarHBondContact O-N 2.96Å; M135-W137 PolarHBondContact O-N 3.41Å
136A98.8Very high98.2Very high0 Ų030.3 Ų30.30%016%0.16CC..THydrogen-bonded Turntrans-81.25.3-179.100000113.6L46 M60 Y132 T133 Q134 A138 P172 Y173L46-A136 HydrophobicContact CD1-CB 3.66Å; M60-A136 HydrophobicContact CE-CB 4.46Å; M60-A136 VanDerWaalsContact CE-O 3.23Å; M60-A136 WeakPolarHBondContact CE-O 3.36Å; Y132-A136 HydrophobicContact CD2-CB 4.5Å; Y132-A136 HydrophobicContact CE1-CB 4.4Å; Y132-A136 HydrophobicContact CE2-CB 4Å; Y132-A136 WeakPolarHBondContact O-CB 3.29Å; Y132-A136 PolarHBondContact O-N 3.41Å; T133-A136 PolarHBondContact O-N 2.99Å; Q134-A136 VanDerWaalsContact C-N 3.3Å; Q134-A136 PolarHBondContact O-N 3.49Å; A136-A138 PolarHBondContact O-N 2.86Å; A136-P172 HydrophobicContact CB-CB 4.09Å; A136-P172 HydrophobicContact CB-CG 4.47Å; A136-Y173 HydrophobicContact CB-CD1 4.12Å; A136-Y173 HydrophobicContact CB-CE1 4.17Å
137W98.8Very high98.4Very high5 Ų529.5 Ų29.52%0.01915%0.154CC..  trans-73104.6-174.9-153.6-97.6000111.6R43 T133 Q134 M135 K139 T140 G165 W167 E170 P172R43-W137 PolarHBondContact NH1-O 2.98Å; R43-W137 PolarHBondContact NH2-O 3Å; T133-W137 PolarHBondContact O-N 3.24Å; Q134-W137 WeakPolarHBondContact O-CB 3.12Å; Q134-W137 PolarHBondContact O-N 2.86Å; M135-W137 PolarHBondContact O-N 3.41Å; W137-K139 PolarHBondContact O-N 3.39Å; W137-T140 WeakPolarHBondContact O-CB 3.29Å; W137-T140 PolarHBondContact O-N 3.4Å; W137-G165 VanDerWaalsContact CE2-CA 3.41Å; W137-W167 HydrophobicContact CH2-CB 4.12Å; W137-W167 VanDerWaalsContact CH2-N 3.34Å; W137-W167 HydrophobicContact CZ2-CB 3.95Å; W137-W167 AromaticContact CZ2-CD1 3.66Å; W137-W167 HydrophobicContact CZ2-CG 4.21Å; W137-E170 HydrophobicContact CH2-CB 3.77Å; W137-E170 HydrophobicContact CZ2-CB 4.05Å; W137-P172 CarbonylContact C-O 3.47Å; W137-P172 WeakPolarHBondContact CA-O 3.33Å; W137-P172 HydrophobicContact CE3-CB 3.77Å; W137-P172 HydrophobicContact CZ3-CB 4.17Å
138A98.7Very high98.5Very high15 Ų1525.9 Ų25.912%0.12413%0.132CC..THydrogen-bonded Turntrans-60.5-33.9-171.800000113R43 M60 S61 A136 T140 P172R43-A138 PolarHBondContact NH2-O 3.14Å; M60-A138 HydrophobicContact SD-CB 4.06Å; S61-A138 WeakPolarHBondContact CB-O 3.37Å; A136-A138 PolarHBondContact O-N 2.86Å; A138-T140 VanDerWaalsContact C-N 3.29Å; A138-T140 PolarHBondContact O-N 3.25Å; A138-P172 PolarHBondContact N-O 2.99Å
139K98.3Very high98.6Very high128 Ų12824.5 Ų24.556%0.55713%0.129SC*.THydrogen-bonded Turntrans-72.4-17.2179-62.7175.9-177.5168.80113.4W137 T141 P163 E170W137-K139 PolarHBondContact O-N 3.39Å; K139-T141 PolarHBondContact O-N 2.86Å; K139-P163 WeakPolarHBondContact O-CD 3.28Å; K139-P163 VanDerWaalsContact O-CG 3.26Å; K139-P163 WeakPolarHBondContact O-CG 3.3Å; K139-E170 IonicContact NZ-OE2 2.96Å; K139-E170 PolarHBondContact NZ-OE2 2.95Å
140T98.8Very high98.4Very high1 Ų124.6 Ų24.61%0.00613%0.129CC..  trans-68.9125.4174.9-62.60000109.7R43 L63 W137 A138 D142 Y161 P163R43-T140 PolarHBondContact NH2-O 3.31Å; R43-T140 VanDerWaalsContact NH2-O 3.14Å; L63-T140 HydrophobicContact CD2-CG2 3.89Å; L63-T140 WeakPolarHBondContact CD2-O 3.26Å; W137-T140 WeakPolarHBondContact O-CB 3.29Å; W137-T140 PolarHBondContact O-N 3.4Å; A138-T140 VanDerWaalsContact C-N 3.29Å; A138-T140 PolarHBondContact O-N 3.25Å; T140-D142 WeakPolarHBondContact CG2-O 3.49Å; T140-Y161 HydrophobicContact CG2-CD1 4.19Å; T140-P163 PolarHBondContact OG1-O 2.82Å
141T98.6Very high98Very high47 Ų4725.5 Ų25.529%0.28814%0.142SC..  trans-109.4-27.9-179.151.90000112L63 K64 K139 G162L63-T141 CarbonylContact C-O 3.56Å; L63-T141 WeakPolarHBondContact CA-O 3.22Å; K64-T141 PolarHBondContact N-O 3.27Å; K139-T141 PolarHBondContact O-N 2.86Å; T141-G162 PolarHBondContact N-O 2.83Å; T141-G162 PolarHBondContact OG1-O 3.34Å
142D98.7Very high97.5Very high3 Ų333.2 Ų33.22%0.01617%0.169CC..EExtended strand (participates in β ladder)trans-121.3139.1-170.2-70.6-118.2000110.6K64 N66 L69 F92 T140 G162K64-D142 WeakPolarHBondContact CE-OD1 3.45Å; K64-D142 WeakPolarHBondContact CE-OD2 3.26Å; K64-D142 IonicContact NZ-OD1 3.48Å; K64-D142 IonicContact NZ-OD2 3.6Å; K64-D142 WeakPolarHBondContact O-CA 3.36Å; N66-D142 HydrophobicContact CB-CB 4.01Å; N66-D142 PolarHBondContact ND2-OD1 2.91Å; L69-D142 HydrophobicContact CD1-CB 4.12Å; F92-D142 HydrophobicContact CE2-CB 3.82Å; F92-D142 HydrophobicContact CZ-CB 3.67Å; F92-D142 VanDerWaalsContact CZ-OD2 3.3Å; F92-D142 WeakPolarHBondContact CZ-OD2 3.5Å; T140-D142 WeakPolarHBondContact CG2-O 3.49Å; D142-G162 WeakPolarHBondContact CB-O 3.36Å; D142-G162 PolarHBondContact N-O 2.77Å; D142-G162 PolarHBondContact O-N 2.72Å
143I98.8Very high96.9Very high0 Ų039 Ų390%019%0.191CC..EExtended strand (participates in β ladder)trans-134.5141171.6-169.7174.3000109.5L36 H39 L63 K64 W65 N66 C159 N160 Y161L36-I143 HydrophobicContact CD1-CG2 3.48Å; L36-I143 VanDerWaalsContact CD1-CG2 3.48Å; H39-I143 HydrophobicContact CB-CD1 4.2Å; L63-I143 HydrophobicContact CB-CG2 4.04Å; L63-I143 HydrophobicContact CD1-CB 4.37Å; L63-I143 HydrophobicContact CD1-CD1 4.38Å; L63-I143 HydrophobicContact CD1-CG2 4.16Å; K64-I143 PolarHBondContact O-N 2.76Å; W65-I143 CarbonylContact C-O 3.59Å; W65-I143 VanDerWaalsContact CA-O 3.31Å; W65-I143 WeakPolarHBondContact CA-O 3.28Å; W65-I143 HydrophobicContact CE3-CG2 4.37Å; N66-I143 PolarHBondContact N-O 3.06Å; I143-C159 HydrophobicContact CD1-CB 4.3Å; I143-C159 HydrophobicContact CG1-CB 4.46Å; I143-N160 WeakPolarHBondContact CA-O 3.5Å; I143-Y161 HydrophobicContact CD1-CD1 4.14Å; I143-Y161 HydrophobicContact CD1-CE1 3.62Å; I143-Y161 HydrophobicContact CG1-CD1 4.15Å; I143-Y161 HydrophobicContact CG1-CE1 4.08Å
144G98.7Very high96.7Very high0 Ų040 Ų400%020%0.203CC..EExtended strand (participates in β ladder)trans-140.6128.8166.500000109N160G144-N160 PolarHBondContact N-O 3.44Å; G144-N160 PolarHBondContact O-N 2.82Å
145C98.9Very high96.7Very high4 Ų441 Ų413%0.02721%0.208CC..EExtended strand (participates in β ladder)trans-120.4161-177.1-530000111.5L35 W65 A70 V158 C159L35-C145 HydrophobicContact CB-CB 4.27Å; L35-C145 HydrophobicContact CD1-CB 3.5Å; L35-C145 HydrophobicContact CG-CB 4.29Å; W65-C145 HydrophobicContact CH2-CB 3.75Å; W65-C145 HydrophobicContact CZ3-CB 4.15Å; A70-C145 WeakPolarHBondContact CB-O 3.34Å; C145-V158 CarbonylContact C-O 3.56Å; C145-V158 WeakPolarHBondContact CA-O 3.48Å; C145-V158 VanDerWaalsContact CB-O 3.23Å; C145-V158 WeakPolarHBondContact CB-O 3.42Å; C145-C159 HydrophobicContact CB-CB 4.09Å; C145-C159 WeakPolarHBondContact CB-SG 3.34Å; C145-C159 WeakPolarHBondContact SG-CB 3.5Å; C145-C159 CovalentContact SG-SG 2.05Å; C145-C159 PolarHBondContact SG-SG 3.33Å
146G98.7Very high96.7Very high2 Ų240.8 Ų40.82%0.02121%0.207CC..EExtended strand (participates in β ladder)trans-136147.4171.200000110.4V158G146-V158 PolarHBondContact N-O 3.33Å; G146-V158 PolarHBondContact O-N 3.28Å
147V98.5Very high96.7Very high16 Ų1640.8 Ų40.810%0.09721%0.207CC..EExtended strand (participates in β ladder)trans-134.8130-179.2-178.10000109.4K31 L35 Q74 I105 L155 S156 I157K31-V147 HydrophobicContact CD-CB 4.45Å; K31-V147 HydrophobicContact CD-CG1 4.36Å; L35-V147 HydrophobicContact CD1-CG2 3.45Å; L35-V147 VanDerWaalsContact CD1-CG2 3.45Å; Q74-V147 PolarHBondContact NE2-O 3.45Å; Q74-V147 PolarHBondContact OE1-O 3.14Å; I105-V147 HydrophobicContact CD1-CG1 4.49Å; I105-V147 HydrophobicContact CD1-CG2 4.06Å; I105-V147 HydrophobicContact CG1-CG1 4.39Å; I105-V147 HydrophobicContact CG1-CG2 4.13Å; V147-L155 HydrophobicContact CG1-CB 4.15Å; V147-L155 HydrophobicContact CG1-CD1 4.02Å; V147-L155 HydrophobicContact CG1-CD2 4.18Å; V147-L155 HydrophobicContact CG1-CG 4.35Å; V147-S156 VanDerWaalsContact CA-O 3.29Å; V147-S156 WeakPolarHBondContact CA-O 3.23Å; V147-I157 HydrophobicContact CG2-CG2 4.4Å
148A98.3Very high96.7Very high11 Ų1140.6 Ų40.69%0.09121%0.206CC..EExtended strand (participates in β ladder)trans-128146.7174.800000110.3A77 C150 L155 S156A77-A148 HydrophobicContact CB-CB 4.12Å; A77-A148 WeakPolarHBondContact O-CB 3.46Å; A148-C150 PolarHBondContact O-N 3.2Å; A148-L155 CarbonylContact O-C 3.57Å; A148-L155 WeakPolarHBondContact O-CA 3.31Å; A148-S156 PolarHBondContact N-O 3Å; A148-S156 PolarHBondContact O-N 3.13Å
149N98Very high96.7Very high117 Ų11739.9 Ų39.963%0.62620%0.2SC*.EExtended strand (participates in β ladder)trans-72.4125.7168.6-175.168000109.1G154N149-G154 PolarHBondContact OD1-O 3.06Å
150C94.6Very high96.7Very high1 Ų133.8 Ų33.81%0.00717%0.174CC..EExtended strand (participates in β ladder)trans-116.2104.1177.8-66.90000108.5C80 L101 A148 R152 Y153 G154 S156C80-C150 VanDerWaalsContact CA-SG 3.52Å; C80-C150 HydrophobicContact CB-CB 3.81Å; C80-C150 WeakPolarHBondContact CB-SG 3.37Å; C80-C150 WeakPolarHBondContact SG-CA 3.26Å; C80-C150 WeakPolarHBondContact SG-CB 3.43Å; C80-C150 CovalentContact SG-SG 2.03Å; C80-C150 PolarHBondContact SG-SG 3.13Å; L101-C150 HydrophobicContact CD2-CB 4.35Å; A148-C150 PolarHBondContact O-N 3.2Å; C150-R152 PolarHBondContact O-N 2.64Å; C150-Y153 HydrophobicContact CB-CD2 4.44Å; C150-Y153 PolarHBondContact O-N 2.86Å; C150-G154 PolarHBondContact N-O 3.32Å; C150-G154 PolarHBondContact O-N 3Å; C150-S156 WeakPolarHBondContact SG-CB 2.83Å; C150-S156 PolarHBondContact SG-N 2.66Å
151P89.2Confident96.7Very high122 Ų12233.8 Ų33.879%0.79217%0.174SC*.THydrogen-bonded Turntrans-50.8-29.9-167.9-31.935.4000115.9
152R87.3Confident96.7Very high214 Ų21431.6 Ų31.681%0.80816%0.16SC*.THydrogen-bonded Turntrans-87.6-16.1-179-66.2-176.6179.6-173.8-0.5114.8C150C150-R152 PolarHBondContact O-N 2.64Å
153Y86.3Confident96.7Very high120 Ų12033.4 Ų33.447%0.47117%0.172SC..THydrogen-bonded Turntrans-136.3-2.6-163-51.9-68.9000115L101 H102 C150L101-Y153 HydrophobicContact CB-CG 4.37Å; L101-Y153 HydrophobicContact CD1-CD1 4.35Å; L101-Y153 HydrophobicContact CD1-CD2 3.75Å; L101-Y153 HydrophobicContact CD1-CE2 4.12Å; L101-Y153 HydrophobicContact CD1-CG 3.89Å; L101-Y153 HydrophobicContact CD2-CD2 4.21Å; L101-Y153 HydrophobicContact CD2-CG 4.42Å; L101-Y153 HydrophobicContact CG-CG 4.47Å; H102-Y153 CarbonylContact C-O 3.58Å; C150-Y153 HydrophobicContact CB-CD2 4.44Å; C150-Y153 PolarHBondContact O-N 2.86Å
154G95.9Very high96.7Very high27 Ų2733.4 Ų33.428%0.27817%0.172SC..EExtended strand (participates in β ladder)trans90.4-104.7-170.600000110.3N149 C150N149-G154 PolarHBondContact OD1-O 3.06Å; C150-G154 PolarHBondContact N-O 3.32Å; C150-G154 PolarHBondContact O-N 3Å
155L98.3Very high96.7Very high24 Ų2433.4 Ų33.413%0.12617%0.172CC..EExtended strand (participates in β ladder)trans-113.7139.4-178.1-55.9179.4000111.4L101 H102 I105 V147 A148 I157L101-L155 CarbonylContact C-O 3.5Å; L101-L155 VanDerWaalsContact CA-O 3.3Å; L101-L155 WeakPolarHBondContact CA-O 3.48Å; H102-L155 PolarHBondContact N-O 3.24Å; H102-L155 WeakPolarHBondContact O-CA 3.45Å; H102-L155 WeakPolarHBondContact O-CB 3.41Å; H102-L155 PolarHBondContact O-N 2.76Å; I105-L155 HydrophobicContact CG1-CD1 4.03Å; V147-L155 HydrophobicContact CG1-CB 4.15Å; V147-L155 HydrophobicContact CG1-CD1 4.02Å; V147-L155 HydrophobicContact CG1-CD2 4.18Å; V147-L155 HydrophobicContact CG1-CG 4.35Å; A148-L155 CarbonylContact O-C 3.57Å; A148-L155 WeakPolarHBondContact O-CA 3.31Å; L155-I157 HydrophobicContact CB-CD1 4.43Å; L155-I157 HydrophobicContact CB-CG1 4.04Å
156S98.4Very high96.6Very high0 Ų035.7 Ų35.70%018%0.184CC..EExtended strand (participates in β ladder)trans-89.2124.61551780000108.9A77 A100 V147 A148 C150A77-S156 WeakPolarHBondContact CA-OG 3.48Å; A77-S156 WeakPolarHBondContact O-CB 3.18Å; A77-S156 PolarHBondContact O-OG 3.11Å; A100-S156 WeakPolarHBondContact O-CA 3.49Å; V147-S156 VanDerWaalsContact CA-O 3.29Å; V147-S156 WeakPolarHBondContact CA-O 3.23Å; A148-S156 PolarHBondContact N-O 3Å; A148-S156 PolarHBondContact O-N 3.13Å; C150-S156 WeakPolarHBondContact SG-CB 2.83Å; C150-S156 PolarHBondContact SG-N 2.66Å
157I98.8Very high96.5Very high0 Ų041.5 Ų41.50%021%0.206CC..EExtended strand (participates in β ladder)trans-119.6122.8-178-53.8159.5000106.8L35 I99 A100 H102 W112 V147 L155L35-I157 HydrophobicContact CD2-CG2 3.73Å; I99-I157 WeakPolarHBondContact CA-O 3.47Å; A100-I157 PolarHBondContact N-O 2.02Å; A100-I157 PolarHBondContact O-N 3.25Å; H102-I157 HydrophobicContact CB-CD1 4.28Å; W112-I157 HydrophobicContact CH2-CB 4.32Å; W112-I157 HydrophobicContact CH2-CG2 3.74Å; W112-I157 HydrophobicContact CZ3-CG2 4.28Å; V147-I157 HydrophobicContact CG2-CG2 4.4Å; L155-I157 HydrophobicContact CB-CD1 4.43Å; L155-I157 HydrophobicContact CB-CG1 4.04Å
158V98.9Very high96.2Very high0 Ų047.7 Ų47.70%024%0.238CC..EExtended strand (participates in β ladder)trans-127.2132.4176.9-178.30000108.3A73 L76 A77 Q97 N98 I99 C145 G146A73-V158 HydrophobicContact CB-CB 4.11Å; A73-V158 HydrophobicContact CB-CG1 3.82Å; A73-V158 WeakPolarHBondContact O-CB 3.47Å; L76-V158 HydrophobicContact CB-CG1 4.3Å; L76-V158 HydrophobicContact CB-CG2 4.16Å; L76-V158 HydrophobicContact CD2-CG1 3.96Å; L76-V158 HydrophobicContact CD2-CG2 4.16Å; L76-V158 HydrophobicContact CG-CG1 4.45Å; L76-V158 HydrophobicContact CG-CG2 4Å; A77-V158 HydrophobicContact CB-CB 4.34Å; A77-V158 HydrophobicContact CB-CG2 3.89Å; Q97-V158 HydrophobicContact CG-CG1 4.05Å; N98-V158 WeakPolarHBondContact O-CA 3.12Å; I99-V158 HydrophobicContact CG2-CG2 4.19Å; C145-V158 CarbonylContact C-O 3.56Å; C145-V158 WeakPolarHBondContact CA-O 3.48Å; C145-V158 VanDerWaalsContact CB-O 3.23Å; C145-V158 WeakPolarHBondContact CB-O 3.42Å; G146-V158 PolarHBondContact N-O 3.33Å; G146-V158 PolarHBondContact O-N 3.28Å
159C98.9Very high96Very high0 Ų054.6 Ų54.60%027%0.274CS..EExtended strand (participates in β ladder)trans-127.1132.7171.2-730000109.8Q97 N98 W112 I143 C145 Y161Q97-C159 CarbonylContact C-O 3.59Å; Q97-C159 VanDerWaalsContact CA-O 3.27Å; Q97-C159 WeakPolarHBondContact CA-O 3.4Å; N98-C159 PolarHBondContact N-O 3.08Å; N98-C159 PolarHBondContact O-N 3.22Å; W112-C159 HydrophobicContact CH2-CB 4.4Å; W112-C159 HydrophobicContact CZ3-CB 4.32Å; I143-C159 HydrophobicContact CD1-CB 4.3Å; I143-C159 HydrophobicContact CG1-CB 4.46Å; C145-C159 HydrophobicContact CB-CB 4.09Å; C145-C159 WeakPolarHBondContact CB-SG 3.34Å; C145-C159 WeakPolarHBondContact SG-CB 3.5Å; C145-C159 CovalentContact SG-SG 2.05Å; C145-C159 PolarHBondContact SG-SG 3.33Å; C159-Y161 HydrophobicContact CB-CE1 4.44Å; C159-Y161 HydrophobicContact CB-CE2 3.87Å; C159-Y161 WeakPolarHBondContact CB-OH 3.41Å; C159-Y161 VanDerWaalsContact O-CE2 3.26Å; C159-Y161 WeakPolarHBondContact O-CE2 3.4Å
160N98.9Very high96Very high0 Ų052.6 Ų52.60%026%0.261CS..EExtended strand (participates in β ladder)trans-106.7140.7173.5-72-27.8000109.7L69 A73 R87 V95 G96 Q97 I143 G144L69-N160 HydrophobicContact CB-CB 4.02Å; L69-N160 HydrophobicContact CD2-CB 4.29Å; L69-N160 PolarHBondContact O-ND2 3.38Å; L69-N160 VanDerWaalsContact O-ND2 3.08Å; A73-N160 PolarHBondContact N-ND2 3.46Å; R87-N160 VanDerWaalsContact CD-OD1 3.22Å; R87-N160 WeakPolarHBondContact CD-OD1 3.37Å; V95-N160 HydrophobicContact CG1-CB 3.85Å; G96-N160 CarbonylContact O-C 3.59Å; G96-N160 VanDerWaalsContact O-CA 3.27Å; G96-N160 WeakPolarHBondContact O-CA 3.23Å; Q97-N160 WeakPolarHBondContact CG-OD1 3.38Å; Q97-N160 PolarHBondContact NE2-OD1 3.12Å; I143-N160 WeakPolarHBondContact CA-O 3.5Å; G144-N160 PolarHBondContact N-O 3.44Å; G144-N160 PolarHBondContact O-N 2.82Å
161Y98.8Very high96.2Very high2 Ų256.5 Ų56.51%0.00828%0.277CS..EExtended strand (participates in β ladder)trans-124.1129.4-170.9-56.6-91.1000111.2H39 V95 G96 N98 Q134 T140 I143 C159 P163 G164H39-Y161 AromaticContact CD2-CE1 3.72Å; H39-Y161 AromaticContact NE2-CE1 3.63Å; H39-Y161 AromaticContact NE2-CZ 3.63Å; H39-Y161 PolarHBondContact NE2-OH 2.89Å; V95-Y161 CarbonylContact C-O 3.59Å; V95-Y161 VanDerWaalsContact CA-O 3.31Å; V95-Y161 WeakPolarHBondContact CA-O 2.93Å; G96-Y161 PolarHBondContact N-O 3.38Å; G96-Y161 PolarHBondContact O-N 2.96Å; N98-Y161 HydrophobicContact CB-CE2 3.89Å; N98-Y161 PolarHBondContact ND2-OH 3.36Å; N98-Y161 VanDerWaalsContact ND2-OH 3.17Å; Q134-Y161 HydrophobicContact CG-CD1 4.36Å; Q134-Y161 HydrophobicContact CG-CD2 3.35Å; Q134-Y161 HydrophobicContact CG-CE2 3.57Å; Q134-Y161 HydrophobicContact CG-CG 3.79Å; T140-Y161 HydrophobicContact CG2-CD1 4.19Å; I143-Y161 HydrophobicContact CD1-CD1 4.14Å; I143-Y161 HydrophobicContact CD1-CE1 3.62Å; I143-Y161 HydrophobicContact CG1-CD1 4.15Å; I143-Y161 HydrophobicContact CG1-CE1 4.08Å; C159-Y161 HydrophobicContact CB-CE1 4.44Å; C159-Y161 HydrophobicContact CB-CE2 3.87Å; C159-Y161 WeakPolarHBondContact CB-OH 3.41Å; C159-Y161 VanDerWaalsContact O-CE2 3.26Å; C159-Y161 WeakPolarHBondContact O-CE2 3.4Å; Y161-P163 CarbonylContact O-C 3.46Å; Y161-G164 WeakPolarHBondContact O-CA 3.38Å; Y161-G164 PolarHBondContact O-N 3.21Å
162G98.6Very high96.6Very high0 Ų050.9 Ų50.90%024%0.241CC..EExtended strand (participates in β ladder)trans-127.5126.9-177.900000113T141 D142T141-G162 PolarHBondContact N-O 2.83Å; T141-G162 PolarHBondContact OG1-O 3.34Å; D142-G162 WeakPolarHBondContact CB-O 3.36Å; D142-G162 PolarHBondContact N-O 2.77Å; D142-G162 PolarHBondContact O-N 2.72Å
163P98.4Very high97.2Very high41 Ų4141.1 Ų41.127%0.26620%0.204SC..SBendcis-57.4150.4-21.528.5-36.2000111.3F92 K139 T140 Y161F92-P163 HydrophobicContact CD1-CB 4.3Å; K139-P163 WeakPolarHBondContact O-CD 3.28Å; K139-P163 VanDerWaalsContact O-CG 3.26Å; K139-P163 WeakPolarHBondContact O-CG 3.3Å; T140-P163 PolarHBondContact OG1-O 2.82Å; Y161-P163 CarbonylContact O-C 3.46Å
164G98.3Very high97.7Very high0 Ų041.2 Ų41.20%021%0.209CC..  trans-65152.3175.300000112.5W94 Y161 W167W94-G164 PolarHBondContact O-N 3.16Å; Y161-G164 WeakPolarHBondContact O-CA 3.38Å; Y161-G164 PolarHBondContact O-N 3.21Å; G164-W167 PolarHBondContact O-NE1 3.42Å
165G98.1Very high97.9Very high0 Ų042.8 Ų42.80%021%0.213CC..  trans-96.9-157.2176.700000112.7W94 Q134 W137 W167W94-G165 PolarHBondContact NE1-O 3.34Å; Q134-G165 VanDerWaalsContact NE2-N 3.14Å; W137-G165 VanDerWaalsContact CE2-CA 3.41Å; G165-W167 VanDerWaalsContact C-N 3.31Å; G165-W167 PolarHBondContact O-N 3.12Å
166N98Very high97.9Very high52 Ų5242.8 Ų42.828%0.27821%0.212SC..  trans58.839.1176.7-59.6-20.8000113.4L130 T133 Q134L130-N166 PolarHBondContact O-ND2 2.86Å; T133-N166 WeakPolarHBondContact CB-OD1 3.41Å; T133-N166 PolarHBondContact OG1-OD1 2.88Å; Q134-N166 PolarHBondContact N-OD1 3.43Å
167W96.7Very high97.8Very high124 Ų12446.5 Ų46.547%0.4724%0.236SC..  trans-67.4139.3169-72.489.1000110.7W94 W137 G164 G165 N169 E170W94-W167 HydrophobicContact CB-CZ2 3.98Å; W94-W167 AromaticContact CD1-NE1 3.83Å; W94-W167 HydrophobicContact CG-CZ2 4.26Å; W137-W167 HydrophobicContact CH2-CB 4.12Å; W137-W167 VanDerWaalsContact CH2-N 3.34Å; W137-W167 HydrophobicContact CZ2-CB 3.95Å; W137-W167 AromaticContact CZ2-CD1 3.66Å; W137-W167 HydrophobicContact CZ2-CG 4.21Å; G164-W167 PolarHBondContact O-NE1 3.42Å; G165-W167 VanDerWaalsContact C-N 3.31Å; G165-W167 PolarHBondContact O-N 3.12Å; W167-N169 PolarHBondContact O-N 3.38Å; W167-E170 HydrophobicContact CB-CB 4.04Å; W167-E170 HydrophobicContact CB-CG 4.1Å; W167-E170 PolarHBondContact O-N 3.45Å
168N92.6Very high97.7Very high146 Ų14653.5 Ų53.578%0.78126%0.262SS*.THydrogen-bonded Turntrans-54.8132.4-179.6-72.3-15.2000111E170N168-E170 PolarHBondContact O-N 2.8Å
169N93.4Very high97.5Very high157 Ų15759.7 Ų59.784%0.8430%0.295SS*.THydrogen-bonded Turntrans60.26.9177.7-55.1-41.4000115.7W167W167-N169 PolarHBondContact O-N 3.38Å
170E97.6Very high97.4Very high75 Ų7564.6 Ų64.635%0.3532%0.321SS..  trans-92.7146.5171.3-73.2-169-131.500110.7N124 W137 K139 W167 N168N124-E170 PolarHBondContact ND2-O 2.67Å; W137-E170 HydrophobicContact CH2-CB 3.77Å; W137-E170 HydrophobicContact CZ2-CB 4.05Å; K139-E170 IonicContact NZ-OE2 2.96Å; K139-E170 PolarHBondContact NZ-OE2 2.95Å; W167-E170 HydrophobicContact CB-CB 4.04Å; W167-E170 HydrophobicContact CB-CG 4.1Å; W167-E170 PolarHBondContact O-N 3.45Å; N168-E170 PolarHBondContact O-N 2.8Å
171K98.5Very high97.2Very high82 Ų8266 Ų6636%0.35733%0.33SS..  trans-90.5151.2171.3-66.6-171.3177.470.80109.4Y121 N124 Y173Y121-K171 HydrophobicContact CD1-CD 4.04Å; Y121-K171 HydrophobicContact CE1-CD 3.49Å; Y121-K171 VanDerWaalsContact CE1-CD 3.49Å; Y121-K171 HydrophobicContact CE2-CB 4.2Å; Y121-K171 HydrophobicContact CE2-CD 4.06Å; Y121-K171 VanDerWaalsContact CZ-CD 3.47Å; Y121-K171 WeakPolarHBondContact O-CD 3.26Å; Y121-K171 WeakPolarHBondContact O-CE 3.24Å; N124-K171 HydrophobicContact CB-CG 4.3Å; K171-Y173 VanDerWaalsContact C-N 3.28Å; K171-Y173 PolarHBondContact O-N 2.78Å
172P98.5Very high97Very high4 Ų469.5 Ų69.53%0.02635%0.354CS..SBendtrans-66.6-25.3-173.425.3-34.1000114Y119 T133 A136 W137 A138Y119-P172 HydrophobicContact CE1-CG 4.1Å; Y119-P172 WeakPolarHBondContact OH-CD 3.03Å; T133-P172 HydrophobicContact CG2-CG 4.45Å; A136-P172 HydrophobicContact CB-CB 4.09Å; A136-P172 HydrophobicContact CB-CG 4.47Å; W137-P172 CarbonylContact C-O 3.47Å; W137-P172 WeakPolarHBondContact CA-O 3.33Å; W137-P172 HydrophobicContact CE3-CB 3.77Å; W137-P172 HydrophobicContact CZ3-CB 4.17Å; A138-P172 PolarHBondContact N-O 2.99Å
173Y98.8Very high96.6Very high9 Ų978.5 Ų78.54%0.03539%0.393CS..SBendtrans-155.6166.2-178.354.4-97.1000111.4L46 P55 A57 M60 Y121 A136 K171 V175L46-Y173 HydrophobicContact CD1-CE1 4.17Å; L46-Y173 HydrophobicContact CD2-CE1 4.27Å; P55-Y173 HydrophobicContact CG-CE2 4.45Å; P55-Y173 WeakPolarHBondContact O-CE2 3.46Å; P55-Y173 PolarHBondContact O-OH 2.75Å; A57-Y173 HydrophobicContact CB-CD2 3.66Å; A57-Y173 HydrophobicContact CB-CE2 4.03Å; A57-Y173 HydrophobicContact CB-CG 3.95Å; M60-Y173 HydrophobicContact CE-CD1 3.54Å; M60-Y173 HydrophobicContact CE-CE1 4.3Å; M60-Y173 HydrophobicContact CE-CG 3.75Å; Y121-Y173 HydrophobicContact CD2-CE1 4.38Å; Y121-Y173 AromaticContact CD2-CE2 3.98Å; Y121-Y173 HydrophobicContact CD2-CE2 3.98Å; Y121-Y173 AromaticContact CD2-CZ 3.83Å; Y121-Y173 AromaticContact CE2-CD2 3.87Å; Y121-Y173 HydrophobicContact CE2-CD2 3.87Å; Y121-Y173 HydrophobicContact CE2-CE1 4.33Å; Y121-Y173 AromaticContact CE2-CE2 3.58Å; Y121-Y173 HydrophobicContact CE2-CE2 3.58Å; Y121-Y173 HydrophobicContact CE2-CG 4.4Å; Y121-Y173 AromaticContact CE2-CZ 3.84Å; Y121-Y173 PolarHBondContact OH-O 2.84Å; A136-Y173 HydrophobicContact CB-CD1 4.12Å; A136-Y173 HydrophobicContact CB-CE1 4.17Å; K171-Y173 VanDerWaalsContact C-N 3.28Å; K171-Y173 PolarHBondContact O-N 2.78Å; Y173-V175 HydrophobicContact CD2-CG2 4.44Å; Y173-V175 HydrophobicContact CE2-CG2 4.1Å
174E98.5Very high95.6Very high123 Ų12382.9 Ų82.958%0.57542%0.419SS*.  trans-85.1147.4168.3-69.6-178.5-171.600111.1A57 K58A57-E174 CarbonylContact C-O 3.51Å; A57-E174 WeakPolarHBondContact CA-O 3.42Å; K58-E174 HydrophobicContact CB-CB 4.15Å; K58-E174 WeakPolarHBondContact CB-O 3.46Å; K58-E174 HydrophobicContact CD-CB 4.19Å; K58-E174 WeakPolarHBondContact CD-OE2 3.49Å; K58-E174 PolarHBondContact N-O 2.98Å; K58-E174 IonicContact NZ-OE2 2.8Å; K58-E174 PolarHBondContact NZ-OE2 2.76Å
175V98.6Very high94.5Very high59 Ų5990.6 Ų90.636%0.35846%0.455SS..BIsolated β-bridgetrans-93.8142.6-178.61700000111.7P55 P56 Y121 Y173P55-V175 HydrophobicContact CB-CB 4.41Å; P55-V175 HydrophobicContact CB-CG1 3.8Å; P55-V175 HydrophobicContact CB-CG2 3.62Å; P55-V175 HydrophobicContact CG-CG2 3.53Å; P56-V175 WeakPolarHBondContact O-CA 3.23Å; Y121-V175 HydrophobicContact CD1-CG2 4.19Å; Y121-V175 HydrophobicContact CE1-CG2 3.45Å; Y121-V175 VanDerWaalsContact CE1-CG2 3.45Å; Y121-V175 HydrophobicContact CE2-CG2 3.9Å; Y121-V175 WeakPolarHBondContact OH-CG2 3.35Å; Y173-V175 HydrophobicContact CD2-CG2 4.44Å; Y173-V175 HydrophobicContact CE2-CG2 4.1Å
176K98Very high92.6Very high25 Ų2598 Ų9811%0.10949%0.494CS..  trans-106.5158.7164.464.6177.2-179.41750112V47 P56 A57 K58 L180V47-K176 WeakPolarHBondContact O-CE 3.39Å; V47-K176 PolarHBondContact O-NZ 2.98Å; P56-K176 HydrophobicContact CB-CG 4.16Å; P56-K176 HydrophobicContact CG-CG 3.98Å; P56-K176 VanDerWaalsContact CG-O 3.28Å; P56-K176 WeakPolarHBondContact CG-O 3.5Å; P56-K176 PolarHBondContact O-N 2.81Å; A57-K176 WeakPolarHBondContact O-CD 2.92Å; A57-K176 WeakPolarHBondContact O-CE 3.41Å; K58-K176 HydrophobicContact CB-CB 4.07Å; K58-K176 HydrophobicContact CG-CB 4.46Å; K176-L180 HydrophobicContact CD-CB 4.1Å; K176-L180 PolarHBondContact NZ-O 2.97Å
177P97.6Very high90.7Very high77 Ų77101.3 Ų101.350%0.551%0.51SS..  trans-59.4142.5167.2-28.938.8000113.2N179 L180P177-N179 WeakPolarHBondContact CB-OD1 3Å; P177-N179 PolarHBondContact O-N 3.32Å; P177-L180 WeakPolarHBondContact O-CB 3.46Å; P177-L180 PolarHBondContact O-N 1.98Å; P177-L180 VanDerWaalsContact O-N 3.09Å
178R95.6Very high88.5Confident147 Ų147100.1 Ų100.156%0.55552%0.519SS*.G310 helixtrans-66.7-19.2-180-69.1-174-166.8-82.1-3.1114.1Q54 P56 L180 C181Q54-R178 PolarHBondContact O-NH1 2.81Å; Q54-R178 PolarHBondContact O-NH2 2.84Å; P56-R178 HydrophobicContact CG-CG 4.03Å; R178-L180 PolarHBondContact O-N 3.46Å; R178-C181 WeakPolarHBondContact O-CB 2.96Å; R178-C181 PolarHBondContact O-N 2.92Å; R178-C181 PolarHBondContact O-SG 3.09Å
179N95.5Very high86.7Confident130 Ų130103 Ų10370%0.69552%0.524SS*.G310 helixtrans-69.8-10.5172.964.8-42.6000113P177P177-N179 WeakPolarHBondContact CB-OD1 3Å; P177-N179 PolarHBondContact O-N 3.32Å
180L96.1Very high84.6Confident104 Ų104102.3 Ų102.355%0.54552%0.521SS..G310 helixtrans-95.715.5174-56.1-177.5000113.2K176 P177 R178K176-L180 HydrophobicContact CD-CB 4.1Å; K176-L180 PolarHBondContact NZ-O 2.97Å; P177-L180 WeakPolarHBondContact O-CB 3.46Å; P177-L180 PolarHBondContact O-N 1.98Å; P177-L180 VanDerWaalsContact O-N 3.09Å; R178-L180 PolarHBondContact O-N 3.46Å
181C96.1Very high82.3Confident28 Ų28102.8 Ų102.819%0.18953%0.532CS..SBendtrans-74.4144.5171.5-57.10000110.4C49 R178 K183C49-C181 HydrophobicContact CB-CB 3.77Å; C49-C181 WeakPolarHBondContact CB-SG 3.43Å; C49-C181 WeakPolarHBondContact SG-CB 3.34Å; C49-C181 CovalentContact SG-SG 1.98Å; C49-C181 PolarHBondContact SG-SG 3.26Å; R178-C181 WeakPolarHBondContact O-CB 2.96Å; R178-C181 PolarHBondContact O-N 2.92Å; R178-C181 PolarHBondContact O-SG 3.09Å; C181-K183 PolarHBondContact O-N 3.24Å
182P93.3Very high79.8Confident77 Ų77106.6 Ų106.650%0.556%0.556SS.*PPolyproline II helixtrans-55.6128.6172.1-22.733.6000110.6D48D48-P182 HydrophobicContact CB-CG 4.47Å
183K89.7Confident76.9Confident189 Ų189114 Ų11482%0.82259%0.59SS**PPolyproline II helixtrans-75.7138.9173.7-64-178.2179.8178.90108.6C181 Q185C181-K183 PolarHBondContact O-N 3.24Å; K183-Q185 PolarHBondContact O-N 3.41Å
184V78.6Confident73.9Confident133 Ų133119.7 Ų119.781%0.80663%0.626SS**  trans-59.5111.6169.9-179.20000107.2N186V184-N186 PolarHBondContact O-N 3.27Å
185Q74Confident70.6Confident162 Ų162121.1 Ų121.176%0.75764%0.638SS**  trans-69.8117169-68.9-176.8-1400106.6K183 I187K183-Q185 PolarHBondContact O-N 3.41Å; Q185-I187 HydrophobicContact CB-CG1 4.5Å; Q185-I187 PolarHBondContact O-N 3.38Å
186N59Low67.7Low154 Ų154124.3 Ų124.382%0.82466%0.663SS**  trans-64.589.3166.3-72.5-38.1000107.3V184 P188V184-N186 PolarHBondContact O-N 3.27Å; N186-P188 VanDerWaalsContact O-CD 3.26Å; N186-P188 WeakPolarHBondContact O-CD 3.26Å
187I57.7Low64.7Low122 Ų122129 Ų12963%0.62669%0.693SS**  trans-73.3117.1168.7-60.2-179.4000106.3Q185 K189Q185-I187 HydrophobicContact CB-CG1 4.5Å; Q185-I187 PolarHBondContact O-N 3.38Å; I187-K189 PolarHBondContact O-N 3.45Å
188P50.7Low61.5Low100 Ų100133.3 Ų133.365%0.64971%0.706SS**  trans-60.5132.4178.2-20.232.9000109.8N186 N190 S191N186-P188 VanDerWaalsContact O-CD 3.26Å; N186-P188 WeakPolarHBondContact O-CD 3.26Å; P188-N190 PolarHBondContact O-N 3Å; P188-S191 PolarHBondContact O-N 3.45Å
189K54.2Low58.3Low206 Ų206132.9 Ų132.990%0.89672%0.72SS**G310 helixtrans-55.9-8.6-176.9-69.5-177.6178.5178.40115.1I187I187-K189 PolarHBondContact O-N 3.45Å
190N49.9Very low55.1Low142 Ų142133.9 Ų133.976%0.75972%0.721SS**G310 helixtrans-922.1-176.1-10624.3000116P188P188-N190 PolarHBondContact O-N 3Å
191S49.4Very low52.1Low86 Ų86137.5 Ų137.560%0.60173%0.734SS**G310 helixtrans-90.34.2178.590.30000115.1P188P188-S191 PolarHBondContact O-N 3.45Å
192L45.4Very low48.7Very low162 Ų162139.8 Ų139.885%0.84876%0.762SS**  trans-10655.4175.5-70.1164.6000110.4
193Q38.6Very low45.7Very low158 Ų158142.4 Ų142.474%0.73878%0.78SS**  trans-135.787.3166.8-76.4-172.6-2.100108.9
194T34.8Very low42.7Very low130 Ų130142.9 Ų142.980%0.79878%0.781SS**  trans-138.497.3159.455.80000109.2
195N29.8Very low40.3Very low153 Ų153141.9 Ų141.982%0.81878%0.778SS**  trans4781.8138.9-55.2-19.1000117.4V197N195-V197 PolarHBondContact O-N 2.84Å
196S38.8Very low38Very low126 Ų126142.9 Ų142.988%0.88179%0.787SS**  trans-81.4108.1154.8-171.60000108.9
197V34.9Very low36.3Very low124 Ų124141.5 Ų141.575%0.75279%0.785SS**  trans-62.9137.9169.9169.20000110.2N195 T199N195-V197 PolarHBondContact O-N 2.84Å; V197-T199 PolarHBondContact O-N 3.28Å
198H30.2Very low34.9Very low166 Ų166144.5 Ų144.577%0.76980%0.796SS**  trans-47.2123.8172.5-101.3-63.8000113.5
199T28.2Very low33.8Very low139 Ų139144.8 Ų144.885%0.85380%0.8SS**  trans-140.9146.214332.10000108.8V197V197-T199 PolarHBondContact O-N 3.28Å
200Q28Very low32.4Very low151 Ų151144.5 Ų144.571%0.70680%0.802SS**  trans-95.3160.5-158.7-57.7-155.9-23.600113.5
201H32.1Very low31.4Very low180 Ų180146.8 Ų146.883%0.83381%0.808SS**  trans76.997.1155.6-65.9-28.2000120.6
202G26.2Very low30.3Very low75 Ų75152.1 Ų152.177%0.77382%0.821SS**  113.2156.1127.400000116.9
203P30.2Very low29.4Very low133 Ų133151 Ų15186%0.86482%0.821SS**  cis-113.2167-30.534.4-18.8000112.9
204K26.8Very low29Very low198 Ų198148.5 Ų148.586%0.86182%0.82SS**  trans-65.8133.3-170.2-166.7176-177.3-179.40113.9
205P27.3Very low28.5Very low112 Ų112147.7 Ų147.773%0.72782%0.815SS**  trans-72144.4174.2-17.831.5000113.5T207P205-T207 PolarHBondContact O-N 3.04Å
206L26.3Very low28.4Very low183 Ų183147.2 Ų147.296%0.95881%0.813SS**  trans-65.6115.1173.1-74.6157.4000110.7
207T22.9Very low28Very low126 Ų126146.8 Ų146.877%0.77380%0.804SS**  trans-91.2119167.948.50000110P205P205-T207 PolarHBondContact O-N 3.04Å
208Q29Very low27.8Very low184 Ų184149.4 Ų149.486%0.8681%0.809SS**  trans-151.597.2149.5-70.5-164.4-900105.7
209S27.8Very low27.9Very low106 Ų106149 Ų14974%0.74181%0.812SS**  98.210187.864.90000110E211S209-E211 PolarHBondContact O-N 3.49Å
210E23.6Very low28Very low201 Ų201146.1 Ų146.194%0.93981%0.81SS**  trans-25.5115.6159-61.9163.6164.800113.6
211E30.2Very low28.4Very low189 Ų189150.8 Ų150.888%0.88382%0.821SS**  trans-113.3126.4158.9-161.6168-164.700109.3S209 V213S209-E211 PolarHBondContact O-N 3.49Å; E211-V213 PolarHBondContact O-N 3.37Å
212K25.9Very low28.8Very low199 Ų199153 Ų15387%0.86582%0.822SS**  trans-60.2124.3-165.3-69.6165.3176173.20112.1S214K212-S214 PolarHBondContact O-N 3.25Å
213V26.7Very low29.4Very low139 Ų139158 Ų15884%0.84283%0.825SS**  trans-7197161.81770000107.9E211E211-V213 PolarHBondContact O-N 3.37Å
214S29Very low29.7Very low104 Ų104157.2 Ų157.273%0.72782%0.821SS**  trans-78.7119.4166.4-174.90000109.3K212K212-S214 PolarHBondContact O-N 3.25Å
215T24.1Very low30.5Very low114 Ų114154.7 Ų154.770%0.69982%0.817SS**  trans-70.8122.416549.10000110.2
216N28.1Very low31.4Very low142 Ų142157.4 Ų157.476%0.75982%0.82SS**  trans-165.9105.1144.1-93.7-26.8000108.6
217V29.7Very low31.9Very low117 Ų117159.4 Ų159.471%0.70982%0.815SS**  77.8105.4100.9174.40000113N219V217-N219 PolarHBondContact O-N 3.37Å
218Q31.1Very low32.8Very low180 Ų180161.9 Ų161.984%0.84182%0.818SS**  trans23.196.1139.6-59.6-170.4-25.900117
219N32.1Very low33.7Very low158 Ų158161.7 Ų161.785%0.84582%0.817SS**  trans-160.627.3144.7-111.7-11.7000116.5V217V217-N219 PolarHBondContact O-N 3.37Å
220G31.2Very low34.6Very low77 Ų77161.2 Ų161.279%0.79481%0.814SS**  trans-89.1-5.4178.400000116.1R222G220-R222 PolarHBondContact O-N 2.82Å
221R36Very low35.4Very low249 Ų249163.3 Ų163.394%0.9481%0.813SS**THydrogen-bonded Turntrans-91.117.6-168.5-147.3177.7-169.3166.33.6115.2
222R41.2Very low36.1Very low227 Ų227159.3 Ų159.386%0.85781%0.806SS**THydrogen-bonded Turntrans-1200.2179.7-76.3-167.4-174.6-169.53.5117.2G220G220-R222 PolarHBondContact O-N 2.82Å
223E38.4Very low36.5Very low181 Ų181160.8 Ų160.885%0.84681%0.806SS**SBendtrans-108-0.9-178.3-74.4-172.2157.300116.4
224C36.5Very low37.9Very low116 Ų116169.1 Ų169.178%0.78483%0.825SS**G310 helixtrans-80.6-12.4175.5-143.80000114.2
225N43.7Very low38.3Very low145 Ų145172.4 Ų172.478%0.77583%0.83SS**G310 helixtrans-97.714-174.5-80.23000115.4
226Q45.6Very low39Very low168 Ų168175.5 Ų175.579%0.78584%0.837SS**G310 helixtrans-117.65.1176.2-71.8-168.8-8.800115.3
227R37.7Very low39.7Very low225 Ų225177.3 Ų177.385%0.84984%0.841SS**SBendtrans-99-2175.9-85.2-174.1177-170.20.2116.1
228E41.2Very low40.2Very low178 Ų178180.9 Ų180.983%0.83285%0.849SS**SBendtrans-92.4-12.2176.4-74.2-173.5157.200114.6
229Q48.8Very low40.8Very low181 Ų181180.9 Ų180.985%0.84685%0.849SS**THydrogen-bonded Turntrans-95.42.6-177.3-81.6-180-16.300116.1
230S45.8Very low41.4Very low96 Ų96182.5 Ų182.567%0.67185%0.849SS**THydrogen-bonded Turntrans-107.810.2178.262.30000115.6
231R40.9Very low42.1Very low244 Ų244190 Ų19092%0.92185%0.853SS**SBendtrans-99.77.7173.8-93.8-176.2176.1174.4-0.9115.9
232S45Very low42.6Very low106 Ų106185.5 Ų185.574%0.74185%0.847SS**SBendtrans-107.980.9164.9-173.70000109.1
233R34.4Very low42.7Very low229 Ų229182 Ų18286%0.86485%0.846SS**  trans179.284.5159.8-103.6-175.6-82.8-165.2-0.8108.7
234Y54.5Low43.1Very low315 Ų315182.1 Ų182.1100%1.23585%0.846SS**  trans-166.40138.8-105-73.9000107.7

Retrieved 234 of 234 residues in 382.3 ms (Link to these results)

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