A0A077ZCZ1_TRITR Loading...

Serine/threonine-protein phosphatase

AlphaFold DB , UniProt , Accession A0A077ZCZ1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 299 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
1M44.1Very low87.5Confident245 Ų24588.3 Ų88.3100%1.20748%0.475SS*.  0112.10-138.2164.4101.600105.8
2G69.5Low88.4Confident76 Ų7690 Ų9078%0.78448%0.478SS*.PPolyproline II helixtrans-66.2145.1178.300000110E4G2-E4 PolarHBondContact O-N 2.6Å
3K76.2Confident89.2Confident120 Ų12087.2 Ų87.252%0.52246%0.459SS..PPolyproline II helixtrans-62.1123171.9179-177.1167.2-146.10108.2D21 D24K3-D21 IonicContact NZ-OD2 2.69Å; K3-D21 PolarHBondContact NZ-OD2 3.48Å; K3-D24 IonicContact NZ-OD1 2.74Å; K3-D24 IonicContact NZ-OD2 3.71Å; K3-D24 PolarHBondContact NZ-OD2 2.82Å
4E89.1Confident89.8Confident176 Ų17681.1 Ų81.182%0.82243%0.427SS*.PPolyproline II helixtrans-76.2138.8176.1-170.6172.6-168.300109.7G2 N6G2-E4 PolarHBondContact O-N 2.6Å; E4-N6 PolarHBondContact O-N 3.06Å
5F95.8Very high90.4Very high70 Ų7078.8 Ų78.831%0.30742%0.421SS..PPolyproline II helixtrans-64.4131.7177.6171.2-102.9000110.5L7 A27 V28 L31F5-L7 HydrophobicContact CE1-CB 4.09Å; F5-L7 HydrophobicContact CZ-CB 4.09Å; F5-L7 HydrophobicContact CZ-CD1 4.27Å; F5-A27 HydrophobicContact CD1-CB 4.4Å; F5-A27 HydrophobicContact CD2-CB 3.41Å; F5-A27 VanDerWaalsContact CD2-CB 3.41Å; F5-A27 HydrophobicContact CE1-CB 4.49Å; F5-A27 HydrophobicContact CE2-CB 3.52Å; F5-A27 HydrophobicContact CG-CB 3.88Å; F5-A27 HydrophobicContact CZ-CB 4.07Å; F5-V28 HydrophobicContact CE2-CG2 3.97Å; F5-V28 HydrophobicContact CZ-CG2 4.09Å; F5-L31 HydrophobicContact CE1-CD1 3.58Å; F5-L31 HydrophobicContact CZ-CD1 3.78Å
6N97.4Very high90.8Very high87 Ų8781.1 Ų81.147%0.46543%0.426SS..  trans-135.1110177.6-177.4-36.3000110E4 D8 S9 C10E4-N6 PolarHBondContact O-N 3.06Å; N6-D8 PolarHBondContact O-N 2.83Å; N6-D8 PolarHBondContact OD1-N 3.27Å; N6-S9 PolarHBondContact O-N 3.09Å; N6-S9 PolarHBondContact OD1-N 3.44Å; N6-C10 PolarHBondContact O-N 2.76Å; N6-C10 VanDerWaalsContact O-N 3.12Å; N6-C10 PolarHBondContact O-SG 3.19Å
7L98.1Very high91.2Very high33 Ų3377.2 Ų77.217%0.17341%0.41CS..Hα-helixtrans-64.5-37.5-178.1179.963000112.9F5 S9 C10 L11 V28 V102 R103F5-L7 HydrophobicContact CE1-CB 4.09Å; F5-L7 HydrophobicContact CZ-CB 4.09Å; F5-L7 HydrophobicContact CZ-CD1 4.27Å; L7-S9 VanDerWaalsContact C-N 3.32Å; L7-S9 PolarHBondContact O-N 2.93Å; L7-C10 WeakPolarHBondContact O-CB 3.32Å; L7-C10 PolarHBondContact O-N 2.8Å; L7-C10 VanDerWaalsContact O-N 3.13Å; L7-L11 HydrophobicContact CG-CD1 4.2Å; L7-L11 PolarHBondContact O-N 2.85Å; L7-V28 HydrophobicContact CD1-CG2 4.42Å; L7-V102 HydrophobicContact CD1-CG1 4.15Å; L7-V102 HydrophobicContact CD2-CG1 3.74Å; L7-R103 HydrophobicContact CD2-CB 4.3Å
8D98Very high91.5Very high100 Ų10077.6 Ų77.654%0.53541%0.409SS..Hα-helixtrans-65.4-38.3179.4-67.9-29.4000111.1N6 C10 L11 E12 R103N6-D8 PolarHBondContact O-N 2.83Å; N6-D8 PolarHBondContact OD1-N 3.27Å; D8-C10 VanDerWaalsContact C-N 3.35Å; D8-L11 PolarHBondContact O-N 2.63Å; D8-E12 PolarHBondContact O-N 3.44Å; D8-R103 IonicContact OD1-NE 3.7Å
9S97.9Very high91.8Very high43 Ų4377.2 Ų77.230%0.30141%0.407SS..Hα-helixtrans-64.6-39.1171.6-174.80000112.1N6 L7 E12 K13N6-S9 PolarHBondContact O-N 3.09Å; N6-S9 PolarHBondContact OD1-N 3.44Å; L7-S9 VanDerWaalsContact C-N 3.32Å; L7-S9 PolarHBondContact O-N 2.93Å; S9-E12 PolarHBondContact O-N 2.96Å; S9-K13 WeakPolarHBondContact O-CG 3.24Å; S9-K13 PolarHBondContact O-N 3.18Å; S9-K13 VanDerWaalsContact O-N 3.09Å
10C98.5Very high92.1Very high1 Ų173.4 Ų73.41%0.00739%0.387CS..Hα-helixtrans-64-43.7176.5-64.10000111.7N6 L7 D8 A14 L20 V28 T99N6-C10 PolarHBondContact O-N 2.76Å; N6-C10 VanDerWaalsContact O-N 3.12Å; N6-C10 PolarHBondContact O-SG 3.19Å; L7-C10 WeakPolarHBondContact O-CB 3.32Å; L7-C10 PolarHBondContact O-N 2.8Å; L7-C10 VanDerWaalsContact O-N 3.13Å; D8-C10 VanDerWaalsContact C-N 3.35Å; C10-A14 WeakPolarHBondContact O-CB 3.29Å; C10-A14 PolarHBondContact O-N 2.76Å; C10-L20 HydrophobicContact CB-CD1 3.76Å; C10-L20 HydrophobicContact CB-CD2 4.35Å; C10-V28 HydrophobicContact CB-CG2 4.3Å; C10-T99 HydrophobicContact CB-CG2 4.07Å
11L98.2Very high92.2Very high20 Ų2073.7 Ų73.711%0.10539%0.389CS..Hα-helixtrans-58.8-46.7175.1-81.1158.3000112.1L7 D8 A14 S15 T99 L100 R103L7-L11 HydrophobicContact CG-CD1 4.2Å; L7-L11 PolarHBondContact O-N 2.85Å; D8-L11 PolarHBondContact O-N 2.63Å; L11-A14 PolarHBondContact O-N 3.28Å; L11-S15 WeakPolarHBondContact O-CB 3.26Å; L11-S15 PolarHBondContact O-N 3.24Å; L11-T99 WeakPolarHBondContact CD2-O 3.16Å; L11-L100 HydrophobicContact CD2-CD2 4.03Å; L11-L100 HydrophobicContact CD2-CG 4.46Å; L11-R103 HydrophobicContact CD1-CB 3.74Å; L11-R103 HydrophobicContact CD1-CG 3.54Å; L11-R103 HydrophobicContact CD2-CB 4.19Å; L11-R103 HydrophobicContact CG-CB 4.48Å
12E98.2Very high94.6Very high109 Ų10964.7 Ų64.751%0.50934%0.343SS..Hα-helixtrans-61.8-49.6-179.6-173.5-174.8171.100111.1D8 S9 S15 K16D8-E12 PolarHBondContact O-N 3.44Å; S9-E12 PolarHBondContact O-N 2.96Å; E12-S15 PolarHBondContact O-N 3.47Å; E12-S15 PolarHBondContact O-OG 3.07Å; E12-K16 PolarHBondContact O-N 3.4Å; E12-K16 IonicContact OE1-NZ 2.72Å; E12-K16 PolarHBondContact OE1-NZ 3.34Å
13K98.3Very high95.8Very high53 Ų5364.8 Ų64.823%0.2333%0.332CS..Hα-helixtrans-61.3-45.4177-73.4-175.5175.1-171.20112S9 S15 K16 G17 E18 L20S9-K13 WeakPolarHBondContact O-CG 3.24Å; S9-K13 PolarHBondContact O-N 3.18Å; S9-K13 VanDerWaalsContact O-N 3.09Å; K13-S15 VanDerWaalsContact C-N 3.27Å; K13-S15 PolarHBondContact O-N 3.18Å; K13-K16 PolarHBondContact O-N 3.18Å; K13-G17 PolarHBondContact O-N 3Å; K13-E18 HydrophobicContact CB-CB 4.09Å; K13-E18 WeakPolarHBondContact O-CB 3.32Å; K13-E18 PolarHBondContact O-N 3.41Å; K13-E18 VanDerWaalsContact O-N 3.09Å; K13-L20 HydrophobicContact CB-CD2 3.53Å; K13-L20 HydrophobicContact CD-CD2 3.64Å; K13-L20 HydrophobicContact CG-CD2 4.24Å
14A98.4Very high96.9Very high2 Ų259.3 Ų59.32%0.01731%0.309CS..Hα-helixtrans-60.2-37.817800000111.8C10 L11 K16 G17 Y59 T95 T99C10-A14 WeakPolarHBondContact O-CB 3.29Å; C10-A14 PolarHBondContact O-N 2.76Å; L11-A14 PolarHBondContact O-N 3.28Å; A14-K16 PolarHBondContact O-N 2.97Å; A14-G17 PolarHBondContact O-N 3.36Å; A14-Y59 WeakPolarHBondContact O-CE2 3.39Å; A14-Y59 PolarHBondContact O-OH 3.48Å; A14-T95 HydrophobicContact CB-CG2 3.94Å; A14-T99 HydrophobicContact CB-CG2 4.21Å
15S97.9Very high97.3Very high47 Ų4751.2 Ų51.233%0.32927%0.271SS..Hα-helixtrans-68-15.4176.277.20000114.4L11 E12 K13 Y59L11-S15 WeakPolarHBondContact O-CB 3.26Å; L11-S15 PolarHBondContact O-N 3.24Å; E12-S15 PolarHBondContact O-N 3.47Å; E12-S15 PolarHBondContact O-OG 3.07Å; K13-S15 VanDerWaalsContact C-N 3.27Å; K13-S15 PolarHBondContact O-N 3.18Å; S15-Y59 PolarHBondContact O-OH 3.32Å
16K97.6Very high97.4Very high116 Ų11653.7 Ų53.750%0.50428%0.278SS..THydrogen-bonded Turntrans-101.62.3176.8-63.9173.5-171170.20112.5E12 K13 A14 E18E12-K16 PolarHBondContact O-N 3.4Å; E12-K16 IonicContact OE1-NZ 2.72Å; E12-K16 PolarHBondContact OE1-NZ 3.34Å; K13-K16 PolarHBondContact O-N 3.18Å; A14-K16 PolarHBondContact O-N 2.97Å; K16-E18 HydrophobicContact CB-CG 4.06Å; K16-E18 WeakPolarHBondContact CD-OE1 3.35Å; K16-E18 PolarHBondContact O-N 3.08Å
17G96.7Very high97.4Very high15 Ų1550.9 Ų50.916%0.15527%0.267CS..THydrogen-bonded Turntrans71.217.7-176.700000113.4K13 A14 Y59 Q92K13-G17 PolarHBondContact O-N 3Å; A14-G17 PolarHBondContact O-N 3.36Å; G17-Y59 VanDerWaalsContact N-CZ 3.33Å; G17-Y59 PolarHBondContact N-OH 3.44Å; G17-Q92 VanDerWaalsContact O-CG 3.28Å; G17-Q92 WeakPolarHBondContact O-CG 3.3Å
18E97.6Very high97.4Very high84 Ų8449.4 Ų49.439%0.39326%0.259SS..PPolyproline II helixtrans-75.6145.6177.1-65.1176.7-147.900110.5K13 K16K13-E18 HydrophobicContact CB-CB 4.09Å; K13-E18 WeakPolarHBondContact O-CB 3.32Å; K13-E18 PolarHBondContact O-N 3.41Å; K13-E18 VanDerWaalsContact O-N 3.09Å; K16-E18 HydrophobicContact CB-CG 4.06Å; K16-E18 WeakPolarHBondContact CD-OE1 3.35Å; K16-E18 PolarHBondContact O-N 3.08Å
19L97.2Very high97.4Very high69 Ų6945 Ų4536%0.36124%0.236SC..PPolyproline II helixtrans-75131.7170.3-64.5176.7000109.6V91 Q92 K133L19-V91 HydrophobicContact CD2-CB 4.23Å; L19-V91 HydrophobicContact CD2-CG1 3.68Å; L19-Q92 HydrophobicContact CD2-CG 4.19Å; L19-K133 HydrophobicContact CD1-CB 4.16Å; L19-K133 HydrophobicContact CD1-CD 3.97Å; L19-K133 HydrophobicContact CD1-CG 4.11Å; L19-K133 HydrophobicContact CD2-CD 3.99Å
20L97Very high97.5Very high2 Ų248 Ų481%0.0124%0.244CC..PPolyproline II helixtrans-80.9153.5168.2-62.2-173000110C10 K13 D24 L25 T95 T99C10-L20 HydrophobicContact CB-CD1 3.76Å; C10-L20 HydrophobicContact CB-CD2 4.35Å; K13-L20 HydrophobicContact CB-CD2 3.53Å; K13-L20 HydrophobicContact CD-CD2 3.64Å; K13-L20 HydrophobicContact CG-CD2 4.24Å; L20-D24 HydrophobicContact CB-CB 4.28Å; L20-L25 HydrophobicContact CB-CD1 4.29Å; L20-L25 HydrophobicContact CB-CD2 3.87Å; L20-L25 HydrophobicContact CB-CG 3.69Å; L20-L25 HydrophobicContact CD1-CD2 3.96Å; L20-L25 HydrophobicContact CD1-CG 4.5Å; L20-L25 HydrophobicContact CG-CD2 4.29Å; L20-T95 HydrophobicContact CD1-CG2 3.47Å; L20-T95 VanDerWaalsContact CD1-CG2 3.47Å; L20-T95 HydrophobicContact CG-CG2 3.82Å; L20-T99 HydrophobicContact CD1-CG2 4.43Å
21D94.8Very high97.5Very high80 Ų8051 Ų5143%0.42826%0.259SS..PPolyproline II helixtrans-63.5149.6171-58.5-41.2000109.6K3 S23 D24 L25K3-D21 IonicContact NZ-OD2 2.69Å; K3-D21 PolarHBondContact NZ-OD2 3.48Å; D21-S23 PolarHBondContact O-N 2.97Å; D21-S23 VanDerWaalsContact O-N 3.13Å; D21-D24 PolarHBondContact O-N 2.97Å; D21-L25 PolarHBondContact O-N 3.39Å
22E94.7Very high97.5Very high55 Ų5550 Ų5026%0.25725%0.254SS..Hα-helixtrans-54.3-38.4-178.2-170-168.9117.500112.2D24 L25 R26 F134E22-D24 PolarHBondContact O-N 2.84Å; E22-L25 PolarHBondContact O-N 2.84Å; E22-R26 HydrophobicContact CG-CG 4.4Å; E22-R26 WeakPolarHBondContact O-CB 3.23Å; E22-R26 VanDerWaalsContact O-CG 3.22Å; E22-R26 WeakPolarHBondContact O-CG 3.31Å; E22-R26 PolarHBondContact O-N 2.84Å; E22-F134 HydrophobicContact CB-CD1 4.39Å
23S95.5Very high97.5Very high78 Ų7846.1 Ų46.155%0.54524%0.236SC..Hα-helixtrans-63.1-39.9177.758.30000113.1D21 A27D21-S23 PolarHBondContact O-N 2.97Å; D21-S23 VanDerWaalsContact O-N 3.13Å; S23-A27 PolarHBondContact O-N 2.94Å; S23-A27 VanDerWaalsContact O-N 3.11Å
24D97.5Very high97.5Very high6 Ų646.8 Ų46.83%0.03224%0.242CC..Hα-helixtrans-70.4-41.9178.7-71.3-10.4000109.9K3 L20 D21 E22 R26 A27 V28K3-D24 IonicContact NZ-OD1 2.74Å; K3-D24 IonicContact NZ-OD2 3.71Å; K3-D24 PolarHBondContact NZ-OD2 2.82Å; L20-D24 HydrophobicContact CB-CB 4.28Å; D21-D24 PolarHBondContact O-N 2.97Å; E22-D24 PolarHBondContact O-N 2.84Å; D24-R26 PolarHBondContact O-N 2.85Å; D24-A27 PolarHBondContact O-N 2.85Å; D24-V28 WeakPolarHBondContact O-CG2 3.42Å; D24-V28 PolarHBondContact O-N 3.07Å
25L97.8Very high97.6Very high6 Ų648.2 Ų48.23%0.03125%0.25CS..Hα-helixtrans-60.9-44.9175.4-73.3169.8000112L20 D21 E22 A27 V28 I29 T95 F134 L139L20-L25 HydrophobicContact CB-CD1 4.29Å; L20-L25 HydrophobicContact CB-CD2 3.87Å; L20-L25 HydrophobicContact CB-CG 3.69Å; L20-L25 HydrophobicContact CD1-CD2 3.96Å; L20-L25 HydrophobicContact CD1-CG 4.5Å; L20-L25 HydrophobicContact CG-CD2 4.29Å; D21-L25 PolarHBondContact O-N 3.39Å; E22-L25 PolarHBondContact O-N 2.84Å; L25-A27 VanDerWaalsContact C-N 3.29Å; L25-A27 PolarHBondContact O-N 2.74Å; L25-V28 PolarHBondContact O-N 3.44Å; L25-I29 WeakPolarHBondContact O-CB 3.25Å; L25-I29 VanDerWaalsContact O-CG1 3.25Å; L25-I29 WeakPolarHBondContact O-CG1 3.29Å; L25-I29 PolarHBondContact O-N 3.11Å; L25-T95 HydrophobicContact CD2-CG2 3.74Å; L25-T95 WeakPolarHBondContact CD2-OG1 3.38Å; L25-F134 HydrophobicContact CD1-CE1 3.79Å; L25-F134 HydrophobicContact CD1-CZ 3.55Å; L25-L139 HydrophobicContact CB-CD1 3.9Å; L25-L139 HydrophobicContact CD1-CD1 3.89Å; L25-L139 HydrophobicContact CD1-CD2 3.71Å; L25-L139 HydrophobicContact CD1-CG 4.47Å; L25-L139 HydrophobicContact CG-CD1 4.42Å
26R97.2Very high97.6Very high121 Ų12146 Ų4646%0.45724%0.235SC..Hα-helixtrans-60.9-39.6176.7-73.3176.769.8-176.7-2.5112E22 D24 K30 F142E22-R26 HydrophobicContact CG-CG 4.4Å; E22-R26 WeakPolarHBondContact O-CB 3.23Å; E22-R26 VanDerWaalsContact O-CG 3.22Å; E22-R26 WeakPolarHBondContact O-CG 3.31Å; E22-R26 PolarHBondContact O-N 2.84Å; D24-R26 PolarHBondContact O-N 2.85Å; R26-K30 WeakPolarHBondContact O-CB 3.08Å; R26-K30 PolarHBondContact O-N 3.11Å; R26-F142 HydrophobicContact CG-CD2 3.6Å; R26-F142 HydrophobicContact CG-CE2 3.66Å; R26-F142 HydrophobicContact CG-CG 4.39Å; R26-F142 HydrophobicContact CG-CZ 4.47Å
27A98.1Very high97.6Very high28 Ų2845.1 Ų45.123%0.23124%0.235CC..Hα-helixtrans-65.6-45.2175.300000111.9F5 S23 D24 L25 I29 K30 L31F5-A27 HydrophobicContact CD1-CB 4.4Å; F5-A27 HydrophobicContact CD2-CB 3.41Å; F5-A27 VanDerWaalsContact CD2-CB 3.41Å; F5-A27 HydrophobicContact CE1-CB 4.49Å; F5-A27 HydrophobicContact CE2-CB 3.52Å; F5-A27 HydrophobicContact CG-CB 3.88Å; F5-A27 HydrophobicContact CZ-CB 4.07Å; S23-A27 PolarHBondContact O-N 2.94Å; S23-A27 VanDerWaalsContact O-N 3.11Å; D24-A27 PolarHBondContact O-N 2.85Å; L25-A27 VanDerWaalsContact C-N 3.29Å; L25-A27 PolarHBondContact O-N 2.74Å; A27-I29 PolarHBondContact O-N 3.07Å; A27-K30 PolarHBondContact O-N 3.47Å; A27-L31 WeakPolarHBondContact O-CG 3.45Å; A27-L31 PolarHBondContact O-N 2.97Å
28V98.7Very high97.7Very high2 Ų251.3 Ų51.31%0.01227%0.265CS..Hα-helixtrans-60-45.9174.7171.50000111.2F5 L7 C10 D24 L25 K30 L31 A32 L98 T99F5-V28 HydrophobicContact CE2-CG2 3.97Å; F5-V28 HydrophobicContact CZ-CG2 4.09Å; L7-V28 HydrophobicContact CD1-CG2 4.42Å; C10-V28 HydrophobicContact CB-CG2 4.3Å; D24-V28 WeakPolarHBondContact O-CG2 3.42Å; D24-V28 PolarHBondContact O-N 3.07Å; L25-V28 PolarHBondContact O-N 3.44Å; V28-K30 VanDerWaalsContact C-N 3.33Å; V28-K30 PolarHBondContact O-N 3.22Å; V28-L31 PolarHBondContact O-N 2.93Å; V28-A32 WeakPolarHBondContact O-CB 3.5Å; V28-A32 PolarHBondContact O-N 3.39Å; V28-L98 HydrophobicContact CG1-CB 3.8Å; V28-T99 HydrophobicContact CG1-CG2 4.01Å; V28-T99 HydrophobicContact CG2-CG2 4.02Å
29I98.7Very high97.7Very high8 Ų848.6 Ų48.64%0.04125%0.252CS..Hα-helixtrans-58.8-45.6177.4-73.7167.1000110.5L25 A27 L31 A32 Q33 L98 L139 F142 L146L25-I29 WeakPolarHBondContact O-CB 3.25Å; L25-I29 VanDerWaalsContact O-CG1 3.25Å; L25-I29 WeakPolarHBondContact O-CG1 3.29Å; L25-I29 PolarHBondContact O-N 3.11Å; A27-I29 PolarHBondContact O-N 3.07Å; I29-L31 PolarHBondContact O-N 2.8Å; I29-A32 PolarHBondContact O-N 3.12Å; I29-Q33 WeakPolarHBondContact O-CG 3.21Å; I29-Q33 PolarHBondContact O-N 2.99Å; I29-L98 HydrophobicContact CG1-CD1 4.12Å; I29-L139 HydrophobicContact CD1-CD1 3.92Å; I29-F142 HydrophobicContact CD1-CB 3.95Å; I29-L146 HydrophobicContact CG1-CD2 4.28Å; I29-L146 HydrophobicContact CG2-CB 3.96Å; I29-L146 HydrophobicContact CG2-CD1 4.49Å; I29-L146 HydrophobicContact CG2-CD2 4.27Å; I29-L146 HydrophobicContact CG2-CG 4.49Å
30K98.4Very high97.8Very high106 Ų10649.8 Ų49.846%0.46126%0.259SS..Hα-helixtrans-63.6-43.3179.8-178.555.5-176.1135.70112.1R26 A27 V28 A32 Q33 D34R26-K30 WeakPolarHBondContact O-CB 3.08Å; R26-K30 PolarHBondContact O-N 3.11Å; A27-K30 PolarHBondContact O-N 3.47Å; V28-K30 VanDerWaalsContact C-N 3.33Å; V28-K30 PolarHBondContact O-N 3.22Å; K30-A32 VanDerWaalsContact C-N 3.31Å; K30-A32 PolarHBondContact O-N 3.44Å; K30-Q33 WeakPolarHBondContact O-CB 3.45Å; K30-Q33 PolarHBondContact O-N 3Å; K30-D34 IonicContact NZ-OD1 2.63Å; K30-D34 PolarHBondContact NZ-OD1 3.07Å; K30-D34 IonicContact NZ-OD2 3.6Å; K30-D34 PolarHBondContact O-N 2.76Å; K30-D34 VanDerWaalsContact O-N 3.16Å
31L98.7Very high97.8Very high63 Ų6350.2 Ų50.233%0.3326%0.261SS..Hα-helixtrans-62.8-39174.4-68.9171.3000111.7F5 A27 V28 I29 D34 V35 V102F5-L31 HydrophobicContact CE1-CD1 3.58Å; F5-L31 HydrophobicContact CZ-CD1 3.78Å; A27-L31 WeakPolarHBondContact O-CG 3.45Å; A27-L31 PolarHBondContact O-N 2.97Å; V28-L31 PolarHBondContact O-N 2.93Å; I29-L31 PolarHBondContact O-N 2.8Å; L31-D34 PolarHBondContact O-N 3.02Å; L31-V35 WeakPolarHBondContact O-CG2 3.3Å; L31-V35 PolarHBondContact O-N 3.39Å; L31-V102 HydrophobicContact CB-CB 4.47Å; L31-V102 HydrophobicContact CB-CG1 3.68Å; L31-V102 HydrophobicContact CB-CG2 3.85Å; L31-V102 HydrophobicContact CD1-CG1 3.95Å; L31-V102 HydrophobicContact CG-CG1 4.4Å
32A98.8Very high98Very high0 Ų046.4 Ų46.40%024%0.241CC..Hα-helixtrans-65-40.9176.800000111.9V28 I29 K30 D34 V35 F36 L98 V102 L146V28-A32 WeakPolarHBondContact O-CB 3.5Å; V28-A32 PolarHBondContact O-N 3.39Å; I29-A32 PolarHBondContact O-N 3.12Å; K30-A32 VanDerWaalsContact C-N 3.31Å; K30-A32 PolarHBondContact O-N 3.44Å; A32-D34 VanDerWaalsContact C-N 3.28Å; A32-D34 PolarHBondContact O-N 3.13Å; A32-V35 PolarHBondContact O-N 2.91Å; A32-F36 HydrophobicContact CB-CD2 4.34Å; A32-F36 HydrophobicContact CB-CE2 4.16Å; A32-F36 WeakPolarHBondContact O-CD2 3.34Å; A32-F36 WeakPolarHBondContact O-CG 3.47Å; A32-F36 PolarHBondContact O-N 3.47Å; A32-L98 HydrophobicContact CB-CD2 3.96Å; A32-V102 HydrophobicContact CB-CG2 3.8Å; A32-L146 HydrophobicContact CB-CD1 3.84Å
33Q98.6Very high98.2Very high27 Ų2744.3 Ų44.313%0.12623%0.232CC..Hα-helixtrans-56.8-44.1172.9-71.8177.7-40.700111.4I29 K30 V35 F36 L37 L146 Y149I29-Q33 WeakPolarHBondContact O-CG 3.21Å; I29-Q33 PolarHBondContact O-N 2.99Å; K30-Q33 WeakPolarHBondContact O-CB 3.45Å; K30-Q33 PolarHBondContact O-N 3Å; Q33-V35 VanDerWaalsContact C-N 3.33Å; Q33-V35 PolarHBondContact O-N 3.4Å; Q33-F36 PolarHBondContact O-N 3.28Å; Q33-L37 WeakPolarHBondContact O-CB 3.46Å; Q33-L37 PolarHBondContact O-N 3.02Å; Q33-L146 HydrophobicContact CB-CD1 4.34Å; Q33-L146 HydrophobicContact CG-CB 4.42Å; Q33-L146 HydrophobicContact CG-CD1 3.5Å; Q33-Y149 HydrophobicContact CB-CD1 4.3Å; Q33-Y149 HydrophobicContact CB-CE1 4.41Å; Q33-Y149 HydrophobicContact CB-CG 4.38Å; Q33-Y149 HydrophobicContact CG-CD2 3.99Å; Q33-Y149 HydrophobicContact CG-CE2 4.14Å; Q33-Y149 HydrophobicContact CG-CG 4.26Å
34D98.4Very high98.4Very high68 Ų6848.5 Ų48.536%0.36424%0.236SC..Hα-helixtrans-65.8-36.4179.8-62.3-17.1000111.4K30 L31 A32 N38K30-D34 IonicContact NZ-OD1 2.63Å; K30-D34 PolarHBondContact NZ-OD1 3.07Å; K30-D34 IonicContact NZ-OD2 3.6Å; K30-D34 PolarHBondContact O-N 2.76Å; K30-D34 VanDerWaalsContact O-N 3.16Å; L31-D34 PolarHBondContact O-N 3.02Å; A32-D34 VanDerWaalsContact C-N 3.28Å; A32-D34 PolarHBondContact O-N 3.13Å; D34-N38 PolarHBondContact O-ND2 2.91Å
35V98.7Very high98.4Very high31 Ų3148.6 Ų48.619%0.18824%0.236CC..Hα-helixtrans-64.9-52.8172174.50000110.9L31 A32 Q33 L37 N38 K101 P105L31-V35 WeakPolarHBondContact O-CG2 3.3Å; L31-V35 PolarHBondContact O-N 3.39Å; A32-V35 PolarHBondContact O-N 2.91Å; Q33-V35 VanDerWaalsContact C-N 3.33Å; Q33-V35 PolarHBondContact O-N 3.4Å; V35-L37 VanDerWaalsContact C-N 3.25Å; V35-L37 PolarHBondContact O-N 3.28Å; V35-N38 PolarHBondContact O-N 3.42Å; V35-K101 HydrophobicContact CG1-CD 4.36Å; V35-P105 HydrophobicContact CG1-CB 3.71Å
36F98.8Very high98.4Very high0 Ų053.3 Ų53.30%026%0.261CS..Hα-helixtrans-62.9-29-178.3-73.3-54.7000113.7A32 Q33 N38 E39 L98 K101 L110 L146 M150 R182A32-F36 HydrophobicContact CB-CD2 4.34Å; A32-F36 HydrophobicContact CB-CE2 4.16Å; A32-F36 WeakPolarHBondContact O-CD2 3.34Å; A32-F36 WeakPolarHBondContact O-CG 3.47Å; A32-F36 PolarHBondContact O-N 3.47Å; Q33-F36 PolarHBondContact O-N 3.28Å; F36-N38 PolarHBondContact O-N 2.64Å; F36-E39 VanDerWaalsContact CD1-OE2 3.28Å; F36-E39 WeakPolarHBondContact CD1-OE2 3.24Å; F36-E39 PolarHBondContact O-N 2.99Å; F36-E39 VanDerWaalsContact O-N 3.11Å; F36-L98 HydrophobicContact CE2-CD2 4.17Å; F36-K101 HydrophobicContact CE1-CD 4.4Å; F36-K101 HydrophobicContact CE1-CG 4.38Å; F36-K101 HydrophobicContact CZ-CG 4.12Å; F36-L110 HydrophobicContact CE1-CB 4.15Å; F36-L110 HydrophobicContact CZ-CB 4Å; F36-L110 HydrophobicContact CZ-CD1 4.07Å; F36-L110 HydrophobicContact CZ-CG 4.47Å; F36-L146 HydrophobicContact CD2-CD1 3.76Å; F36-L146 HydrophobicContact CE2-CD1 3.88Å; F36-L146 HydrophobicContact CE2-CG 4.44Å; F36-M150 HydrophobicContact CE1-CG 4.3Å; F36-M150 HydrophobicContact CE2-CE 4.31Å; F36-M150 HydrophobicContact CE2-CG 4.1Å; F36-M150 HydrophobicContact CZ-CE 4.25Å; F36-M150 HydrophobicContact CZ-CG 3.96Å; F36-R182 PolarHBondContact O-NH2 3.48Å
37L98.1Very high98.5Very high99 Ų9948.8 Ų48.852%0.51825%0.248SC..Hα-helixtrans-61.9-27.3175.8-17464.2000112.2Q33 V35 E39 Y149 F183Q33-L37 WeakPolarHBondContact O-CB 3.46Å; Q33-L37 PolarHBondContact O-N 3.02Å; V35-L37 VanDerWaalsContact C-N 3.25Å; V35-L37 PolarHBondContact O-N 3.28Å; L37-E39 VanDerWaalsContact C-N 3.34Å; L37-Y149 HydrophobicContact CB-CD1 4.44Å; L37-Y149 HydrophobicContact CD1-CD1 4.48Å; L37-Y149 HydrophobicContact CD1-CE1 4.27Å; L37-F183 HydrophobicContact CD1-CE1 4.24Å; L37-F183 HydrophobicContact CD1-CZ 4.22Å
38N97.6Very high98.5Very high144 Ų14451.8 Ų51.877%0.7727%0.266SS*.THydrogen-bonded Turntrans-88.71.1178.2-66.7-65.6000113.5D34 V35 F36D34-N38 PolarHBondContact O-ND2 2.91Å; V35-N38 PolarHBondContact O-N 3.42Å; F36-N38 PolarHBondContact O-N 2.64Å
39E98.4Very high98.5Very high27 Ų2752 Ų5213%0.12627%0.266CS..SBendtrans-96.5154.9178.1-61.1-169.4146.300111.8F36 L37 V43 K101 P151 R182F36-E39 VanDerWaalsContact CD1-OE2 3.28Å; F36-E39 WeakPolarHBondContact CD1-OE2 3.24Å; F36-E39 PolarHBondContact O-N 2.99Å; F36-E39 VanDerWaalsContact O-N 3.11Å; L37-E39 VanDerWaalsContact C-N 3.34Å; E39-V43 HydrophobicContact CB-CG1 3.98Å; E39-K101 WeakPolarHBondContact OE1-CE 3.46Å; E39-K101 IonicContact OE1-NZ 3.18Å; E39-K101 PolarHBondContact OE1-NZ 3.49Å; E39-K101 IonicContact OE2-NZ 3.47Å; E39-P151 HydrophobicContact CB-CG 4.09Å; E39-P151 WeakPolarHBondContact OE2-CG 3.49Å; E39-R182 VanDerWaalsContact O-CZ 3.26Å; E39-R182 PolarHBondContact O-NH1 3.38Å; E39-R182 PolarHBondContact O-NH2 3.33Å
40D98.4Very high98.5Very high94 Ų9451.8 Ų51.850%0.50327%0.266SS..  trans-79.3163.4171.6-78.3-33.1000111.5V42 R182D40-V42 WeakPolarHBondContact CB-O 3.43Å; D40-V42 PolarHBondContact O-N 3.27Å; D40-R182 PolarHBondContact O-NH1 3.28Å
41T98.8Very high98.5Very high11 Ų1146.8 Ų46.87%0.06724%0.244CC..SBendtrans-66.6-31.9176.8-65.10000110.8I152 A153 N178 R182T41-I152 HydrophobicContact CG2-CB 4.11Å; T41-I152 HydrophobicContact CG2-CD1 3.66Å; T41-I152 HydrophobicContact CG2-CG1 3.9Å; T41-I152 PolarHBondContact O-N 3.24Å; T41-A153 PolarHBondContact O-N 2.89Å; T41-N178 PolarHBondContact N-OD1 2.72Å; T41-R182 VanDerWaalsContact CA-NH1 3.34Å; T41-R182 HydrophobicContact CG2-CB 4.14Å; T41-R182 WeakPolarHBondContact OG1-CD 3.32Å; T41-R182 PolarHBondContact OG1-NH1 2.92Å; T41-R182 VanDerWaalsContact OG1-NH1 3.09Å
42V98.9Very high98.6Very high1 Ų143.8 Ų43.81%0.00623%0.228CC..EExtended strand (participates in β ladder)trans-116.1105.9165.4-174.50000109D40 A153 V155 I174 I177 N178D40-V42 WeakPolarHBondContact CB-O 3.43Å; D40-V42 PolarHBondContact O-N 3.27Å; V42-A153 VanDerWaalsContact CA-O 3.3Å; V42-A153 WeakPolarHBondContact CA-O 3.4Å; V42-A153 HydrophobicContact CG1-CB 4.28Å; V42-A153 HydrophobicContact CG2-CB 4.23Å; V42-V155 HydrophobicContact CG1-CG2 3.78Å; V42-I174 HydrophobicContact CB-CG2 4.38Å; V42-I174 HydrophobicContact CG1-CG2 3.84Å; V42-I174 HydrophobicContact CG2-CG2 4.31Å; V42-I177 HydrophobicContact CG2-CB 4.08Å; V42-I177 HydrophobicContact CG2-CG2 3.63Å; V42-N178 HydrophobicContact CB-CB 4.21Å; V42-N178 HydrophobicContact CG2-CB 3.88Å; V42-N178 PolarHBondContact N-OD1 2.68Å
43V98.7Very high98.6Very high10 Ų1043.8 Ų43.86%0.06123%0.228CC..EExtended strand (participates in β ladder)trans-75.1142.7178.3-62.20000111.2E39 L45 L111 P151 A153 A154 V155E39-V43 HydrophobicContact CB-CG1 3.98Å; V43-L45 HydrophobicContact CB-CD2 4.5Å; V43-L45 HydrophobicContact CG2-CD1 4.12Å; V43-L45 HydrophobicContact CG2-CD2 4.36Å; V43-L45 HydrophobicContact CG2-CG 4.18Å; V43-L111 HydrophobicContact CG2-CD2 4.35Å; V43-P151 HydrophobicContact CG1-CB 3.99Å; V43-P151 HydrophobicContact CG1-CG 3.76Å; V43-A153 PolarHBondContact N-O 3.43Å; V43-A154 HydrophobicContact CG2-CB 3.44Å; V43-A154 VanDerWaalsContact CG2-CB 3.44Å; V43-A154 CarbonylContact O-C 3.44Å; V43-A154 VanDerWaalsContact O-CA 3.22Å; V43-A154 WeakPolarHBondContact O-CA 3.23Å; V43-V155 PolarHBondContact O-N 2.96Å
44R98.7Very high98.6Very high166 Ų16642.5 Ų42.563%0.62622%0.223SC*.EExtended strand (participates in β ladder)trans-109.5120.7-179.8-64.4-177.6-178.9-84.1-1110.1
45L98.6Very high98.6Very high8 Ų839.4 Ų39.44%0.04221%0.206CC..EExtended strand (participates in β ladder)trans-127.6160.9-169.2-52.9178.3000110.6V43 L49 V78 F109 A154 V155 V156 D157V43-L45 HydrophobicContact CB-CD2 4.5Å; V43-L45 HydrophobicContact CG2-CD1 4.12Å; V43-L45 HydrophobicContact CG2-CD2 4.36Å; V43-L45 HydrophobicContact CG2-CG 4.18Å; L45-L49 HydrophobicContact CB-CD2 3.9Å; L45-L49 HydrophobicContact CD1-CD2 4.22Å; L45-V78 HydrophobicContact CD1-CG2 3.37Å; L45-F109 HydrophobicContact CD1-CB 4.23Å; L45-F109 HydrophobicContact CD1-CD1 4.22Å; L45-F109 HydrophobicContact CD1-CD2 3.77Å; L45-F109 HydrophobicContact CD1-CE2 4.23Å; L45-F109 HydrophobicContact CD1-CG 3.78Å; L45-F109 HydrophobicContact CD2-CD1 3.67Å; L45-F109 HydrophobicContact CD2-CD2 4Å; L45-F109 HydrophobicContact CD2-CE1 3.36Å; L45-F109 HydrophobicContact CD2-CE2 3.72Å; L45-F109 HydrophobicContact CD2-CG 3.99Å; L45-F109 HydrophobicContact CD2-CZ 3.39Å; L45-A154 HydrophobicContact CD1-CB 4.03Å; L45-V155 PolarHBondContact N-O 3.11Å; L45-V156 HydrophobicContact CB-CG2 4.35Å; L45-V156 CarbonylContact O-C 3.57Å; L45-V156 WeakPolarHBondContact O-CA 3.43Å; L45-D157 PolarHBondContact O-N 3.27Å
46N98.3Very high98.6Very high105 Ų10538 Ų3856%0.56120%0.197SC*.  trans-124.9147.1174.6-57.1-60.5000110R76 D157N46-R76 PolarHBondContact O-NH1 2.86Å; N46-D157 WeakPolarHBondContact CA-OD1 3.29Å
47S98.2Very high98.6Very high26 Ų2638 Ų3818%0.18220%0.197CC..SBendtrans-64.5157.4167.753.20000111.8D157 V275 S277S47-D157 WeakPolarHBondContact CB-OD2 3.38Å; S47-D157 PolarHBondContact N-OD1 3.07Å; S47-D157 VanDerWaalsContact OG-CG 3.27Å; S47-D157 PolarHBondContact OG-OD1 2.89Å; S47-D157 PolarHBondContact OG-OD2 3.27Å; S47-V275 WeakPolarHBondContact CB-O 3.38Å; S47-S277 WeakPolarHBondContact OG-CA 3.45Å
48P98.4Very high98.6Very high92 Ų9233.5 Ų33.560%0.59717%0.174SC*.SBendcis-76.8139.80.332.2-35.2000113.2V275P48-V275 VanDerWaalsContact CA-O 3.31Å; P48-V275 WeakPolarHBondContact CA-O 3.33Å
49L98.8Very high98.6Very high5 Ų527 Ų273%0.02614%0.138CC..EExtended strand (participates in β ladder)trans-157.3169.617162.377.2000111.7L45 I51 R76 V78 V156 V275L45-L49 HydrophobicContact CB-CD2 3.9Å; L45-L49 HydrophobicContact CD1-CD2 4.22Å; L49-I51 HydrophobicContact CD1-CD1 4.34Å; L49-I51 HydrophobicContact CD1-CG1 3.68Å; L49-R76 CarbonylContact C-O 3.47Å; L49-R76 VanDerWaalsContact CA-O 3.3Å; L49-R76 WeakPolarHBondContact CA-O 3.32Å; L49-R76 HydrophobicContact CB-CB 3.89Å; L49-V78 HydrophobicContact CD1-CG2 4.01Å; L49-V78 HydrophobicContact CD2-CG2 3.94Å; L49-V156 HydrophobicContact CD1-CG1 4.23Å; L49-V156 HydrophobicContact CD1-CG2 4.16Å; L49-V156 HydrophobicContact CD2-CB 4.44Å; L49-V156 HydrophobicContact CD2-CG1 3.7Å; L49-V156 HydrophobicContact CD2-CG2 3.89Å; L49-V156 HydrophobicContact CG-CG1 4.04Å; L49-V275 HydrophobicContact CD1-CB 4.47Å; L49-V275 PolarHBondContact N-O 3.19Å; L49-V275 PolarHBondContact O-N 3.42Å
50T98.9Very high98.6Very high5 Ų528.8 Ų28.83%0.03115%0.146CC..EExtended strand (participates in β ladder)trans-121.1125.6179.5-56.50000110.1R76 Y77 V78 I272 E274T50-R76 PolarHBondContact N-O 2.6Å; T50-Y77 HydrophobicContact CG2-CD1 3.93Å; T50-Y77 HydrophobicContact CG2-CE1 3.72Å; T50-Y77 CarbonylContact O-C 3.18Å; T50-Y77 VanDerWaalsContact O-CA 3.26Å; T50-Y77 WeakPolarHBondContact O-CA 3.25Å; T50-V78 PolarHBondContact O-N 3.45Å; T50-I272 HydrophobicContact CG2-CB 3.63Å; T50-I272 HydrophobicContact CG2-CD1 4Å; T50-I272 HydrophobicContact CG2-CG1 4.22Å; T50-I272 HydrophobicContact CG2-CG2 4.14Å; T50-E274 HydrophobicContact CG2-CG 4.07Å
51I98.9Very high98.6Very high0 Ų024.5 Ų24.50%012%0.123CC..EExtended strand (participates in β ladder)trans-93.4130.8176.7-59.1169.2000108.9L49 V78 L80 C162 C235 F273 V275L49-I51 HydrophobicContact CD1-CD1 4.34Å; L49-I51 HydrophobicContact CD1-CG1 3.68Å; I51-V78 CarbonylContact C-O 3.52Å; I51-V78 WeakPolarHBondContact CA-O 3.19Å; I51-V78 HydrophobicContact CG1-CB 4.42Å; I51-L80 HydrophobicContact CG2-CD1 3.68Å; I51-L80 HydrophobicContact CG2-CD2 3.86Å; I51-L80 HydrophobicContact CG2-CG 3.78Å; I51-C162 VanDerWaalsContact CD1-SG 3.54Å; I51-C235 HydrophobicContact CD1-CB 4.03Å; I51-F273 HydrophobicContact CB-CB 4.23Å; I51-F273 HydrophobicContact CB-CD1 4.49Å; I51-F273 HydrophobicContact CD1-CD1 4.11Å; I51-F273 PolarHBondContact N-O 2.74Å; I51-F273 PolarHBondContact O-N 3.36Å; I51-V275 HydrophobicContact CD1-CG2 4.04Å
52C98.9Very high98.6Very high0 Ų024 Ų240%012%0.12CC..EExtended strand (participates in β ladder)trans-124.3134.9-177.3-560000110.1L65 Y77 V78 F79 L80C52-L65 HydrophobicContact CB-CD1 4.12Å; C52-Y77 VanDerWaalsContact SG-CD1 3.58Å; C52-V78 PolarHBondContact N-O 3.31Å; C52-F79 HydrophobicContact CB-CD1 3.51Å; C52-F79 HydrophobicContact CB-CE1 3.66Å; C52-F79 HydrophobicContact CB-CG 4.07Å; C52-F79 HydrophobicContact CB-CZ 4.34Å; C52-F79 WeakPolarHBondContact O-CA 3.46Å; C52-L80 WeakPolarHBondContact O-CB 3.08Å; C52-L80 VanDerWaalsContact O-CG 3.29Å; C52-L80 WeakPolarHBondContact O-CG 3.42Å; C52-L80 PolarHBondContact O-N 2.83Å
53G98.8Very high98.5Very high0 Ų025 Ų250%013%0.125CC..  trans-83.6-152.117400000113.2V256 S258G53-V256 WeakPolarHBondContact CA-O 3.2Å; G53-S258 PolarHBondContact N-OG 3.1Å
54D98.9Very high98.5Very high1 Ų127.6 Ų27.61%0.00514%0.136CC..  trans-56.7143.1-178-54.445.3000112.5H56 D82 H164 A237 H238 W257 S258 A259D54-H56 IonicContact OD2-CD2 2.78Å; D54-H56 IonicContact OD2-NE2 3.47Å; D54-D82 HydrophobicContact CB-CB 4.16Å; D54-H164 IonicContact OD1-CE1 2.81Å; D54-H164 IonicContact OD2-CE1 3.4Å; D54-A237 WeakPolarHBondContact OD1-CB 3.33Å; D54-H238 PolarHBondContact OD1-N 3.08Å; D54-W257 HydrophobicContact CB-CD2 4.4Å; D54-W257 HydrophobicContact CB-CE3 4.01Å; D54-W257 HydrophobicContact CB-CH2 3.68Å; D54-W257 HydrophobicContact CB-CZ2 4.09Å; D54-W257 HydrophobicContact CB-CZ3 3.67Å; D54-W257 WeakPolarHBondContact OD2-CH2 3.48Å; D54-W257 WeakPolarHBondContact OD2-CZ3 3.11Å; D54-S258 CarbonylContact O-C 3.43Å; D54-S258 WeakPolarHBondContact O-CA 3.46Å; D54-S258 WeakPolarHBondContact O-CB 3.44Å; D54-S258 PolarHBondContact O-N 3.29Å; D54-A259 WeakPolarHBondContact O-CB 3.45Å; D54-A259 PolarHBondContact O-N 3.06Å; D54-A259 VanDerWaalsContact O-N 3.12Å
55I98.8Very high98.5Very high2 Ų219.7 Ų19.71%0.0111%0.106CC..  trans-119.3-36.8177.3-54.8-62.7000111.9G57 Q58 L62 L65 F79 D82 T93I55-G57 PolarHBondContact O-N 2.73Å; I55-Q58 VanDerWaalsContact O-CB 3.28Å; I55-Q58 WeakPolarHBondContact O-CB 3.13Å; I55-Q58 PolarHBondContact O-N 2.97Å; I55-Q58 VanDerWaalsContact O-N 3.12Å; I55-L62 HydrophobicContact CD1-CD1 4.16Å; I55-L62 HydrophobicContact CG2-CB 4.05Å; I55-L65 HydrophobicContact CD1-CD1 3.97Å; I55-F79 HydrophobicContact CD1-CD1 4.34Å; I55-F79 HydrophobicContact CD1-CE1 4.11Å; I55-F79 HydrophobicContact CG1-CD1 4.16Å; I55-F79 HydrophobicContact CG1-CE1 4.27Å; I55-D82 PolarHBondContact N-O 3.25Å; I55-T93 HydrophobicContact CB-CG2 4.25Å; I55-T93 HydrophobicContact CG2-CG2 3.57Å
56H98.5Very high98.5Very high3 Ų319.3 Ų19.31%0.01410%0.104CC..THydrogen-bonded Turntrans5053.5170.8-83.1-50000115.1D54 Q58 D82 V84 D85 R86 G87 H115 W257 Y262D54-H56 IonicContact OD2-CD2 2.78Å; D54-H56 IonicContact OD2-NE2 3.47Å; H56-Q58 PolarHBondContact O-N 3.27Å; H56-D82 IonicContact CE1-OD2 3.45Å; H56-D82 PolarHBondContact N-O 2.9Å; H56-D82 IonicContact NE2-OD2 3.76Å; H56-V84 PolarHBondContact ND1-O 3.3Å; H56-D85 CarbonylContact C-O 3.47Å; H56-D85 VanDerWaalsContact CA-O 3.24Å; H56-D85 WeakPolarHBondContact CA-O 3.42Å; H56-D85 WeakPolarHBondContact CB-O 3.34Å; H56-R86 HydrophobicContact CB-CB 4.12Å; H56-R86 HydrophobicContact CB-CG 4.48Å; H56-G87 WeakPolarHBondContact O-CA 3.43Å; H56-G87 PolarHBondContact O-N 3.28Å; H56-H115 AromaticContact CE1-CD2 3.59Å; H56-H115 AromaticContact CE1-CE1 3.8Å; H56-H115 AromaticContact CE1-CG 3.81Å; H56-H115 AromaticContact CE1-ND1 3.93Å; H56-H115 AromaticContact CE1-NE2 3.59Å; H56-W257 AromaticContact CD2-CH2 3.88Å; H56-Y262 HydrophobicContact CB-CD2 4.44Å; H56-Y262 HydrophobicContact CB-CE2 3.89Å; H56-Y262 AromaticContact CD2-CE2 3.16Å; H56-Y262 WeakPolarHBondContact CD2-CE2 3.31Å; H56-Y262 AromaticContact CD2-CZ 3.62Å; H56-Y262 PolarHBondContact CD2-OH 3.35Å; H56-Y262 AromaticContact CG-CE2 3.67Å; H56-Y262 AromaticContact NE2-CE2 3.76Å; H56-Y262 AromaticContact NE2-CZ 3.72Å; H56-Y262 PolarHBondContact NE2-OH 2.66Å; H56-Y262 VanDerWaalsContact NE2-OH 3.08Å
57G98.3Very high98.4Very high0 Ų020.5 Ų20.50%010%0.104CC..THydrogen-bonded Turntrans61.818.717600000114.8I55 Y59 Y83 H89I55-G57 PolarHBondContact O-N 2.73Å; G57-Y59 PolarHBondContact O-N 3.43Å; G57-Y83 PolarHBondContact N-O 3.09Å; G57-H89 CarbonylContact O-C 3.59Å; G57-H89 WeakPolarHBondContact O-CA 3.42Å; G57-H89 VanDerWaalsContact O-CB 3.3Å; G57-H89 WeakPolarHBondContact O-CB 3.22Å; G57-H89 PolarHBondContact O-N 3.07Å
58Q98.2Very high98.4Very high4 Ų422.4 Ų22.42%0.01911%0.112CC..  trans-91.764.3176.2-66.3-172.1-12800111.2I55 H56 F60 D61 L62 P260 Y264I55-Q58 VanDerWaalsContact O-CB 3.28Å; I55-Q58 WeakPolarHBondContact O-CB 3.13Å; I55-Q58 PolarHBondContact O-N 2.97Å; I55-Q58 VanDerWaalsContact O-N 3.12Å; H56-Q58 PolarHBondContact O-N 3.27Å; Q58-F60 VanDerWaalsContact C-N 3.31Å; Q58-F60 PolarHBondContact O-N 3.14Å; Q58-D61 HydrophobicContact CB-CB 4.05Å; Q58-D61 WeakPolarHBondContact CB-OD2 3.44Å; Q58-D61 PolarHBondContact NE2-OD2 3.28Å; Q58-D61 WeakPolarHBondContact O-CB 3.36Å; Q58-D61 PolarHBondContact O-N 3.32Å; Q58-L62 PolarHBondContact O-N 3.43Å; Q58-P260 PolarHBondContact NE2-O 3.2Å; Q58-Y264 HydrophobicContact CG-CE1 4.44Å
59Y98.4Very high98.4Very high6 Ų618.5 Ų18.52%0.0249%0.089CC..Hα-helixtrans-49.9-44.8-175.3171.1-93.2000114.1A14 S15 G17 G57 D61 L62 E63 Q92 T93 R96A14-Y59 WeakPolarHBondContact O-CE2 3.39Å; A14-Y59 PolarHBondContact O-OH 3.48Å; S15-Y59 PolarHBondContact O-OH 3.32Å; G17-Y59 VanDerWaalsContact N-CZ 3.33Å; G17-Y59 PolarHBondContact N-OH 3.44Å; G57-Y59 PolarHBondContact O-N 3.43Å; Y59-D61 VanDerWaalsContact C-N 3.29Å; Y59-D61 PolarHBondContact O-N 3.13Å; Y59-L62 WeakPolarHBondContact O-CB 3.19Å; Y59-L62 PolarHBondContact O-N 2.87Å; Y59-E63 HydrophobicContact CE1-CG 3.9Å; Y59-E63 HydrophobicContact CE2-CG 4.2Å; Y59-E63 PolarHBondContact O-N 3.28Å; Y59-E63 VanDerWaalsContact O-N 3.1Å; Y59-Q92 HydrophobicContact CD2-CB 3.65Å; Y59-Q92 HydrophobicContact CE2-CB 4.36Å; Y59-Q92 HydrophobicContact CG-CB 3.8Å; Y59-T93 WeakPolarHBondContact CA-OG1 3.23Å; Y59-T93 PolarHBondContact N-OG1 3.49Å; Y59-R96 HydrophobicContact CD2-CB 4.31Å; Y59-R96 HydrophobicContact CE2-CB 3.96Å; Y59-R96 HydrophobicContact CE2-CG 4.06Å
60F97.9Very high98.4Very high66 Ų6619.3 Ų19.329%0.28910%0.098SC..Hα-helixtrans-67.2-33.3-178.3-61.2-68.7000112.4Q58 E63 E64 H89 A289 H291Q58-F60 VanDerWaalsContact C-N 3.31Å; Q58-F60 PolarHBondContact O-N 3.14Å; F60-E63 PolarHBondContact O-N 3.19Å; F60-E64 PolarHBondContact O-N 3.05Å; F60-E64 VanDerWaalsContact O-N 3.13Å; F60-H89 AromaticContact CE2-CE1 3.97Å; F60-H89 AromaticContact CE2-NE2 3.68Å; F60-A289 HydrophobicContact CB-CB 3.84Å; F60-H291 HydrophobicContact CD1-CB 4.34Å; F60-H291 HydrophobicContact CD2-CB 4.35Å; F60-H291 HydrophobicContact CG-CB 4.22Å
61D98.2Very high98.3Very high3 Ų323 Ų232%0.01612%0.115CC..Hα-helixtrans-72.8-31.7175.4-58.5-53.4000111.4Q58 Y59 E63 E64 L65 P260 P288 A289Q58-D61 HydrophobicContact CB-CB 4.05Å; Q58-D61 WeakPolarHBondContact CB-OD2 3.44Å; Q58-D61 PolarHBondContact NE2-OD2 3.28Å; Q58-D61 WeakPolarHBondContact O-CB 3.36Å; Q58-D61 PolarHBondContact O-N 3.32Å; Y59-D61 VanDerWaalsContact C-N 3.29Å; Y59-D61 PolarHBondContact O-N 3.13Å; D61-E63 VanDerWaalsContact C-N 3.31Å; D61-E63 PolarHBondContact O-N 2.74Å; D61-E64 PolarHBondContact O-N 3.14Å; D61-L65 WeakPolarHBondContact O-CB 3.33Å; D61-L65 PolarHBondContact O-N 3.22Å; D61-P260 HydrophobicContact CB-CG 3.81Å; D61-P260 WeakPolarHBondContact OD1-CG 3.36Å; D61-P288 WeakPolarHBondContact OD1-CA 3.19Å; D61-A289 WeakPolarHBondContact OD1-CB 3.39Å; D61-A289 PolarHBondContact OD1-N 2.92Å
62L98.5Very high98.3Very high0 Ų024 Ų240%012%0.121CC..Hα-helixtrans-61.8-37.7169174.764.7000112I55 Q58 Y59 L65 F66 F79 T93 R96 L97I55-L62 HydrophobicContact CD1-CD1 4.16Å; I55-L62 HydrophobicContact CG2-CB 4.05Å; Q58-L62 PolarHBondContact O-N 3.43Å; Y59-L62 WeakPolarHBondContact O-CB 3.19Å; Y59-L62 PolarHBondContact O-N 2.87Å; L62-L65 WeakPolarHBondContact O-CB 3.48Å; L62-L65 PolarHBondContact O-N 2.81Å; L62-F66 HydrophobicContact CD1-CD2 4.34Å; L62-F66 HydrophobicContact CD1-CE2 3.73Å; L62-F66 HydrophobicContact CD1-CZ 3.85Å; L62-F66 HydrophobicContact CD2-CE2 4.17Å; L62-F66 HydrophobicContact CG-CD2 4.22Å; L62-F66 HydrophobicContact CG-CE2 3.71Å; L62-F66 HydrophobicContact CG-CZ 4.32Å; L62-F66 WeakPolarHBondContact O-CD2 3.32Å; L62-F66 PolarHBondContact O-N 3.37Å; L62-F66 VanDerWaalsContact O-N 3.08Å; L62-F79 HydrophobicContact CD1-CE1 3.64Å; L62-F79 HydrophobicContact CD1-CZ 3.84Å; L62-T93 HydrophobicContact CD2-CG2 4.18Å; L62-R96 HydrophobicContact CD2-CB 4.28Å; L62-R96 HydrophobicContact CD2-CG 4.02Å; L62-L97 HydrophobicContact CD1-CD2 4.26Å; L62-L97 HydrophobicContact CD2-CD2 4.08Å; L62-L97 HydrophobicContact CD2-CG 4.1Å
63E98.2Very high98.3Very high24 Ų2426.8 Ų26.811%0.11214%0.139CC..Hα-helixtrans-71.7-33.7175.4-65.4-56.7130.300112.2Y59 F60 D61 L65 F66 K67 R96Y59-E63 HydrophobicContact CE1-CG 3.9Å; Y59-E63 HydrophobicContact CE2-CG 4.2Å; Y59-E63 PolarHBondContact O-N 3.28Å; Y59-E63 VanDerWaalsContact O-N 3.1Å; F60-E63 PolarHBondContact O-N 3.19Å; D61-E63 VanDerWaalsContact C-N 3.31Å; D61-E63 PolarHBondContact O-N 2.74Å; E63-L65 VanDerWaalsContact C-N 3.33Å; E63-F66 PolarHBondContact O-N 3.33Å; E63-K67 WeakPolarHBondContact O-CG 3.2Å; E63-K67 PolarHBondContact O-N 3.24Å; E63-R96 WeakPolarHBondContact OE1-CD 3.24Å; E63-R96 WeakPolarHBondContact OE1-CG 3.24Å; E63-R96 IonicContact OE1-CZ 3.54Å; E63-R96 IonicContact OE1-NE 3.18Å; E63-R96 PolarHBondContact OE1-NE 3.43Å; E63-R96 IonicContact OE1-NH2 3.85Å; E63-R96 IonicContact OE2-NE 3.75Å; E63-R96 IonicContact OE2-NH2 2.83Å; E63-R96 PolarHBondContact OE2-NH2 3.15Å
64E97.8Very high98.2Very high64 Ų6433.7 Ų33.730%0.29918%0.176SC..Hα-helixtrans-64.3-38.3169.4-66-53.3136.100111.9F60 D61 F66 K67 L68 F286 A289F60-E64 PolarHBondContact O-N 3.05Å; F60-E64 VanDerWaalsContact O-N 3.13Å; D61-E64 PolarHBondContact O-N 3.14Å; E64-F66 PolarHBondContact O-N 3.2Å; E64-K67 WeakPolarHBondContact O-CB 3.31Å; E64-K67 PolarHBondContact O-N 3.48Å; E64-K67 VanDerWaalsContact O-N 3.17Å; E64-K67 IonicContact OE1-NZ 3.91Å; E64-K67 PolarHBondContact OE1-NZ 3Å; E64-K67 IonicContact OE2-NZ 3.78Å; E64-L68 PolarHBondContact O-N 2.78Å; E64-F286 HydrophobicContact CB-CD2 4.26Å; E64-F286 HydrophobicContact CB-CE2 4.49Å; E64-A289 HydrophobicContact CG-CB 3.67Å
65L98.5Very high98.2Very high0 Ų034.9 Ų34.90%018%0.183CC..Hα-helixtrans-56.8-47.8172.5179.8159.6000111.3C52 I55 D61 L62 E63 K67 L68 G69 Y77 F79 I272 F286C52-L65 HydrophobicContact CB-CD1 4.12Å; I55-L65 HydrophobicContact CD1-CD1 3.97Å; D61-L65 WeakPolarHBondContact O-CB 3.33Å; D61-L65 PolarHBondContact O-N 3.22Å; L62-L65 WeakPolarHBondContact O-CB 3.48Å; L62-L65 PolarHBondContact O-N 2.81Å; E63-L65 VanDerWaalsContact C-N 3.33Å; L65-K67 VanDerWaalsContact C-N 3.32Å; L65-K67 PolarHBondContact O-N 2.85Å; L65-L68 PolarHBondContact O-N 3.26Å; L65-G69 PolarHBondContact O-N 3.49Å; L65-Y77 HydrophobicContact CD2-CD1 4.36Å; L65-Y77 HydrophobicContact CD2-CE1 3.83Å; L65-F79 HydrophobicContact CD1-CE1 4.33Å; L65-F79 HydrophobicContact CD2-CE1 4.47Å; L65-F79 HydrophobicContact CD2-CZ 4.26Å; L65-I272 HydrophobicContact CD1-CG2 3.81Å; L65-I272 HydrophobicContact CD2-CG2 4.07Å; L65-I272 HydrophobicContact CG-CG2 3.49Å; L65-I272 VanDerWaalsContact CG-CG2 3.49Å; L65-F286 HydrophobicContact CB-CE1 4.35Å; L65-F286 HydrophobicContact CB-CE2 4.39Å; L65-F286 HydrophobicContact CB-CZ 3.85Å; L65-F286 HydrophobicContact CD1-CZ 4.3Å; L65-F286 HydrophobicContact CG-CZ 4.37Å
66F98.5Very high98.2Very high0 Ų037.4 Ų37.40%019%0.193CC..Hα-helixtrans-67.6-29.5177.3-69.7-46.9000113.4L62 E63 E64 G70 Q71 V72 Y77 F79 R96 L97 L100L62-F66 HydrophobicContact CD1-CD2 4.34Å; L62-F66 HydrophobicContact CD1-CE2 3.73Å; L62-F66 HydrophobicContact CD1-CZ 3.85Å; L62-F66 HydrophobicContact CD2-CE2 4.17Å; L62-F66 HydrophobicContact CG-CD2 4.22Å; L62-F66 HydrophobicContact CG-CE2 3.71Å; L62-F66 HydrophobicContact CG-CZ 4.32Å; L62-F66 WeakPolarHBondContact O-CD2 3.32Å; L62-F66 PolarHBondContact O-N 3.37Å; L62-F66 VanDerWaalsContact O-N 3.08Å; E63-F66 PolarHBondContact O-N 3.33Å; E64-F66 PolarHBondContact O-N 3.2Å; F66-G70 CarbonylContact O-C 3.45Å; F66-G70 WeakPolarHBondContact O-CA 3.3Å; F66-G70 PolarHBondContact O-N 3.35Å; F66-Q71 VanDerWaalsContact C-NE2 3.28Å; F66-Q71 PolarHBondContact O-NE2 2.81Å; F66-V72 HydrophobicContact CE1-CG2 4.28Å; F66-Y77 HydrophobicContact CD1-CD2 4.42Å; F66-Y77 HydrophobicContact CD1-CE1 4.35Å; F66-Y77 AromaticContact CD1-CE2 3.83Å; F66-Y77 HydrophobicContact CD1-CE2 3.83Å; F66-Y77 AromaticContact CD1-CZ 3.8Å; F66-Y77 HydrophobicContact CE1-CD2 4.09Å; F66-Y77 AromaticContact CE1-CE2 3.98Å; F66-Y77 HydrophobicContact CE1-CE2 3.98Å; F66-Y77 HydrophobicContact CE1-CG 4.39Å; F66-F79 HydrophobicContact CE1-CE2 4.25Å; F66-F79 AromaticContact CE1-CZ 3.81Å; F66-F79 HydrophobicContact CE1-CZ 3.81Å; F66-F79 HydrophobicContact CZ-CE2 4.34Å; F66-F79 AromaticContact CZ-CZ 3.85Å; F66-F79 HydrophobicContact CZ-CZ 3.85Å; F66-R96 HydrophobicContact CE2-CG 4.31Å; F66-L97 HydrophobicContact CZ-CD2 4.33Å; F66-L100 HydrophobicContact CE2-CD1 3.94Å; F66-L100 HydrophobicContact CZ-CD1 3.75Å
67K97.5Very high98.2Very high130 Ų13037.3 Ų37.357%0.56519%0.192SC*.Hα-helixtrans-67.6-39171.9-70.3170.8-167.6171.40111.5E63 E64 L65E63-K67 WeakPolarHBondContact O-CG 3.2Å; E63-K67 PolarHBondContact O-N 3.24Å; E64-K67 WeakPolarHBondContact O-CB 3.31Å; E64-K67 PolarHBondContact O-N 3.48Å; E64-K67 VanDerWaalsContact O-N 3.17Å; E64-K67 IonicContact OE1-NZ 3.91Å; E64-K67 PolarHBondContact OE1-NZ 3Å; E64-K67 IonicContact OE2-NZ 3.78Å; L65-K67 VanDerWaalsContact C-N 3.32Å; L65-K67 PolarHBondContact O-N 2.85Å
68L98.1Very high98.2Very high65 Ų6537.3 Ų37.334%0.3419%0.192SC..Hα-helixtrans-73-50.4179.9-178.367.5000112.6E64 L65 I272 K284 F286E64-L68 PolarHBondContact O-N 2.78Å; L65-L68 PolarHBondContact O-N 3.26Å; L68-I272 HydrophobicContact CB-CD1 4.37Å; L68-I272 HydrophobicContact CD2-CD1 3.92Å; L68-I272 HydrophobicContact CD2-CG1 3.98Å; L68-I272 HydrophobicContact CG-CD1 3.87Å; L68-I272 HydrophobicContact CG-CG1 4.46Å; L68-K284 HydrophobicContact CD1-CB 4.46Å; L68-K284 HydrophobicContact CD2-CB 3.9Å; L68-K284 HydrophobicContact CG-CB 4.3Å; L68-F286 HydrophobicContact CD2-CB 4.1Å; L68-F286 HydrophobicContact CD2-CD1 3.63Å; L68-F286 HydrophobicContact CD2-CE1 4.47Å; L68-F286 HydrophobicContact CD2-CG 4.19Å
69G98.2Very high98.3Very high11 Ų1137.1 Ų37.111%0.11319%0.191CC..Hα-helixtrans-82.5-24-174.900000114.4L65 Y77L65-G69 PolarHBondContact O-N 3.49Å; G69-Y77 WeakPolarHBondContact CA-OH 3.07Å
70G98.1Very high98.3Very high21 Ų2136.8 Ų36.822%0.21619%0.19CC..  trans115.1149.4-177.800000113.5F66 T75 Y77F66-G70 CarbonylContact O-C 3.45Å; F66-G70 WeakPolarHBondContact O-CA 3.3Å; F66-G70 PolarHBondContact O-N 3.35Å; G70-T75 WeakPolarHBondContact CA-OG1 3.47Å; G70-Y77 PolarHBondContact N-OH 2.89Å; G70-Y77 VanDerWaalsContact N-OH 3.13Å; G70-Y77 WeakPolarHBondContact O-CE2 3.4Å; G70-Y77 PolarHBondContact O-OH 2.86Å
71Q97.9Very high98.4Very high84 Ų8433.7 Ų33.739%0.39318%0.176SC..  trans-79139.5-173.2-62.7-66-45.200112.2F66 N74 T75F66-Q71 VanDerWaalsContact C-NE2 3.28Å; F66-Q71 PolarHBondContact O-NE2 2.81Å; Q71-N74 WeakPolarHBondContact O-CA 3.36Å; Q71-N74 WeakPolarHBondContact O-CB 3.33Å; Q71-N74 PolarHBondContact O-N 2.73Å; Q71-T75 PolarHBondContact O-N 2.93Å
72V98.3Very high98.4Very high20 Ų2033.6 Ų33.612%0.12118%0.176CC..THydrogen-bonded Turntrans-69.2135.5168.1-176.60000108.6F66 Y77 L100 Y104 Q107 I108F66-V72 HydrophobicContact CE1-CG2 4.28Å; V72-Y77 HydrophobicContact CG2-CD2 3.79Å; V72-Y77 HydrophobicContact CG2-CE2 3.86Å; V72-L100 HydrophobicContact CB-CD2 4.07Å; V72-L100 HydrophobicContact CG1-CD2 4.05Å; V72-L100 HydrophobicContact CG2-CD1 4.36Å; V72-Y104 HydrophobicContact CG1-CD2 3.54Å; V72-Y104 HydrophobicContact CG1-CE2 4.2Å; V72-Y104 HydrophobicContact CG1-CG 3.99Å; V72-Q107 HydrophobicContact CG1-CB 4.12Å; V72-I108 HydrophobicContact CG1-CG1 4.31Å; V72-I108 HydrophobicContact CG2-CD1 3.66Å; V72-I108 HydrophobicContact CG2-CG1 4.3Å
73P97.8Very high98.4Very high58 Ų5833.6 Ų33.638%0.37718%0.176SC..THydrogen-bonded Turncis-93.76.512.636.8-37.1000116.1T75 Y104 Q107P73-T75 PolarHBondContact O-N 3.03Å; P73-Y104 HydrophobicContact CB-CD1 3.63Å; P73-Y104 HydrophobicContact CB-CD2 4.47Å; P73-Y104 HydrophobicContact CB-CE1 3.71Å; P73-Y104 HydrophobicContact CB-CG 4.02Å; P73-Y104 HydrophobicContact CG-CD1 4.26Å; P73-Y104 HydrophobicContact CG-CE1 3.8Å; P73-Q107 HydrophobicContact CB-CG 4.21Å; P73-Q107 WeakPolarHBondContact O-CG 3.3Å
74N98.2Very high98.4Very high146 Ų14632.5 Ų32.578%0.78117%0.171SC*.THydrogen-bonded Turntrans-73.4-16.8-176.6-55.7-54.7000113Q71Q71-N74 WeakPolarHBondContact O-CA 3.36Å; Q71-N74 WeakPolarHBondContact O-CB 3.33Å; Q71-N74 PolarHBondContact O-N 2.73Å
75T98.5Very high98.5Very high26 Ų2629.4 Ų29.416%0.1616%0.156CC..SBendtrans-125.8139.4-180-50.80000109.8G70 Q71 P73 Y77G70-T75 WeakPolarHBondContact CA-OG1 3.47Å; Q71-T75 PolarHBondContact O-N 2.93Å; P73-T75 PolarHBondContact O-N 3.03Å; T75-Y77 HydrophobicContact CG2-CD2 4.16Å; T75-Y77 HydrophobicContact CG2-CE1 4.33Å; T75-Y77 HydrophobicContact CG2-CE2 3.52Å
76R98.7Very high98.4Very high55 Ų5533.7 Ų33.721%0.20817%0.173CC..  trans-98.3137.8176-61.8-179.667.2-153.7-3109.8N46 L49 T50 E106 Q107 F109N46-R76 PolarHBondContact O-NH1 2.86Å; L49-R76 CarbonylContact C-O 3.47Å; L49-R76 VanDerWaalsContact CA-O 3.3Å; L49-R76 WeakPolarHBondContact CA-O 3.32Å; L49-R76 HydrophobicContact CB-CB 3.89Å; T50-R76 PolarHBondContact N-O 2.6Å; R76-E106 PolarHBondContact NE-O 3.27Å; R76-Q107 CarbonylContact C-O 3.57Å; R76-Q107 VanDerWaalsContact CA-O 3.29Å; R76-Q107 WeakPolarHBondContact CA-O 3.46Å; R76-Q107 HydrophobicContact CG-CB 4.47Å; R76-Q107 HydrophobicContact CG-CG 4.2Å; R76-F109 VanDerWaalsContact NH2-CE2 3.29Å
77Y98.9Very high98.3Very high0 Ų034.1 Ų34.10%018%0.177CC..EExtended strand (participates in β ladder)trans-128141.7-176.4-70.6-86.6000112.4T50 C52 L65 F66 G69 G70 V72 T75 F79 Q107 I108 F109T50-Y77 HydrophobicContact CG2-CD1 3.93Å; T50-Y77 HydrophobicContact CG2-CE1 3.72Å; T50-Y77 CarbonylContact O-C 3.18Å; T50-Y77 VanDerWaalsContact O-CA 3.26Å; T50-Y77 WeakPolarHBondContact O-CA 3.25Å; C52-Y77 VanDerWaalsContact SG-CD1 3.58Å; L65-Y77 HydrophobicContact CD2-CD1 4.36Å; L65-Y77 HydrophobicContact CD2-CE1 3.83Å; F66-Y77 HydrophobicContact CD1-CD2 4.42Å; F66-Y77 HydrophobicContact CD1-CE1 4.35Å; F66-Y77 AromaticContact CD1-CE2 3.83Å; F66-Y77 HydrophobicContact CD1-CE2 3.83Å; F66-Y77 AromaticContact CD1-CZ 3.8Å; F66-Y77 HydrophobicContact CE1-CD2 4.09Å; F66-Y77 AromaticContact CE1-CE2 3.98Å; F66-Y77 HydrophobicContact CE1-CE2 3.98Å; F66-Y77 HydrophobicContact CE1-CG 4.39Å; G69-Y77 WeakPolarHBondContact CA-OH 3.07Å; G70-Y77 PolarHBondContact N-OH 2.89Å; G70-Y77 VanDerWaalsContact N-OH 3.13Å; G70-Y77 WeakPolarHBondContact O-CE2 3.4Å; G70-Y77 PolarHBondContact O-OH 2.86Å; V72-Y77 HydrophobicContact CG2-CD2 3.79Å; V72-Y77 HydrophobicContact CG2-CE2 3.86Å; T75-Y77 HydrophobicContact CG2-CD2 4.16Å; T75-Y77 HydrophobicContact CG2-CE1 4.33Å; T75-Y77 HydrophobicContact CG2-CE2 3.52Å; Y77-F79 HydrophobicContact CD1-CE2 4.36Å; Y77-F79 HydrophobicContact CD1-CZ 4.46Å; Y77-F79 HydrophobicContact CG-CE2 4.08Å; Y77-Q107 PolarHBondContact N-O 3Å; Y77-I108 HydrophobicContact CD2-CD1 4.04Å; Y77-I108 HydrophobicContact CG-CD1 4.34Å; Y77-F109 WeakPolarHBondContact O-CD2 3.26Å; Y77-F109 PolarHBondContact O-N 3.44Å
78V98.9Very high98.2Very high0 Ų033.9 Ų33.90%017%0.172CC..EExtended strand (participates in β ladder)trans-118.2112.1167.2-176.10000107.7L45 L49 T50 I51 C52 L80 F109 L111 A154L45-V78 HydrophobicContact CD1-CG2 3.37Å; L49-V78 HydrophobicContact CD1-CG2 4.01Å; L49-V78 HydrophobicContact CD2-CG2 3.94Å; T50-V78 PolarHBondContact O-N 3.45Å; I51-V78 CarbonylContact C-O 3.52Å; I51-V78 WeakPolarHBondContact CA-O 3.19Å; I51-V78 HydrophobicContact CG1-CB 4.42Å; C52-V78 PolarHBondContact N-O 3.31Å; V78-L80 HydrophobicContact CG1-CD2 4.46Å; V78-F109 WeakPolarHBondContact CA-O 3.19Å; V78-F109 HydrophobicContact CG1-CB 4.49Å; V78-F109 HydrophobicContact CG2-CB 4.22Å; V78-F109 HydrophobicContact CG2-CD2 4.25Å; V78-L111 HydrophobicContact CG1-CD1 4.1Å; V78-L111 HydrophobicContact CG1-CG 4.26Å; V78-A154 HydrophobicContact CG1-CB 4.28Å
79F99Very high98.2Very high0 Ų033 Ų330%017%0.167CC..EExtended strand (participates in β ladder)trans-96127.4174.9-70.4-97.1000109.9C52 I55 L62 L65 F66 Y77 Y83 L97 I108 F109 L110 L111C52-F79 HydrophobicContact CB-CD1 3.51Å; C52-F79 HydrophobicContact CB-CE1 3.66Å; C52-F79 HydrophobicContact CB-CG 4.07Å; C52-F79 HydrophobicContact CB-CZ 4.34Å; C52-F79 WeakPolarHBondContact O-CA 3.46Å; I55-F79 HydrophobicContact CD1-CD1 4.34Å; I55-F79 HydrophobicContact CD1-CE1 4.11Å; I55-F79 HydrophobicContact CG1-CD1 4.16Å; I55-F79 HydrophobicContact CG1-CE1 4.27Å; L62-F79 HydrophobicContact CD1-CE1 3.64Å; L62-F79 HydrophobicContact CD1-CZ 3.84Å; L65-F79 HydrophobicContact CD1-CE1 4.33Å; L65-F79 HydrophobicContact CD2-CE1 4.47Å; L65-F79 HydrophobicContact CD2-CZ 4.26Å; F66-F79 HydrophobicContact CE1-CE2 4.25Å; F66-F79 AromaticContact CE1-CZ 3.81Å; F66-F79 HydrophobicContact CE1-CZ 3.81Å; F66-F79 HydrophobicContact CZ-CE2 4.34Å; F66-F79 AromaticContact CZ-CZ 3.85Å; F66-F79 HydrophobicContact CZ-CZ 3.85Å; Y77-F79 HydrophobicContact CD1-CE2 4.36Å; Y77-F79 HydrophobicContact CD1-CZ 4.46Å; Y77-F79 HydrophobicContact CG-CE2 4.08Å; F79-Y83 HydrophobicContact CB-CE1 3.63Å; F79-Y83 HydrophobicContact CG-CE1 4.49Å; F79-Y83 PolarHBondContact O-OH 2.91Å; F79-Y83 VanDerWaalsContact O-OH 3.06Å; F79-L97 HydrophobicContact CD1-CD2 4.29Å; F79-L97 HydrophobicContact CD2-CD2 4.08Å; F79-L97 HydrophobicContact CE1-CD2 4Å; F79-L97 HydrophobicContact CE2-CD2 3.75Å; F79-L97 HydrophobicContact CG-CD2 4.34Å; F79-L97 HydrophobicContact CZ-CD2 3.72Å; F79-I108 HydrophobicContact CE2-CD1 4.22Å; F79-F109 PolarHBondContact N-O 3.01Å; F79-L110 HydrophobicContact CB-CD2 3.85Å; F79-L110 HydrophobicContact CD2-CD2 3.77Å; F79-L110 HydrophobicContact CG-CD2 4.03Å; F79-L111 WeakPolarHBondContact O-CB 3.31Å; F79-L111 PolarHBondContact O-N 3.08Å
80L98.9Very high98.2Very high0 Ų032.5 Ų32.50%016%0.161CC..  trans-80-17.9-168.3-64178.6000114.5I51 C52 V78 L111 C162 H164 A237I51-L80 HydrophobicContact CG2-CD1 3.68Å; I51-L80 HydrophobicContact CG2-CD2 3.86Å; I51-L80 HydrophobicContact CG2-CG 3.78Å; C52-L80 WeakPolarHBondContact O-CB 3.08Å; C52-L80 VanDerWaalsContact O-CG 3.29Å; C52-L80 WeakPolarHBondContact O-CG 3.42Å; C52-L80 PolarHBondContact O-N 2.83Å; V78-L80 HydrophobicContact CG1-CD2 4.46Å; L80-L111 HydrophobicContact CD2-CD1 3.86Å; L80-C162 HydrophobicContact CD2-CB 3.71Å; L80-H164 VanDerWaalsContact O-CA 3.23Å; L80-H164 WeakPolarHBondContact O-CA 3.32Å; L80-H164 WeakPolarHBondContact O-CB 3.42Å; L80-A237 HydrophobicContact CB-CB 3.86Å; L80-A237 HydrophobicContact CD1-CB 3.87Å
81G98.8Very high98.2Very high0 Ų031.5 Ų31.50%015%0.151CC..SBendtrans140.8-173.5179.200000112Y83 L111G81-Y83 WeakPolarHBondContact O-CE1 3.43Å; G81-L111 WeakPolarHBondContact CA-O 3.31Å
82D98.9Very high98.3Very high2 Ų228.4 Ų28.41%0.01114%0.137CC..  trans54.863.3175.6-71.94.8000113.3D54 I55 H56 G113 N114 H115 E116 H164D54-D82 HydrophobicContact CB-CB 4.16Å; I55-D82 PolarHBondContact N-O 3.25Å; H56-D82 IonicContact CE1-OD2 3.45Å; H56-D82 PolarHBondContact N-O 2.9Å; H56-D82 IonicContact NE2-OD2 3.76Å; D82-G113 WeakPolarHBondContact OD1-CA 3.47Å; D82-N114 PolarHBondContact OD1-N 3.27Å; D82-N114 VanDerWaalsContact OD1-N 3.11Å; D82-N114 PolarHBondContact OD1-OD1 2.91Å; D82-N114 VanDerWaalsContact OD1-OD1 3.11Å; D82-N114 PolarHBondContact OD2-OD1 3.32Å; D82-H115 HydrophobicContact CB-CB 4.37Å; D82-H115 WeakPolarHBondContact OD1-CB 3.35Å; D82-H115 IonicContact OD1-CD2 3.07Å; D82-H115 PolarHBondContact OD1-CD2 2.98Å; D82-H115 IonicContact OD1-CG 3.1Å; D82-H115 PolarHBondContact OD1-N 3.49Å; D82-H115 IonicContact OD2-CD2 2.66Å; D82-H115 PolarHBondContact OD2-CD2 3.29Å; D82-E116 WeakPolarHBondContact CA-OE2 3.31Å; D82-E116 PolarHBondContact N-OE2 2.66Å; D82-H164 IonicContact OD1-CD2 3.72Å; D82-H164 IonicContact OD1-CE1 2.64Å; D82-H164 IonicContact OD1-NE2 3.98Å; D82-H164 PolarHBondContact OD1-NE2 3.15Å; D82-H164 VanDerWaalsContact OD1-NE2 3.08Å; D82-H164 IonicContact OD2-CE1 3.35Å; D82-H164 PolarHBondContact OD2-CE1 3.15Å; D82-H164 IonicContact OD2-NE2 3.43Å; D82-H164 PolarHBondContact OD2-NE2 2.86Å
83Y98.9Very high98.3Very high0 Ų027.5 Ų27.50%013%0.131CC..  trans-85.4-32.1-179.4-48.5-39.4000112.4G57 F79 G81 T93 I94 L97 L110 L111 E116 M150G57-Y83 PolarHBondContact N-O 3.09Å; F79-Y83 HydrophobicContact CB-CE1 3.63Å; F79-Y83 HydrophobicContact CG-CE1 4.49Å; F79-Y83 PolarHBondContact O-OH 2.91Å; F79-Y83 VanDerWaalsContact O-OH 3.06Å; G81-Y83 WeakPolarHBondContact O-CE1 3.43Å; Y83-T93 VanDerWaalsContact O-CG2 3.28Å; Y83-T93 WeakPolarHBondContact O-CG2 3.23Å; Y83-I94 HydrophobicContact CD2-CD1 3.87Å; Y83-I94 HydrophobicContact CG-CD1 4.45Å; Y83-L97 HydrophobicContact CD1-CD1 3.74Å; Y83-L97 HydrophobicContact CD2-CD1 4.35Å; Y83-L97 HydrophobicContact CE1-CD1 4.29Å; Y83-L97 HydrophobicContact CG-CD1 3.78Å; Y83-L110 HydrophobicContact CE2-CB 4.14Å; Y83-L110 VanDerWaalsContact OH-C 3.31Å; Y83-L110 WeakPolarHBondContact OH-CA 3.3Å; Y83-L110 WeakPolarHBondContact OH-CB 3.28Å; Y83-L111 PolarHBondContact OH-N 2.83Å; Y83-L111 PolarHBondContact OH-O 3.18Å; Y83-E116 HydrophobicContact CD2-CG 4.05Å; Y83-E116 HydrophobicContact CE2-CG 4.41Å; Y83-E116 PolarHBondContact N-OE1 2.84Å; Y83-M150 HydrophobicContact CD2-CE 4.38Å; Y83-M150 HydrophobicContact CE2-CE 4.06Å; Y83-M150 HydrophobicContact CE2-SD 4.15Å
84V98.8Very high98.3Very high0 Ų024.9 Ų24.90%011%0.114CC..SBendtrans-107.3177.7-173.7-58.90000111.3H56 I94 H115 F126 F147H56-V84 PolarHBondContact ND1-O 3.3Å; V84-I94 HydrophobicContact CG1-CB 4.25Å; V84-H115 HydrophobicContact CG2-CB 4.29Å; V84-F126 HydrophobicContact CB-CB 4Å; V84-F126 HydrophobicContact CB-CD1 3.81Å; V84-F126 HydrophobicContact CB-CD2 4.25Å; V84-F126 HydrophobicContact CB-CE1 4.36Å; V84-F126 HydrophobicContact CB-CG 3.77Å; V84-F126 HydrophobicContact CG1-CD1 3.88Å; V84-F126 HydrophobicContact CG1-CD2 4.23Å; V84-F126 HydrophobicContact CG1-CE1 3.91Å; V84-F126 HydrophobicContact CG1-CE2 4.23Å; V84-F126 HydrophobicContact CG1-CG 4.07Å; V84-F126 HydrophobicContact CG1-CZ 4.08Å; V84-F126 HydrophobicContact CG2-CB 4.22Å; V84-F126 HydrophobicContact CG2-CD1 3.79Å; V84-F126 HydrophobicContact CG2-CE1 4.45Å; V84-F126 HydrophobicContact CG2-CG 4.13Å; V84-F147 HydrophobicContact CG1-CZ 4.35Å; V84-F147 HydrophobicContact CG2-CZ 4.42Å
85D98.5Very high98.4Very high0 Ų018.1 Ų18.10%08%0.078CC..SBendtrans66.6166.4-179.4-64.9-44.2000115H56 G87 S90 H115 S121 Y124 G125 F126H56-D85 CarbonylContact C-O 3.47Å; H56-D85 VanDerWaalsContact CA-O 3.24Å; H56-D85 WeakPolarHBondContact CA-O 3.42Å; H56-D85 WeakPolarHBondContact CB-O 3.34Å; D85-G87 PolarHBondContact O-N 2.84Å; D85-S90 PolarHBondContact N-OG 3.4Å; D85-S90 VanDerWaalsContact N-OG 3.08Å; D85-H115 VanDerWaalsContact CB-ND1 3.32Å; D85-H115 WeakPolarHBondContact CB-ND1 3.36Å; D85-H115 IonicContact OD2-CE1 3.03Å; D85-H115 IonicContact OD2-CG 2.73Å; D85-H115 IonicContact OD2-ND1 3.82Å; D85-H115 PolarHBondContact OD2-ND1 3.25Å; D85-S121 VanDerWaalsContact OD2-CA 3.28Å; D85-S121 WeakPolarHBondContact OD2-CA 3.49Å; D85-Y124 WeakPolarHBondContact CB-O 3.43Å; D85-G125 PolarHBondContact OD1-N 3.47Å; D85-F126 WeakPolarHBondContact OD1-CB 3.43Å; D85-F126 PolarHBondContact OD1-N 3.26Å
86R97.3Very high98.4Very high90 Ų9017.7 Ų17.734%0.347%0.073SC..SBendtrans67.7-46.2176.5-48.5-71.7-168.51240.3114.7H56 Y124 Y262H56-R86 HydrophobicContact CB-CB 4.12Å; H56-R86 HydrophobicContact CB-CG 4.48Å; R86-Y124 PolarHBondContact N-O 2.92Å; R86-Y262 HydrophobicContact CB-CE2 3.94Å; R86-Y262 HydrophobicContact CG-CE2 4.03Å; R86-Y262 WeakPolarHBondContact CG-OH 3.37Å; R86-Y262 PolarHBondContact NE-OH 2.82Å; R86-Y262 PolarHBondContact NH1-OH 2.89Å
87G96.4Very high98.4Very high9 Ų915.1 Ų15.19%0.0936%0.063CC..SBendtrans-81175.8171.700000113.1H56 D85 Y264H56-G87 WeakPolarHBondContact O-CA 3.43Å; H56-G87 PolarHBondContact O-N 3.28Å; D85-G87 PolarHBondContact O-N 2.84Å; G87-Y264 VanDerWaalsContact CA-OH 3.25Å; G87-Y264 WeakPolarHBondContact CA-OH 3.43Å
88R95.8Very high98.4Very high124 Ų12415.2 Ų15.247%0.4686%0.064SC..SBendtrans-97.2-6.8-175.4-61.3173.9-178.4-179.11114K133 Y264 A295R88-K133 PolarHBondContact O-NZ 3.16Å; R88-K133 VanDerWaalsContact O-NZ 3.08Å; R88-Y264 HydrophobicContact CG-CE2 3.86Å; R88-Y264 PolarHBondContact N-OH 2.78Å; R88-A295 VanDerWaalsContact NH1-CB 3.3Å
89H97.7Very high98.4Very high47 Ų4715.2 Ų15.222%0.2186%0.064CC..  trans-129.334.7-169.5-52.5-78.7000112.4G57 F60 V91 Q92 T93G57-H89 CarbonylContact O-C 3.59Å; G57-H89 WeakPolarHBondContact O-CA 3.42Å; G57-H89 VanDerWaalsContact O-CB 3.3Å; G57-H89 WeakPolarHBondContact O-CB 3.22Å; G57-H89 PolarHBondContact O-N 3.07Å; F60-H89 AromaticContact CE2-CE1 3.97Å; F60-H89 AromaticContact CE2-NE2 3.68Å; H89-V91 VanDerWaalsContact C-N 3.28Å; H89-V91 PolarHBondContact O-N 3.03Å; H89-Q92 HydrophobicContact CB-CB 4.2Å; H89-Q92 PolarHBondContact O-N 3.45Å; H89-Q92 VanDerWaalsContact O-N 3.14Å; H89-T93 WeakPolarHBondContact O-CB 3.29Å; H89-T93 PolarHBondContact O-N 3.43Å; H89-T93 PolarHBondContact O-OG1 3.1Å; H89-T93 VanDerWaalsContact O-OG1 3.12Å
90S98.7Very high98.4Very high0 Ų015.5 Ų15.50%07%0.066CC..Hα-helixtrans-53.4-43.1176.4-50.70000112.6D85 T93 I94 F126 E129D85-S90 PolarHBondContact N-OG 3.4Å; D85-S90 VanDerWaalsContact N-OG 3.08Å; S90-T93 PolarHBondContact O-N 3.33Å; S90-I94 WeakPolarHBondContact O-CG2 3.26Å; S90-I94 PolarHBondContact O-N 3.16Å; S90-F126 VanDerWaalsContact CB-CD2 3.46Å; S90-E129 WeakPolarHBondContact CB-OE2 3.38Å; S90-E129 VanDerWaalsContact N-CD 3.26Å; S90-E129 PolarHBondContact N-OE1 3.06Å; S90-E129 PolarHBondContact N-OE2 2.86Å; S90-E129 PolarHBondContact OG-OE2 2.83Å
91V98.5Very high98.4Very high0 Ų015.5 Ų15.50%07%0.066CC..Hα-helixtrans-61.2-47.7177.1174.10000110.5L19 H89 I94 T95 F126 E129 K133 F134 L139L19-V91 HydrophobicContact CD2-CB 4.23Å; L19-V91 HydrophobicContact CD2-CG1 3.68Å; H89-V91 VanDerWaalsContact C-N 3.28Å; H89-V91 PolarHBondContact O-N 3.03Å; V91-I94 WeakPolarHBondContact O-CG2 3.21Å; V91-T95 WeakPolarHBondContact O-CB 3.32Å; V91-T95 PolarHBondContact O-N 2.91Å; V91-T95 PolarHBondContact O-OG1 3.1Å; V91-F126 HydrophobicContact CG2-CE2 3.99Å; V91-E129 HydrophobicContact CG2-CG 4.38Å; V91-E129 WeakPolarHBondContact CG2-OE1 3.49Å; V91-E129 PolarHBondContact N-OE1 2.85Å; V91-K133 HydrophobicContact CB-CD 4.32Å; V91-K133 HydrophobicContact CG2-CD 4.17Å; V91-F134 HydrophobicContact CG1-CE2 3.82Å; V91-F134 HydrophobicContact CG1-CZ 3.98Å; V91-F134 HydrophobicContact CG2-CE2 4.1Å; V91-L139 HydrophobicContact CG1-CD2 4Å; V91-L139 HydrophobicContact CG2-CD2 4.11Å
92Q98.4Very high98.4Very high20 Ų2016.5 Ų16.59%0.0937%0.072CC..Hα-helixtrans-63.9-44.6177.4-70.988.6-24.700111.4G17 L19 Y59 H89 T95 R96G17-Q92 VanDerWaalsContact O-CG 3.28Å; G17-Q92 WeakPolarHBondContact O-CG 3.3Å; L19-Q92 HydrophobicContact CD2-CG 4.19Å; Y59-Q92 HydrophobicContact CD2-CB 3.65Å; Y59-Q92 HydrophobicContact CE2-CB 4.36Å; Y59-Q92 HydrophobicContact CG-CB 3.8Å; H89-Q92 HydrophobicContact CB-CB 4.2Å; H89-Q92 PolarHBondContact O-N 3.45Å; H89-Q92 VanDerWaalsContact O-N 3.14Å; Q92-T95 PolarHBondContact O-N 2.96Å; Q92-R96 VanDerWaalsContact O-CB 3.29Å; Q92-R96 WeakPolarHBondContact O-CB 3.44Å; Q92-R96 PolarHBondContact O-N 2.8Å
93T98.8Very high98.4Very high0 Ų021.4 Ų21.40%09%0.09CC..Hα-helixtrans-57.7-54.3178.5-65.80000111.4I55 Y59 L62 Y83 H89 S90 T95 R96 L97I55-T93 HydrophobicContact CB-CG2 4.25Å; I55-T93 HydrophobicContact CG2-CG2 3.57Å; Y59-T93 WeakPolarHBondContact CA-OG1 3.23Å; Y59-T93 PolarHBondContact N-OG1 3.49Å; L62-T93 HydrophobicContact CD2-CG2 4.18Å; Y83-T93 VanDerWaalsContact O-CG2 3.28Å; Y83-T93 WeakPolarHBondContact O-CG2 3.23Å; H89-T93 WeakPolarHBondContact O-CB 3.29Å; H89-T93 PolarHBondContact O-N 3.43Å; H89-T93 PolarHBondContact O-OG1 3.1Å; H89-T93 VanDerWaalsContact O-OG1 3.12Å; S90-T93 PolarHBondContact O-N 3.33Å; T93-T95 VanDerWaalsContact C-N 3.32Å; T93-T95 PolarHBondContact O-N 2.66Å; T93-R96 PolarHBondContact O-N 3.47Å; T93-L97 HydrophobicContact CG2-CD1 4.2Å; T93-L97 WeakPolarHBondContact O-CG 3.1Å; T93-L97 PolarHBondContact O-N 3.35Å
94I98.7Very high98.3Very high4 Ų423.9 Ų23.92%0.02110%0.1CC..Hα-helixtrans-66-38-179.1-163.761.9000111Y83 V84 S90 V91 R96 L97 L98 F126 F147 M150Y83-I94 HydrophobicContact CD2-CD1 3.87Å; Y83-I94 HydrophobicContact CG-CD1 4.45Å; V84-I94 HydrophobicContact CG1-CB 4.25Å; S90-I94 WeakPolarHBondContact O-CG2 3.26Å; S90-I94 PolarHBondContact O-N 3.16Å; V91-I94 WeakPolarHBondContact O-CG2 3.21Å; I94-R96 VanDerWaalsContact C-N 3.34Å; I94-R96 PolarHBondContact O-N 2.99Å; I94-L97 PolarHBondContact O-N 2.86Å; I94-L98 HydrophobicContact CD1-CD1 4.36Å; I94-L98 HydrophobicContact CD1-CD2 4.48Å; I94-L98 HydrophobicContact CD1-CG 4.18Å; I94-L98 HydrophobicContact CG1-CD1 3.81Å; I94-L98 HydrophobicContact CG1-CG 4.06Å; I94-L98 WeakPolarHBondContact O-CB 3.13Å; I94-L98 WeakPolarHBondContact O-CG 3.37Å; I94-L98 PolarHBondContact O-N 2.8Å; I94-F126 HydrophobicContact CG2-CZ 4.42Å; I94-F147 HydrophobicContact CD1-CE1 4.25Å; I94-M150 HydrophobicContact CD1-CE 4.33Å
95T98.7Very high98.3Very high4 Ų425.9 Ų25.93%0.02511%0.113CC..Hα-helixtrans-60.2-44.4175.4-59.90000111.6A14 L20 L25 V91 Q92 T93 L98 T99A14-T95 HydrophobicContact CB-CG2 3.94Å; L20-T95 HydrophobicContact CD1-CG2 3.47Å; L20-T95 VanDerWaalsContact CD1-CG2 3.47Å; L20-T95 HydrophobicContact CG-CG2 3.82Å; L25-T95 HydrophobicContact CD2-CG2 3.74Å; L25-T95 WeakPolarHBondContact CD2-OG1 3.38Å; V91-T95 WeakPolarHBondContact O-CB 3.32Å; V91-T95 PolarHBondContact O-N 2.91Å; V91-T95 PolarHBondContact O-OG1 3.1Å; Q92-T95 PolarHBondContact O-N 2.96Å; T93-T95 VanDerWaalsContact C-N 3.32Å; T93-T95 PolarHBondContact O-N 2.66Å; T95-L98 PolarHBondContact O-N 2.92Å; T95-T99 HydrophobicContact CG2-CG2 4.3Å; T95-T99 WeakPolarHBondContact O-CB 3.49Å; T95-T99 VanDerWaalsContact O-CG2 3.29Å; T95-T99 WeakPolarHBondContact O-CG2 3.19Å; T95-T99 PolarHBondContact O-N 3.27Å; T95-T99 PolarHBondContact O-OG1 2.95Å
96R98.8Very high98.3Very high17 Ų1731.5 Ų31.56%0.06414%0.139CC..Hα-helixtrans-61.7-47.8178.8-178.158.3171.7139.3-0.3111.9Y59 L62 E63 F66 Q92 T93 I94 T99 L100Y59-R96 HydrophobicContact CD2-CB 4.31Å; Y59-R96 HydrophobicContact CE2-CB 3.96Å; Y59-R96 HydrophobicContact CE2-CG 4.06Å; L62-R96 HydrophobicContact CD2-CB 4.28Å; L62-R96 HydrophobicContact CD2-CG 4.02Å; E63-R96 WeakPolarHBondContact OE1-CD 3.24Å; E63-R96 WeakPolarHBondContact OE1-CG 3.24Å; E63-R96 IonicContact OE1-CZ 3.54Å; E63-R96 IonicContact OE1-NE 3.18Å; E63-R96 PolarHBondContact OE1-NE 3.43Å; E63-R96 IonicContact OE1-NH2 3.85Å; E63-R96 IonicContact OE2-NE 3.75Å; E63-R96 IonicContact OE2-NH2 2.83Å; E63-R96 PolarHBondContact OE2-NH2 3.15Å; F66-R96 HydrophobicContact CE2-CG 4.31Å; Q92-R96 VanDerWaalsContact O-CB 3.29Å; Q92-R96 WeakPolarHBondContact O-CB 3.44Å; Q92-R96 PolarHBondContact O-N 2.8Å; T93-R96 PolarHBondContact O-N 3.47Å; I94-R96 VanDerWaalsContact C-N 3.34Å; I94-R96 PolarHBondContact O-N 2.99Å; R96-T99 PolarHBondContact O-OG1 2.98Å; R96-T99 VanDerWaalsContact O-OG1 3.06Å; R96-L100 WeakPolarHBondContact O-CG 3.45Å; R96-L100 PolarHBondContact O-N 3.09Å
97L98.9Very high98.4Very high0 Ų029.5 Ų29.50%013%0.134CC..Hα-helixtrans-65.9-43.7178.7-67.1173.8000112L62 F66 F79 Y83 T93 I94 L100 K101 L110L62-L97 HydrophobicContact CD1-CD2 4.26Å; L62-L97 HydrophobicContact CD2-CD2 4.08Å; L62-L97 HydrophobicContact CD2-CG 4.1Å; F66-L97 HydrophobicContact CZ-CD2 4.33Å; F79-L97 HydrophobicContact CD1-CD2 4.29Å; F79-L97 HydrophobicContact CD2-CD2 4.08Å; F79-L97 HydrophobicContact CE1-CD2 4Å; F79-L97 HydrophobicContact CE2-CD2 3.75Å; F79-L97 HydrophobicContact CG-CD2 4.34Å; F79-L97 HydrophobicContact CZ-CD2 3.72Å; Y83-L97 HydrophobicContact CD1-CD1 3.74Å; Y83-L97 HydrophobicContact CD2-CD1 4.35Å; Y83-L97 HydrophobicContact CE1-CD1 4.29Å; Y83-L97 HydrophobicContact CG-CD1 3.78Å; T93-L97 HydrophobicContact CG2-CD1 4.2Å; T93-L97 WeakPolarHBondContact O-CG 3.1Å; T93-L97 PolarHBondContact O-N 3.35Å; I94-L97 PolarHBondContact O-N 2.86Å; L97-L100 PolarHBondContact O-N 3.11Å; L97-K101 WeakPolarHBondContact O-CB 3.49Å; L97-K101 PolarHBondContact O-N 2.82Å; L97-L110 HydrophobicContact CB-CD1 3.98Å; L97-L110 HydrophobicContact CB-CD2 4.19Å; L97-L110 HydrophobicContact CD1-CD2 4.34Å; L97-L110 HydrophobicContact CD2-CD2 4.19Å; L97-L110 HydrophobicContact CG-CD2 4.47Å
98L98.9Very high98.5Very high3 Ų329.1 Ų29.12%0.01613%0.129CC..Hα-helixtrans-70.2-40-178-66.5179.4000113.2V28 I29 A32 F36 I94 T95 L100 K101 V102 L110 L146V28-L98 HydrophobicContact CG1-CB 3.8Å; I29-L98 HydrophobicContact CG1-CD1 4.12Å; A32-L98 HydrophobicContact CB-CD2 3.96Å; F36-L98 HydrophobicContact CE2-CD2 4.17Å; I94-L98 HydrophobicContact CD1-CD1 4.36Å; I94-L98 HydrophobicContact CD1-CD2 4.48Å; I94-L98 HydrophobicContact CD1-CG 4.18Å; I94-L98 HydrophobicContact CG1-CD1 3.81Å; I94-L98 HydrophobicContact CG1-CG 4.06Å; I94-L98 WeakPolarHBondContact O-CB 3.13Å; I94-L98 WeakPolarHBondContact O-CG 3.37Å; I94-L98 PolarHBondContact O-N 2.8Å; T95-L98 PolarHBondContact O-N 2.92Å; L98-L100 VanDerWaalsContact C-N 3.32Å; L98-L100 PolarHBondContact O-N 3.45Å; L98-K101 PolarHBondContact O-N 3.16Å; L98-V102 WeakPolarHBondContact O-CB 3.3Å; L98-V102 VanDerWaalsContact O-CG2 3.3Å; L98-V102 WeakPolarHBondContact O-CG2 3.49Å; L98-V102 PolarHBondContact O-N 3.04Å; L98-L110 HydrophobicContact CD2-CD1 4.11Å; L98-L146 HydrophobicContact CD1-CD2 3.32Å; L98-L146 HydrophobicContact CD2-CD2 3.66Å; L98-L146 HydrophobicContact CG-CD2 4.11Å
99T98.8Very high98.6Very high0 Ų023.5 Ų23.50%011%0.108CC..Hα-helixtrans-61.8-42.8175.750.60000111.1C10 L11 A14 L20 V28 T95 R96 R103C10-T99 HydrophobicContact CB-CG2 4.07Å; L11-T99 WeakPolarHBondContact CD2-O 3.16Å; A14-T99 HydrophobicContact CB-CG2 4.21Å; L20-T99 HydrophobicContact CD1-CG2 4.43Å; V28-T99 HydrophobicContact CG1-CG2 4.01Å; V28-T99 HydrophobicContact CG2-CG2 4.02Å; T95-T99 HydrophobicContact CG2-CG2 4.3Å; T95-T99 WeakPolarHBondContact O-CB 3.49Å; T95-T99 VanDerWaalsContact O-CG2 3.29Å; T95-T99 WeakPolarHBondContact O-CG2 3.19Å; T95-T99 PolarHBondContact O-N 3.27Å; T95-T99 PolarHBondContact O-OG1 2.95Å; R96-T99 PolarHBondContact O-OG1 2.98Å; R96-T99 VanDerWaalsContact O-OG1 3.06Å; T99-R103 WeakPolarHBondContact O-CB 3.41Å; T99-R103 PolarHBondContact O-N 3.4Å; T99-R103 VanDerWaalsContact O-N 3.1Å
100L98.9Very high98.7Very high6 Ų621.3 Ų21.33%0.03110%0.098CC..Hα-helixtrans-65.1-43.1173.4-69172.2000112.2L11 F66 V72 R96 L97 L98 V102 R103 Y104 I108L11-L100 HydrophobicContact CD2-CD2 4.03Å; L11-L100 HydrophobicContact CD2-CG 4.46Å; F66-L100 HydrophobicContact CE2-CD1 3.94Å; F66-L100 HydrophobicContact CZ-CD1 3.75Å; V72-L100 HydrophobicContact CB-CD2 4.07Å; V72-L100 HydrophobicContact CG1-CD2 4.05Å; V72-L100 HydrophobicContact CG2-CD1 4.36Å; R96-L100 WeakPolarHBondContact O-CG 3.45Å; R96-L100 PolarHBondContact O-N 3.09Å; L97-L100 PolarHBondContact O-N 3.11Å; L98-L100 VanDerWaalsContact C-N 3.32Å; L98-L100 PolarHBondContact O-N 3.45Å; L100-V102 PolarHBondContact O-N 2.64Å; L100-R103 PolarHBondContact O-N 3.18Å; L100-Y104 HydrophobicContact CD2-CD2 4.2Å; L100-Y104 HydrophobicContact CD2-CE2 4.31Å; L100-Y104 PolarHBondContact O-N 2.92Å; L100-I108 HydrophobicContact CB-CG1 3.77Å
101K98.8Very high98.7Very high0 Ų021.3 Ų21.30%010%0.098CC..Hα-helixtrans-57-47.7176.5176.660.1179.7169.90112.1V35 F36 E39 L97 L98 R103 Y104 P105 I108 L110V35-K101 HydrophobicContact CG1-CD 4.36Å; F36-K101 HydrophobicContact CE1-CD 4.4Å; F36-K101 HydrophobicContact CE1-CG 4.38Å; F36-K101 HydrophobicContact CZ-CG 4.12Å; E39-K101 WeakPolarHBondContact OE1-CE 3.46Å; E39-K101 IonicContact OE1-NZ 3.18Å; E39-K101 PolarHBondContact OE1-NZ 3.49Å; E39-K101 IonicContact OE2-NZ 3.47Å; L97-K101 WeakPolarHBondContact O-CB 3.49Å; L97-K101 PolarHBondContact O-N 2.82Å; L98-K101 PolarHBondContact O-N 3.16Å; K101-R103 VanDerWaalsContact C-N 3.35Å; K101-Y104 CarbonylContact O-C 3.56Å; K101-P105 PolarHBondContact NZ-O 3.02Å; K101-P105 WeakPolarHBondContact O-CA 3.28Å; K101-I108 HydrophobicContact CB-CB 4.45Å; K101-I108 HydrophobicContact CB-CG2 3.94Å; K101-I108 HydrophobicContact CD-CB 4.42Å; K101-I108 HydrophobicContact CD-CG2 4.21Å; K101-I108 WeakPolarHBondContact CD-O 3.5Å; K101-I108 WeakPolarHBondContact CE-O 3.23Å; K101-I108 PolarHBondContact NZ-O 3.44Å; K101-L110 HydrophobicContact CB-CD1 4.09Å; K101-L110 HydrophobicContact CG-CD1 4.36Å
102V98.7Very high98.7Very high21 Ų2121.3 Ų21.313%0.12710%0.098CC..Hα-helixtrans-65.9-40-179.9171.80000111L7 L31 A32 L98 L100L7-V102 HydrophobicContact CD1-CG1 4.15Å; L7-V102 HydrophobicContact CD2-CG1 3.74Å; L31-V102 HydrophobicContact CB-CB 4.47Å; L31-V102 HydrophobicContact CB-CG1 3.68Å; L31-V102 HydrophobicContact CB-CG2 3.85Å; L31-V102 HydrophobicContact CD1-CG1 3.95Å; L31-V102 HydrophobicContact CG-CG1 4.4Å; A32-V102 HydrophobicContact CB-CG2 3.8Å; L98-V102 WeakPolarHBondContact O-CB 3.3Å; L98-V102 VanDerWaalsContact O-CG2 3.3Å; L98-V102 WeakPolarHBondContact O-CG2 3.49Å; L98-V102 PolarHBondContact O-N 3.04Å; L100-V102 PolarHBondContact O-N 2.64Å
103R98.7Very high98.7Very high104 Ų10420.4 Ų20.439%0.3929%0.094SC..Hα-helixtrans-77.6-34.7-176.5-175.963.2-178.978.7-2.6114.1L7 D8 L11 T99 L100 K101L7-R103 HydrophobicContact CD2-CB 4.3Å; D8-R103 IonicContact OD1-NE 3.7Å; L11-R103 HydrophobicContact CD1-CB 3.74Å; L11-R103 HydrophobicContact CD1-CG 3.54Å; L11-R103 HydrophobicContact CD2-CB 4.19Å; L11-R103 HydrophobicContact CG-CB 4.48Å; T99-R103 WeakPolarHBondContact O-CB 3.41Å; T99-R103 PolarHBondContact O-N 3.4Å; T99-R103 VanDerWaalsContact O-N 3.1Å; L100-R103 PolarHBondContact O-N 3.18Å; K101-R103 VanDerWaalsContact C-N 3.35Å
104Y98.7Very high98.7Very high52 Ų5220.5 Ų20.520%0.2049%0.094CC..  trans-13565.2-173.6-50.8-70000110V72 P73 L100 K101 E106 Q107 I108V72-Y104 HydrophobicContact CG1-CD2 3.54Å; V72-Y104 HydrophobicContact CG1-CE2 4.2Å; V72-Y104 HydrophobicContact CG1-CG 3.99Å; P73-Y104 HydrophobicContact CB-CD1 3.63Å; P73-Y104 HydrophobicContact CB-CD2 4.47Å; P73-Y104 HydrophobicContact CB-CE1 3.71Å; P73-Y104 HydrophobicContact CB-CG 4.02Å; P73-Y104 HydrophobicContact CG-CD1 4.26Å; P73-Y104 HydrophobicContact CG-CE1 3.8Å; L100-Y104 HydrophobicContact CD2-CD2 4.2Å; L100-Y104 HydrophobicContact CD2-CE2 4.31Å; L100-Y104 PolarHBondContact O-N 2.92Å; K101-Y104 CarbonylContact O-C 3.56Å; Y104-E106 PolarHBondContact O-N 2.88Å; Y104-E106 VanDerWaalsContact O-N 3.1Å; Y104-Q107 PolarHBondContact O-N 3.11Å; Y104-I108 PolarHBondContact O-N 3.11Å
105P98.4Very high98.7Very high43 Ų4320.6 Ų20.628%0.27910%0.095SC..THydrogen-bonded Turntrans-60.7-25.5-171.224-35.3000114V35 K101V35-P105 HydrophobicContact CG1-CB 3.71Å; K101-P105 PolarHBondContact NZ-O 3.02Å; K101-P105 WeakPolarHBondContact O-CA 3.28Å
106E98.2Very high98.7Very high118 Ų11820.4 Ų20.455%0.5519%0.094SC*.THydrogen-bonded Turntrans-87.6-6.3178.2-63.4-59.5148.400113.7R76 Y104 F109R76-E106 PolarHBondContact NE-O 3.27Å; Y104-E106 PolarHBondContact O-N 2.88Å; Y104-E106 VanDerWaalsContact O-N 3.1Å; E106-F109 WeakPolarHBondContact O-CE2 3.29Å; E106-F109 VanDerWaalsContact O-CZ 3.28Å; E106-F109 WeakPolarHBondContact O-CZ 3.41Å
107Q98.6Very high98.7Very high48 Ų4819.9 Ų19.922%0.2249%0.093CC..THydrogen-bonded Turntrans-111.4-20.1-177.9-71.956.768.200112.7V72 P73 R76 Y77 Y104V72-Q107 HydrophobicContact CG1-CB 4.12Å; P73-Q107 HydrophobicContact CB-CG 4.21Å; P73-Q107 WeakPolarHBondContact O-CG 3.3Å; R76-Q107 CarbonylContact C-O 3.57Å; R76-Q107 VanDerWaalsContact CA-O 3.29Å; R76-Q107 WeakPolarHBondContact CA-O 3.46Å; R76-Q107 HydrophobicContact CG-CB 4.47Å; R76-Q107 HydrophobicContact CG-CG 4.2Å; Y77-Q107 PolarHBondContact N-O 3Å; Y104-Q107 PolarHBondContact O-N 3.11Å
108I98.8Very high98.7Very high0 Ų023.2 Ų23.20%011%0.105CC..EExtended strand (participates in β ladder)trans-122.4119.1175.9-67.3-58.1000109V72 Y77 F79 L100 K101 Y104 L110V72-I108 HydrophobicContact CG1-CG1 4.31Å; V72-I108 HydrophobicContact CG2-CD1 3.66Å; V72-I108 HydrophobicContact CG2-CG1 4.3Å; Y77-I108 HydrophobicContact CD2-CD1 4.04Å; Y77-I108 HydrophobicContact CG-CD1 4.34Å; F79-I108 HydrophobicContact CE2-CD1 4.22Å; L100-I108 HydrophobicContact CB-CG1 3.77Å; K101-I108 HydrophobicContact CB-CB 4.45Å; K101-I108 HydrophobicContact CB-CG2 3.94Å; K101-I108 HydrophobicContact CD-CB 4.42Å; K101-I108 HydrophobicContact CD-CG2 4.21Å; K101-I108 WeakPolarHBondContact CD-O 3.5Å; K101-I108 WeakPolarHBondContact CE-O 3.23Å; K101-I108 PolarHBondContact NZ-O 3.44Å; Y104-I108 PolarHBondContact O-N 3.11Å; I108-L110 HydrophobicContact CG2-CD1 4.22Å; I108-L110 HydrophobicContact CG2-CD2 3.68Å; I108-L110 HydrophobicContact CG2-CG 3.77Å
109F98.9Very high98.5Very high7 Ų727.9 Ų27.93%0.03113%0.134CC..EExtended strand (participates in β ladder)trans-115128.2172.1-57-83.1000108.4L45 R76 Y77 V78 F79 E106L45-F109 HydrophobicContact CD1-CB 4.23Å; L45-F109 HydrophobicContact CD1-CD1 4.22Å; L45-F109 HydrophobicContact CD1-CD2 3.77Å; L45-F109 HydrophobicContact CD1-CE2 4.23Å; L45-F109 HydrophobicContact CD1-CG 3.78Å; L45-F109 HydrophobicContact CD2-CD1 3.67Å; L45-F109 HydrophobicContact CD2-CD2 4Å; L45-F109 HydrophobicContact CD2-CE1 3.36Å; L45-F109 HydrophobicContact CD2-CE2 3.72Å; L45-F109 HydrophobicContact CD2-CG 3.99Å; L45-F109 HydrophobicContact CD2-CZ 3.39Å; R76-F109 VanDerWaalsContact NH2-CE2 3.29Å; Y77-F109 WeakPolarHBondContact O-CD2 3.26Å; Y77-F109 PolarHBondContact O-N 3.44Å; V78-F109 WeakPolarHBondContact CA-O 3.19Å; V78-F109 HydrophobicContact CG1-CB 4.49Å; V78-F109 HydrophobicContact CG2-CB 4.22Å; V78-F109 HydrophobicContact CG2-CD2 4.25Å; F79-F109 PolarHBondContact N-O 3.01Å; E106-F109 WeakPolarHBondContact O-CE2 3.29Å; E106-F109 VanDerWaalsContact O-CZ 3.28Å; E106-F109 WeakPolarHBondContact O-CZ 3.41Å
110L98.9Very high98.5Very high0 Ų028.3 Ų28.30%014%0.137CC..EExtended strand (participates in β ladder)trans-121109.9-175-58.2179.7000108.2F36 F79 Y83 L97 L98 K101 I108F36-L110 HydrophobicContact CE1-CB 4.15Å; F36-L110 HydrophobicContact CZ-CB 4Å; F36-L110 HydrophobicContact CZ-CD1 4.07Å; F36-L110 HydrophobicContact CZ-CG 4.47Å; F79-L110 HydrophobicContact CB-CD2 3.85Å; F79-L110 HydrophobicContact CD2-CD2 3.77Å; F79-L110 HydrophobicContact CG-CD2 4.03Å; Y83-L110 HydrophobicContact CE2-CB 4.14Å; Y83-L110 VanDerWaalsContact OH-C 3.31Å; Y83-L110 WeakPolarHBondContact OH-CA 3.3Å; Y83-L110 WeakPolarHBondContact OH-CB 3.28Å; L97-L110 HydrophobicContact CB-CD1 3.98Å; L97-L110 HydrophobicContact CB-CD2 4.19Å; L97-L110 HydrophobicContact CD1-CD2 4.34Å; L97-L110 HydrophobicContact CD2-CD2 4.19Å; L97-L110 HydrophobicContact CG-CD2 4.47Å; L98-L110 HydrophobicContact CD2-CD1 4.11Å; K101-L110 HydrophobicContact CB-CD1 4.09Å; K101-L110 HydrophobicContact CG-CD1 4.36Å; I108-L110 HydrophobicContact CG2-CD1 4.22Å; I108-L110 HydrophobicContact CG2-CD2 3.68Å; I108-L110 HydrophobicContact CG2-CG 3.77Å
111L98.9Very high98.5Very high1 Ų128 Ų281%0.00514%0.135CC..  trans-88.5155.1174.7-54.5-176.1000111V43 V78 F79 L80 G81 Y83 P151 A153 A154 C162V43-L111 HydrophobicContact CG2-CD2 4.35Å; V78-L111 HydrophobicContact CG1-CD1 4.1Å; V78-L111 HydrophobicContact CG1-CG 4.26Å; F79-L111 WeakPolarHBondContact O-CB 3.31Å; F79-L111 PolarHBondContact O-N 3.08Å; L80-L111 HydrophobicContact CD2-CD1 3.86Å; G81-L111 WeakPolarHBondContact CA-O 3.31Å; Y83-L111 PolarHBondContact OH-N 2.83Å; Y83-L111 PolarHBondContact OH-O 3.18Å; L111-P151 CarbonylContact C-O 3.51Å; L111-P151 WeakPolarHBondContact CA-O 3.37Å; L111-P151 HydrophobicContact CD2-CB 3.95Å; L111-A153 WeakPolarHBondContact CD2-O 3.4Å; L111-A154 HydrophobicContact CD1-CB 4.22Å; L111-A154 HydrophobicContact CD2-CB 4.23Å; L111-C162 HydrophobicContact CD1-CB 4.17Å
112R98.9Very high98.4Very high0 Ų030.4 Ų30.40%015%0.152CC..  trans-83.4123.3-178.1-160.9173.6176.9-177.2-1.7111.7E116 F147 H148 M150 P151 R182 C184 E185R112-E116 HydrophobicContact CG-CB 3.81Å; R112-E116 PolarHBondContact NE-O 2.79Å; R112-E116 PolarHBondContact NH2-O 2.88Å; R112-F147 VanDerWaalsContact CD-O 3.23Å; R112-F147 WeakPolarHBondContact CD-O 3.32Å; R112-F147 PolarHBondContact NE-O 2.8Å; R112-F147 VanDerWaalsContact NE-O 3.16Å; R112-F147 PolarHBondContact NH1-O 2.76Å; R112-H148 PolarHBondContact NH2-CD2 3.38Å; R112-M150 HydrophobicContact CB-CB 3.89Å; R112-M150 HydrophobicContact CG-CB 4.26Å; R112-P151 PolarHBondContact N-O 2.83Å; R112-R182 PolarHBondContact NH1-O 3.35Å; R112-R182 VanDerWaalsContact NH1-O 3.15Å; R112-C184 PolarHBondContact NH1-O 2.84Å; R112-C184 PolarHBondContact NH2-O 2.85Å; R112-C184 VanDerWaalsContact NH2-O 3.1Å; R112-E185 IonicContact NH2-OE1 2.74Å
113G98.8Very high98.3Very high0 Ų033.4 Ų33.40%017%0.174CC..  trans-90.4-179.9168.200000113D82 H115 E116 H164 I186D82-G113 WeakPolarHBondContact OD1-CA 3.47Å; G113-H115 VanDerWaalsContact C-N 3.3Å; G113-E116 WeakPolarHBondContact CA-OE2 2.98Å; G113-E116 PolarHBondContact N-OE2 2.72Å; G113-E116 PolarHBondContact O-N 3.08Å; G113-H164 VanDerWaalsContact CA-CD2 3.41Å; G113-H164 WeakPolarHBondContact CA-CD2 3.43Å; G113-I186 WeakPolarHBondContact O-CD1 3.46Å
114N98.6Very high98.3Very high2 Ų233.7 Ų33.71%0.01118%0.175CC..SBendtrans-77.1-1917662.7-61.8000112.3D82 C117 V120 H164 V196 W197 H238D82-N114 PolarHBondContact OD1-N 3.27Å; D82-N114 VanDerWaalsContact OD1-N 3.11Å; D82-N114 PolarHBondContact OD1-OD1 2.91Å; D82-N114 VanDerWaalsContact OD1-OD1 3.11Å; D82-N114 PolarHBondContact OD2-OD1 3.32Å; N114-C117 PolarHBondContact O-SG 2.9Å; N114-V120 VanDerWaalsContact O-CB 3.31Å; N114-V120 WeakPolarHBondContact O-CB 3.05Å; N114-V120 VanDerWaalsContact O-CG2 3.26Å; N114-V120 WeakPolarHBondContact O-CG2 3.36Å; N114-H164 PolarHBondContact N-CD2 2.84Å; N114-H164 PolarHBondContact OD1-CD2 2.7Å; N114-H164 VanDerWaalsContact OD1-CD2 3.27Å; N114-H164 PolarHBondContact OD1-NE2 3.47Å; N114-V196 HydrophobicContact CB-CB 4.26Å; N114-V196 HydrophobicContact CB-CG2 4.21Å; N114-V196 WeakPolarHBondContact CB-O 3.31Å; N114-W197 HydrophobicContact CB-CD2 3.91Å; N114-W197 HydrophobicContact CB-CE3 4.35Å; N114-W197 HydrophobicContact CB-CG 4.45Å; N114-W197 HydrophobicContact CB-CH2 4.22Å; N114-W197 HydrophobicContact CB-CZ2 3.72Å; N114-W197 WeakPolarHBondContact ND2-CH2 3.44Å; N114-W197 WeakPolarHBondContact ND2-CZ2 3.47Å; N114-W197 WeakPolarHBondContact ND2-CZ3 3.26Å; N114-H238 PolarHBondContact OD1-CE1 3.21Å; N114-H238 PolarHBondContact OD1-ND1 3.36Å
115H98.6Very high98.2Very high7 Ų732.3 Ų32.33%0.03218%0.177CC..SBendtrans-78.5-19.2172.3-77-99.5000113.3H56 D82 V84 D85 G113 C117 V120 S121 Y124H56-H115 AromaticContact CE1-CD2 3.59Å; H56-H115 AromaticContact CE1-CE1 3.8Å; H56-H115 AromaticContact CE1-CG 3.81Å; H56-H115 AromaticContact CE1-ND1 3.93Å; H56-H115 AromaticContact CE1-NE2 3.59Å; D82-H115 HydrophobicContact CB-CB 4.37Å; D82-H115 WeakPolarHBondContact OD1-CB 3.35Å; D82-H115 IonicContact OD1-CD2 3.07Å; D82-H115 PolarHBondContact OD1-CD2 2.98Å; D82-H115 IonicContact OD1-CG 3.1Å; D82-H115 PolarHBondContact OD1-N 3.49Å; D82-H115 IonicContact OD2-CD2 2.66Å; D82-H115 PolarHBondContact OD2-CD2 3.29Å; V84-H115 HydrophobicContact CG2-CB 4.29Å; D85-H115 VanDerWaalsContact CB-ND1 3.32Å; D85-H115 WeakPolarHBondContact CB-ND1 3.36Å; D85-H115 IonicContact OD2-CE1 3.03Å; D85-H115 IonicContact OD2-CG 2.73Å; D85-H115 IonicContact OD2-ND1 3.82Å; D85-H115 PolarHBondContact OD2-ND1 3.25Å; G113-H115 VanDerWaalsContact C-N 3.3Å; H115-C117 PolarHBondContact O-N 3.03Å; H115-V120 HydrophobicContact CB-CG1 4.21Å; H115-V120 VanDerWaalsContact CE1-CG1 3.41Å; H115-V120 WeakPolarHBondContact CE1-CG1 3.11Å; H115-V120 VanDerWaalsContact ND1-CG1 3.3Å; H115-V120 WeakPolarHBondContact ND1-CG1 3.4Å; H115-S121 WeakPolarHBondContact O-CB 3.42Å; H115-Y124 AromaticContact CE1-CD2 3.93Å; H115-Y124 AromaticContact CE1-CG 3.89Å
116E98.6Very high98.2Very high0 Ų030.3 Ų30.30%016%0.164CC..SBendtrans-80.653.9172.6-73.469.5-13100112D82 Y83 R112 G113 F147 M150D82-E116 WeakPolarHBondContact CA-OE2 3.31Å; D82-E116 PolarHBondContact N-OE2 2.66Å; Y83-E116 HydrophobicContact CD2-CG 4.05Å; Y83-E116 HydrophobicContact CE2-CG 4.41Å; Y83-E116 PolarHBondContact N-OE1 2.84Å; R112-E116 HydrophobicContact CG-CB 3.81Å; R112-E116 PolarHBondContact NE-O 2.79Å; R112-E116 PolarHBondContact NH2-O 2.88Å; G113-E116 WeakPolarHBondContact CA-OE2 2.98Å; G113-E116 PolarHBondContact N-OE2 2.72Å; G113-E116 PolarHBondContact O-N 3.08Å; E116-F147 VanDerWaalsContact CA-CD2 3.44Å; E116-F147 HydrophobicContact CB-CB 3.99Å; E116-F147 HydrophobicContact CB-CD1 3.85Å; E116-F147 HydrophobicContact CB-CD2 3.87Å; E116-F147 HydrophobicContact CB-CE1 4.27Å; E116-F147 HydrophobicContact CB-CE2 4.29Å; E116-F147 HydrophobicContact CB-CG 3.64Å; E116-F147 HydrophobicContact CB-CZ 4.47Å; E116-F147 HydrophobicContact CG-CD1 3.71Å; E116-F147 HydrophobicContact CG-CD2 4.33Å; E116-F147 HydrophobicContact CG-CE1 3.73Å; E116-F147 HydrophobicContact CG-CE2 4.34Å; E116-F147 HydrophobicContact CG-CG 4.04Å; E116-F147 HydrophobicContact CG-CZ 4.05Å; E116-F147 VanDerWaalsContact O-CB 3.3Å; E116-F147 WeakPolarHBondContact O-CB 3.48Å; E116-M150 HydrophobicContact CB-SD 4.43Å; E116-M150 HydrophobicContact CG-SD 4.07Å
117C98.2Very high98.2Very high6 Ų628.1 Ų28.14%0.04115%0.151CC..SBendtrans-151.1156.9177.383.70000110.9N114 H115 T119 V120 S121 E185 I186N114-C117 PolarHBondContact O-SG 2.9Å; H115-C117 PolarHBondContact O-N 3.03Å; C117-T119 PolarHBondContact O-N 3.04Å; C117-V120 VanDerWaalsContact SG-CB 3.56Å; C117-V120 WeakPolarHBondContact SG-CG2 3.34Å; C117-V120 PolarHBondContact SG-N 3.17Å; C117-V120 VanDerWaalsContact SG-N 3.35Å; C117-S121 VanDerWaalsContact O-CB 3.31Å; C117-S121 WeakPolarHBondContact O-CB 3.32Å; C117-S121 PolarHBondContact O-N 2.87Å; C117-S121 PolarHBondContact O-OG 3.1Å; C117-E185 VanDerWaalsContact CA-OE1 3.3Å; C117-E185 WeakPolarHBondContact CA-OE1 3.14Å; C117-E185 WeakPolarHBondContact CB-OE1 3.13Å; C117-I186 HydrophobicContact CB-CB 4.15Å; C117-I186 HydrophobicContact CB-CD1 3.63Å; C117-I186 HydrophobicContact CB-CG1 3.76Å
118R98Very high98.2Very high69 Ų6930.5 Ų30.526%0.2617%0.166SC..Hα-helixtrans-65.2-43.2-177.2-70177.3-156.8-80.4-1112.8V120 S122 W140 C144 D145 E185R118-V120 PolarHBondContact O-N 2.87Å; R118-S122 WeakPolarHBondContact O-CB 3.33Å; R118-S122 PolarHBondContact O-N 3.41Å; R118-S122 PolarHBondContact O-OG 2.62Å; R118-W140 HydrophobicContact CB-CH2 4.17Å; R118-W140 HydrophobicContact CB-CZ2 4.03Å; R118-W140 HydrophobicContact CG-CH2 4.1Å; R118-W140 HydrophobicContact CG-CZ2 4.13Å; R118-C144 HydrophobicContact CG-CB 3.64Å; R118-D145 IonicContact CZ-OD1 3.78Å; R118-D145 IonicContact NH1-OD1 2.67Å; R118-D145 IonicContact NH2-OD1 3.82Å; R118-D145 PolarHBondContact NH2-OD1 2.92Å; R118-E185 VanDerWaalsContact CB-OE2 3.24Å; R118-E185 WeakPolarHBondContact CB-OE2 3.33Å; R118-E185 VanDerWaalsContact CD-OE2 3.24Å; R118-E185 WeakPolarHBondContact CD-OE2 3.28Å; R118-E185 WeakPolarHBondContact CG-OE2 3.43Å; R118-E185 PolarHBondContact N-OE1 3.31Å; R118-E185 VanDerWaalsContact N-OE1 3.15Å; R118-E185 PolarHBondContact N-OE2 2.94Å; R118-E185 IonicContact NE-OE2 2.76Å; R118-E185 PolarHBondContact NE-OE2 3.03Å
119T96.2Very high98.2Very high102 Ų10231.2 Ų31.263%0.62617%0.169SC*.Hα-helixtrans-59.7-48.4-174.5-58.60000110.8C117 S122C117-T119 PolarHBondContact O-N 3.04Å; T119-S122 PolarHBondContact O-OG 3.35Å
120V98Very high98.1Very high9 Ų930.9 Ų30.96%0.05517%0.168CC..Hα-helixtrans-74.3-52.1-179.6179.80000110.9N114 H115 C117 R118 S122 S123 Y124 W197N114-V120 VanDerWaalsContact O-CB 3.31Å; N114-V120 WeakPolarHBondContact O-CB 3.05Å; N114-V120 VanDerWaalsContact O-CG2 3.26Å; N114-V120 WeakPolarHBondContact O-CG2 3.36Å; H115-V120 HydrophobicContact CB-CG1 4.21Å; H115-V120 VanDerWaalsContact CE1-CG1 3.41Å; H115-V120 WeakPolarHBondContact CE1-CG1 3.11Å; H115-V120 VanDerWaalsContact ND1-CG1 3.3Å; H115-V120 WeakPolarHBondContact ND1-CG1 3.4Å; C117-V120 VanDerWaalsContact SG-CB 3.56Å; C117-V120 WeakPolarHBondContact SG-CG2 3.34Å; C117-V120 PolarHBondContact SG-N 3.17Å; C117-V120 VanDerWaalsContact SG-N 3.35Å; R118-V120 PolarHBondContact O-N 2.87Å; V120-S122 PolarHBondContact O-N 2.83Å; V120-S123 PolarHBondContact O-N 3.13Å; V120-Y124 HydrophobicContact CB-CD2 4.48Å; V120-Y124 HydrophobicContact CG1-CD2 3.53Å; V120-Y124 HydrophobicContact CG1-CE2 3.87Å; V120-Y124 VanDerWaalsContact O-CD2 3.31Å; V120-Y124 WeakPolarHBondContact O-CD2 3.46Å; V120-Y124 PolarHBondContact O-N 3.26Å; V120-W197 HydrophobicContact CG2-CH2 4.01Å; V120-W197 HydrophobicContact CG2-CZ2 3.62Å
121S98Very high98.1Very high0 Ų034.3 Ų34.30%019%0.185CC..Hα-helixtrans-65.8-15.8-175.664.60000115.6D85 H115 C117 S123 Y127 W140D85-S121 VanDerWaalsContact OD2-CA 3.28Å; D85-S121 WeakPolarHBondContact OD2-CA 3.49Å; H115-S121 WeakPolarHBondContact O-CB 3.42Å; C117-S121 VanDerWaalsContact O-CB 3.31Å; C117-S121 WeakPolarHBondContact O-CB 3.32Å; C117-S121 PolarHBondContact O-N 2.87Å; C117-S121 PolarHBondContact O-OG 3.1Å; S121-S123 VanDerWaalsContact C-N 3.27Å; S121-Y127 PolarHBondContact O-N 3.19Å; S121-Y127 VanDerWaalsContact O-N 3.16Å; S121-W140 PolarHBondContact OG-NE1 3.08Å
122S97.8Very high98Very high49 Ų4941.5 Ų41.534%0.34322%0.223SC..THydrogen-bonded Turntrans-70.8-20.7169.969.50000114R118 T119 V120R118-S122 WeakPolarHBondContact O-CB 3.33Å; R118-S122 PolarHBondContact O-N 3.41Å; R118-S122 PolarHBondContact O-OG 2.62Å; T119-S122 PolarHBondContact O-OG 3.35Å; V120-S122 PolarHBondContact O-N 2.83Å
123S97.2Very high98Very high85 Ų8544.3 Ų44.359%0.59424%0.235SC*.THydrogen-bonded Turntrans-116.7-16.4-165.9-620000114.5V120 S121V120-S123 PolarHBondContact O-N 3.13Å; S121-S123 VanDerWaalsContact C-N 3.27Å
124Y97.4Very high97.9Very high109 Ų10946.4 Ų46.443%0.42725%0.245SC..SBendtrans-114.612-172-67.3-82.4000114.8D85 R86 H115 V120D85-Y124 WeakPolarHBondContact CB-O 3.43Å; R86-Y124 PolarHBondContact N-O 2.92Å; H115-Y124 AromaticContact CE1-CD2 3.93Å; H115-Y124 AromaticContact CE1-CG 3.89Å; V120-Y124 HydrophobicContact CB-CD2 4.48Å; V120-Y124 HydrophobicContact CG1-CD2 3.53Å; V120-Y124 HydrophobicContact CG1-CE2 3.87Å; V120-Y124 VanDerWaalsContact O-CD2 3.31Å; V120-Y124 WeakPolarHBondContact O-CD2 3.46Å; V120-Y124 PolarHBondContact O-N 3.26Å
125G96.8Very high97.8Very high24 Ų2449.4 Ų49.425%0.24728%0.276CS..SBendtrans121.9-22163.500000115.5D85 Y127 D128 E129D85-G125 PolarHBondContact OD1-N 3.47Å; G125-Y127 PolarHBondContact O-N 3.07Å; G125-D128 PolarHBondContact O-N 3.22Å; G125-E129 VanDerWaalsContact O-CB 3.26Å; G125-E129 WeakPolarHBondContact O-CB 3.3Å; G125-E129 PolarHBondContact O-N 2.75Å
126F98.6Very high97.7Very high0 Ų050.4 Ų50.40%028%0.284CS..Hα-helixtrans-65.5-42.5-176.2-177.6-144.6000112.5V84 D85 S90 V91 I94 D128 E129 C130 W140 C143 F147V84-F126 HydrophobicContact CB-CB 4Å; V84-F126 HydrophobicContact CB-CD1 3.81Å; V84-F126 HydrophobicContact CB-CD2 4.25Å; V84-F126 HydrophobicContact CB-CE1 4.36Å; V84-F126 HydrophobicContact CB-CG 3.77Å; V84-F126 HydrophobicContact CG1-CD1 3.88Å; V84-F126 HydrophobicContact CG1-CD2 4.23Å; V84-F126 HydrophobicContact CG1-CE1 3.91Å; V84-F126 HydrophobicContact CG1-CE2 4.23Å; V84-F126 HydrophobicContact CG1-CG 4.07Å; V84-F126 HydrophobicContact CG1-CZ 4.08Å; V84-F126 HydrophobicContact CG2-CB 4.22Å; V84-F126 HydrophobicContact CG2-CD1 3.79Å; V84-F126 HydrophobicContact CG2-CE1 4.45Å; V84-F126 HydrophobicContact CG2-CG 4.13Å; D85-F126 WeakPolarHBondContact OD1-CB 3.43Å; D85-F126 PolarHBondContact OD1-N 3.26Å; S90-F126 VanDerWaalsContact CB-CD2 3.46Å; V91-F126 HydrophobicContact CG2-CE2 3.99Å; I94-F126 HydrophobicContact CG2-CZ 4.42Å; F126-D128 PolarHBondContact O-N 3.23Å; F126-E129 PolarHBondContact O-N 3.02Å; F126-C130 WeakPolarHBondContact CE2-SG 3.1Å; F126-C130 PolarHBondContact O-N 2.85Å; F126-W140 AromaticContact CD1-CD1 3.59Å; F126-W140 AromaticContact CE1-CD1 3.96Å; F126-C143 HydrophobicContact CE1-CB 3.71Å; F126-C143 HydrophobicContact CZ-CB 3.82Å; F126-F147 HydrophobicContact CE1-CE2 4.25Å; F126-F147 AromaticContact CE1-CZ 3.94Å; F126-F147 HydrophobicContact CE1-CZ 3.94Å
127Y98.6Very high97.6Very high72 Ų7251.9 Ų51.928%0.28229%0.293SS..Hα-helixtrans-55.6-51.6174176.7-86.3000112.2S121 G125 E129 C130 L131 P137 W140S121-Y127 PolarHBondContact O-N 3.19Å; S121-Y127 VanDerWaalsContact O-N 3.16Å; G125-Y127 PolarHBondContact O-N 3.07Å; Y127-E129 VanDerWaalsContact C-N 3.31Å; Y127-E129 PolarHBondContact O-N 2.89Å; Y127-C130 PolarHBondContact O-N 3.35Å; Y127-L131 HydrophobicContact CE1-CD2 4.4Å; Y127-L131 PolarHBondContact O-N 2.61Å; Y127-P137 HydrophobicContact CD2-CB 4.16Å; Y127-P137 HydrophobicContact CE2-CB 3.4Å; Y127-P137 VanDerWaalsContact CE2-CB 3.4Å; Y127-P137 HydrophobicContact CE2-CG 4.3Å; Y127-W140 AromaticContact CD2-CD2 3.57Å; Y127-W140 HydrophobicContact CD2-CD2 3.57Å; Y127-W140 AromaticContact CD2-CE2 3.94Å; Y127-W140 AromaticContact CD2-CE3 3.58Å; Y127-W140 HydrophobicContact CD2-CE3 3.58Å; Y127-W140 AromaticContact CD2-CG 4Å; Y127-W140 HydrophobicContact CD2-CG 4Å; Y127-W140 HydrophobicContact CD2-CH2 4.35Å; Y127-W140 HydrophobicContact CD2-CZ2 4.33Å; Y127-W140 AromaticContact CD2-CZ3 3.99Å; Y127-W140 HydrophobicContact CD2-CZ3 3.99Å; Y127-W140 HydrophobicContact CE2-CD2 4.38Å; Y127-W140 AromaticContact CE2-CE3 3.94Å; Y127-W140 HydrophobicContact CE2-CE3 3.94Å; Y127-W140 HydrophobicContact CE2-CZ3 4.16Å; Y127-W140 HydrophobicContact CG-CD2 4.47Å
128D98.3Very high97.5Very high98 Ų9854.9 Ų54.952%0.52431%0.308SS..Hα-helixtrans-64.9-37.3-179.6-67.8-33.7000111.5G125 F126 L131 L132G125-D128 PolarHBondContact O-N 3.22Å; F126-D128 PolarHBondContact O-N 3.23Å; D128-L131 PolarHBondContact O-N 3.21Å; D128-L132 VanDerWaalsContact O-CB 3.29Å; D128-L132 WeakPolarHBondContact O-CB 3.47Å; D128-L132 PolarHBondContact O-N 2.8Å
129E98.2Very high97.5Very high15 Ų1551.8 Ų51.87%0.0730%0.297CS..Hα-helixtrans-62.2-44.1176.1-168.8-170.6136.200111.6S90 V91 G125 F126 Y127 L132 K133S90-E129 WeakPolarHBondContact CB-OE2 3.38Å; S90-E129 VanDerWaalsContact N-CD 3.26Å; S90-E129 PolarHBondContact N-OE1 3.06Å; S90-E129 PolarHBondContact N-OE2 2.86Å; S90-E129 PolarHBondContact OG-OE2 2.83Å; V91-E129 HydrophobicContact CG2-CG 4.38Å; V91-E129 WeakPolarHBondContact CG2-OE1 3.49Å; V91-E129 PolarHBondContact N-OE1 2.85Å; G125-E129 VanDerWaalsContact O-CB 3.26Å; G125-E129 WeakPolarHBondContact O-CB 3.3Å; G125-E129 PolarHBondContact O-N 2.75Å; F126-E129 PolarHBondContact O-N 3.02Å; Y127-E129 VanDerWaalsContact C-N 3.31Å; Y127-E129 PolarHBondContact O-N 2.89Å; E129-L132 PolarHBondContact O-N 2.93Å; E129-K133 VanDerWaalsContact CD-NZ 3.29Å; E129-K133 HydrophobicContact CG-CD 3.92Å; E129-K133 WeakPolarHBondContact O-CB 3.41Å; E129-K133 WeakPolarHBondContact O-CG 3.45Å; E129-K133 PolarHBondContact O-N 2.86Å; E129-K133 IonicContact OE1-NZ 3.08Å; E129-K133 PolarHBondContact OE1-NZ 2.83Å
130C98.3Very high97.6Very high0 Ų048.1 Ų48.10%027%0.272CS..Hα-helixtrans-63.5-45.6174.3-74.60000111.8F126 Y127 L132 K133 F134 W140F126-C130 WeakPolarHBondContact CE2-SG 3.1Å; F126-C130 PolarHBondContact O-N 2.85Å; Y127-C130 PolarHBondContact O-N 3.35Å; C130-L132 VanDerWaalsContact C-N 3.32Å; C130-L132 PolarHBondContact O-N 3.16Å; C130-K133 PolarHBondContact O-N 3.06Å; C130-F134 WeakPolarHBondContact O-CB 3.34Å; C130-F134 WeakPolarHBondContact O-CD2 3.22Å; C130-F134 PolarHBondContact O-N 2.79Å; C130-W140 HydrophobicContact CB-CB 3.88Å
131L97.9Very high97.7Very high72 Ų7251.2 Ų51.238%0.37729%0.286SS..Hα-helixtrans-59.9-43.8178.2-17962000111.5Y127 D128 G135Y127-L131 HydrophobicContact CE1-CD2 4.4Å; Y127-L131 PolarHBondContact O-N 2.61Å; D128-L131 PolarHBondContact O-N 3.21Å; L131-G135 WeakPolarHBondContact O-CA 3.21Å; L131-G135 PolarHBondContact O-N 2.84Å
132L97.8Very high97.7Very high152 Ų15253.4 Ų53.480%0.79630%0.295SS*.Hα-helixtrans-66.8-42.2179.7-17765.9000112.3D128 E129 C130D128-L132 VanDerWaalsContact O-CB 3.29Å; D128-L132 WeakPolarHBondContact O-CB 3.47Å; D128-L132 PolarHBondContact O-N 2.8Å; E129-L132 PolarHBondContact O-N 2.93Å; C130-L132 VanDerWaalsContact C-N 3.32Å; C130-L132 PolarHBondContact O-N 3.16Å
133K97.3Very high97.7Very high59 Ų5951.1 Ų51.126%0.25728%0.279SS..Hα-helixtrans-80.7-30.7-175-71176.7179.9171.90113.7L19 R88 V91 E129 C130L19-K133 HydrophobicContact CD1-CB 4.16Å; L19-K133 HydrophobicContact CD1-CD 3.97Å; L19-K133 HydrophobicContact CD1-CG 4.11Å; L19-K133 HydrophobicContact CD2-CD 3.99Å; R88-K133 PolarHBondContact O-NZ 3.16Å; R88-K133 VanDerWaalsContact O-NZ 3.08Å; V91-K133 HydrophobicContact CB-CD 4.32Å; V91-K133 HydrophobicContact CG2-CD 4.17Å; E129-K133 VanDerWaalsContact CD-NZ 3.29Å; E129-K133 HydrophobicContact CG-CD 3.92Å; E129-K133 WeakPolarHBondContact O-CB 3.41Å; E129-K133 WeakPolarHBondContact O-CG 3.45Å; E129-K133 PolarHBondContact O-N 2.86Å; E129-K133 IonicContact OE1-NZ 3.08Å; E129-K133 PolarHBondContact OE1-NZ 2.83Å; C130-K133 PolarHBondContact O-N 3.06Å
134F97Very high97.8Very high45 Ų4547.1 Ų47.120%0.19725%0.251CS..Hα-helixtrans-118.9-3.6-173.3-61.9-89.5000113.9E22 L25 V91 C130 S136 L139E22-F134 HydrophobicContact CB-CD1 4.39Å; L25-F134 HydrophobicContact CD1-CE1 3.79Å; L25-F134 HydrophobicContact CD1-CZ 3.55Å; V91-F134 HydrophobicContact CG1-CE2 3.82Å; V91-F134 HydrophobicContact CG1-CZ 3.98Å; V91-F134 HydrophobicContact CG2-CE2 4.1Å; C130-F134 WeakPolarHBondContact O-CB 3.34Å; C130-F134 WeakPolarHBondContact O-CD2 3.22Å; C130-F134 PolarHBondContact O-N 2.79Å; F134-S136 PolarHBondContact O-N 2.87Å; F134-L139 HydrophobicContact CD2-CB 4.49Å; F134-L139 HydrophobicContact CD2-CD2 3.62Å; F134-L139 HydrophobicContact CE1-CD2 4.26Å; F134-L139 HydrophobicContact CE2-CD2 3.22Å; F134-L139 HydrophobicContact CG-CD2 4.32Å; F134-L139 HydrophobicContact CZ-CD2 3.58Å
135G97.3Very high97.8Very high65 Ų6545 Ų4567%0.6725%0.247SC*.SBendtrans70.54.2-178.300000114.4L131L131-G135 WeakPolarHBondContact O-CA 3.21Å; L131-G135 PolarHBondContact O-N 2.84Å
136S97Very high97.9Very high27 Ų2743.9 Ų43.919%0.18924%0.236CC..SBendtrans-152.8156.8177.184.60000111.3F134 L138F134-S136 PolarHBondContact O-N 2.87Å; S136-L138 PolarHBondContact O-N 2.85Å; S136-L138 PolarHBondContact OG-N 2.89Å
137P95.6Very high97.9Very high31 Ų3143.9 Ų43.920%0.20124%0.236CC..SBendtrans-837.7176.635.5-36.5000113.4Y127 L139 W140 Q141Y127-P137 HydrophobicContact CD2-CB 4.16Å; Y127-P137 HydrophobicContact CE2-CB 3.4Å; Y127-P137 VanDerWaalsContact CE2-CB 3.4Å; Y127-P137 HydrophobicContact CE2-CG 4.3Å; P137-L139 VanDerWaalsContact C-N 3.33Å; P137-L139 PolarHBondContact O-N 2.88Å; P137-W140 WeakPolarHBondContact O-CB 3.4Å; P137-W140 PolarHBondContact O-N 2.96Å; P137-W140 VanDerWaalsContact O-N 3.16Å; P137-Q141 WeakPolarHBondContact O-CG 3.46Å; P137-Q141 PolarHBondContact O-N 3.01Å
138L97.5Very high97.9Very high69 Ų6942 Ų4236%0.36123%0.23SC..Hα-helixtrans-60.5-41.5-173.7-72.2176.2000112.4S136 W140 Q141 F142S136-L138 PolarHBondContact O-N 2.85Å; S136-L138 PolarHBondContact OG-N 2.89Å; L138-W140 VanDerWaalsContact C-N 3.33Å; L138-W140 PolarHBondContact O-N 2.81Å; L138-Q141 WeakPolarHBondContact O-CB 3.38Å; L138-Q141 PolarHBondContact O-N 3.46Å; L138-Q141 VanDerWaalsContact O-N 3.17Å; L138-F142 HydrophobicContact CB-CE2 4Å; L138-F142 WeakPolarHBondContact O-CD2 3.15Å; L138-F142 WeakPolarHBondContact O-CG 3.41Å; L138-F142 PolarHBondContact O-N 2.67Å
139L97.8Very high97.9Very high4 Ų440.6 Ų40.62%0.02122%0.217CC..Hα-helixtrans-59.8-45.1176.317963.4000111.8L25 I29 V91 F134 P137 Q141 F142 C143L25-L139 HydrophobicContact CB-CD1 3.9Å; L25-L139 HydrophobicContact CD1-CD1 3.89Å; L25-L139 HydrophobicContact CD1-CD2 3.71Å; L25-L139 HydrophobicContact CD1-CG 4.47Å; L25-L139 HydrophobicContact CG-CD1 4.42Å; I29-L139 HydrophobicContact CD1-CD1 3.92Å; V91-L139 HydrophobicContact CG1-CD2 4Å; V91-L139 HydrophobicContact CG2-CD2 4.11Å; F134-L139 HydrophobicContact CD2-CB 4.49Å; F134-L139 HydrophobicContact CD2-CD2 3.62Å; F134-L139 HydrophobicContact CE1-CD2 4.26Å; F134-L139 HydrophobicContact CE2-CD2 3.22Å; F134-L139 HydrophobicContact CG-CD2 4.32Å; F134-L139 HydrophobicContact CZ-CD2 3.58Å; P137-L139 VanDerWaalsContact C-N 3.33Å; P137-L139 PolarHBondContact O-N 2.88Å; L139-Q141 VanDerWaalsContact C-N 3.29Å; L139-Q141 PolarHBondContact O-N 3.12Å; L139-F142 PolarHBondContact O-N 2.73Å; L139-C143 PolarHBondContact O-N 2.78Å; L139-C143 PolarHBondContact O-SG 3.22Å
140W98.5Very high98Very high25 Ų2539.9 Ų39.910%0.09521%0.214CC..Hα-helixtrans-58.7-42.2176168.884.1000111.3R118 S121 F126 Y127 C130 P137 L138 C143 C144R118-W140 HydrophobicContact CB-CH2 4.17Å; R118-W140 HydrophobicContact CB-CZ2 4.03Å; R118-W140 HydrophobicContact CG-CH2 4.1Å; R118-W140 HydrophobicContact CG-CZ2 4.13Å; S121-W140 PolarHBondContact OG-NE1 3.08Å; F126-W140 AromaticContact CD1-CD1 3.59Å; F126-W140 AromaticContact CE1-CD1 3.96Å; Y127-W140 AromaticContact CD2-CD2 3.57Å; Y127-W140 HydrophobicContact CD2-CD2 3.57Å; Y127-W140 AromaticContact CD2-CE2 3.94Å; Y127-W140 AromaticContact CD2-CE3 3.58Å; Y127-W140 HydrophobicContact CD2-CE3 3.58Å; Y127-W140 AromaticContact CD2-CG 4Å; Y127-W140 HydrophobicContact CD2-CG 4Å; Y127-W140 HydrophobicContact CD2-CH2 4.35Å; Y127-W140 HydrophobicContact CD2-CZ2 4.33Å; Y127-W140 AromaticContact CD2-CZ3 3.99Å; Y127-W140 HydrophobicContact CD2-CZ3 3.99Å; Y127-W140 HydrophobicContact CE2-CD2 4.38Å; Y127-W140 AromaticContact CE2-CE3 3.94Å; Y127-W140 HydrophobicContact CE2-CE3 3.94Å; Y127-W140 HydrophobicContact CE2-CZ3 4.16Å; Y127-W140 HydrophobicContact CG-CD2 4.47Å; C130-W140 HydrophobicContact CB-CB 3.88Å; P137-W140 WeakPolarHBondContact O-CB 3.4Å; P137-W140 PolarHBondContact O-N 2.96Å; P137-W140 VanDerWaalsContact O-N 3.16Å; L138-W140 VanDerWaalsContact C-N 3.33Å; L138-W140 PolarHBondContact O-N 2.81Å; W140-C143 PolarHBondContact O-N 2.87Å; W140-C144 PolarHBondContact O-N 2.79Å; W140-C144 PolarHBondContact O-SG 2.93Å
141Q98.3Very high98Very high75 Ų7540 Ų4035%0.3521%0.214SC..Hα-helixtrans-61.3-45.7176.4-66.5176.7-8.300111.8P137 L138 L139 C143 C144 D145P137-Q141 WeakPolarHBondContact O-CG 3.46Å; P137-Q141 PolarHBondContact O-N 3.01Å; L138-Q141 WeakPolarHBondContact O-CB 3.38Å; L138-Q141 PolarHBondContact O-N 3.46Å; L138-Q141 VanDerWaalsContact O-N 3.17Å; L139-Q141 VanDerWaalsContact C-N 3.29Å; L139-Q141 PolarHBondContact O-N 3.12Å; Q141-C143 PolarHBondContact O-N 3.33Å; Q141-C144 WeakPolarHBondContact O-CB 3.38Å; Q141-C144 PolarHBondContact O-N 2.89Å; Q141-D145 PolarHBondContact O-N 3.24Å
142F98.3Very high98Very high46 Ų4636.5 Ų36.520%0.20220%0.196CC..Hα-helixtrans-64-38.3177.2-62.5-44.9000112.5R26 I29 L138 L139 D145 L146R26-F142 HydrophobicContact CG-CD2 3.6Å; R26-F142 HydrophobicContact CG-CE2 3.66Å; R26-F142 HydrophobicContact CG-CG 4.39Å; R26-F142 HydrophobicContact CG-CZ 4.47Å; I29-F142 HydrophobicContact CD1-CB 3.95Å; L138-F142 HydrophobicContact CB-CE2 4Å; L138-F142 WeakPolarHBondContact O-CD2 3.15Å; L138-F142 WeakPolarHBondContact O-CG 3.41Å; L138-F142 PolarHBondContact O-N 2.67Å; L139-F142 PolarHBondContact O-N 2.73Å; F142-D145 PolarHBondContact O-N 2.74Å; F142-L146 PolarHBondContact O-N 3.24Å
143C98.7Very high98.1Very high1 Ų129.3 Ų29.31%0.00716%0.159CC..Hα-helixtrans-65.2-41.1173.2-71.90000111.7F126 L139 W140 Q141 D145 L146 F147F126-C143 HydrophobicContact CE1-CB 3.71Å; F126-C143 HydrophobicContact CZ-CB 3.82Å; L139-C143 PolarHBondContact O-N 2.78Å; L139-C143 PolarHBondContact O-SG 3.22Å; W140-C143 PolarHBondContact O-N 2.87Å; Q141-C143 PolarHBondContact O-N 3.33Å; C143-D145 VanDerWaalsContact C-N 3.32Å; C143-D145 PolarHBondContact O-N 2.85Å; C143-L146 WeakPolarHBondContact O-CB 3.44Å; C143-L146 PolarHBondContact O-N 3.06Å; C143-L146 VanDerWaalsContact O-N 3.15Å; C143-F147 HydrophobicContact CB-CE1 4.3Å; C143-F147 HydrophobicContact CB-CE2 4.35Å; C143-F147 HydrophobicContact CB-CZ 3.93Å; C143-F147 WeakPolarHBondContact O-CD1 3.09Å; C143-F147 WeakPolarHBondContact O-CD2 3.3Å; C143-F147 WeakPolarHBondContact O-CG 3.39Å; C143-F147 PolarHBondContact O-N 3.36Å
144C98.6Very high98.2Very high1 Ų126.5 Ų26.51%0.00715%0.146CC..Hα-helixtrans-61.5-40.2174.6-67.90000112.5R118 W140 Q141 L146 F147 H148R118-C144 HydrophobicContact CG-CB 3.64Å; W140-C144 PolarHBondContact O-N 2.79Å; W140-C144 PolarHBondContact O-SG 2.93Å; Q141-C144 WeakPolarHBondContact O-CB 3.38Å; Q141-C144 PolarHBondContact O-N 2.89Å; C144-L146 VanDerWaalsContact C-N 3.31Å; C144-L146 PolarHBondContact O-N 2.9Å; C144-F147 PolarHBondContact O-N 3.1Å; C144-H148 PolarHBondContact O-CD2 3.01Å
145D98.2Very high98.3Very high64 Ų6424.5 Ų24.534%0.34214%0.138SC..Hα-helixtrans-62.8-38.4174.2-66.3-21.1000111.8R118 Q141 F142 C143 Y149R118-D145 IonicContact CZ-OD1 3.78Å; R118-D145 IonicContact NH1-OD1 2.67Å; R118-D145 IonicContact NH2-OD1 3.82Å; R118-D145 PolarHBondContact NH2-OD1 2.92Å; Q141-D145 PolarHBondContact O-N 3.24Å; F142-D145 PolarHBondContact O-N 2.74Å; C143-D145 VanDerWaalsContact C-N 3.32Å; C143-D145 PolarHBondContact O-N 2.85Å; D145-Y149 VanDerWaalsContact O-CD2 3.28Å; D145-Y149 WeakPolarHBondContact O-CD2 3.45Å; D145-Y149 WeakPolarHBondContact O-CE2 3.46Å
146L98.7Very high98.3Very high0 Ų021.4 Ų21.40%011%0.106CC..Hα-helixtrans-64.8-39.8174.4173.969.7000112.4I29 A32 Q33 F36 L98 F142 C143 C144 H148 Y149I29-L146 HydrophobicContact CG1-CD2 4.28Å; I29-L146 HydrophobicContact CG2-CB 3.96Å; I29-L146 HydrophobicContact CG2-CD1 4.49Å; I29-L146 HydrophobicContact CG2-CD2 4.27Å; I29-L146 HydrophobicContact CG2-CG 4.49Å; A32-L146 HydrophobicContact CB-CD1 3.84Å; Q33-L146 HydrophobicContact CB-CD1 4.34Å; Q33-L146 HydrophobicContact CG-CB 4.42Å; Q33-L146 HydrophobicContact CG-CD1 3.5Å; F36-L146 HydrophobicContact CD2-CD1 3.76Å; F36-L146 HydrophobicContact CE2-CD1 3.88Å; F36-L146 HydrophobicContact CE2-CG 4.44Å; L98-L146 HydrophobicContact CD1-CD2 3.32Å; L98-L146 HydrophobicContact CD2-CD2 3.66Å; L98-L146 HydrophobicContact CG-CD2 4.11Å; F142-L146 PolarHBondContact O-N 3.24Å; C143-L146 WeakPolarHBondContact O-CB 3.44Å; C143-L146 PolarHBondContact O-N 3.06Å; C143-L146 VanDerWaalsContact O-N 3.15Å; C144-L146 VanDerWaalsContact C-N 3.31Å; C144-L146 PolarHBondContact O-N 2.9Å; L146-H148 PolarHBondContact O-N 3.2Å; L146-H148 VanDerWaalsContact O-N 3.13Å; L146-Y149 WeakPolarHBondContact O-CB 3.2Å; L146-Y149 PolarHBondContact O-N 2.83Å
147F98.8Very high98.4Very high0 Ų021.8 Ų21.80%011%0.106CC..Hα-helixtrans-58.4-29.2-177-62.2-25.8000112.8V84 I94 R112 E116 F126 C143 C144 Y149 M150V84-F147 HydrophobicContact CG1-CZ 4.35Å; V84-F147 HydrophobicContact CG2-CZ 4.42Å; I94-F147 HydrophobicContact CD1-CE1 4.25Å; R112-F147 VanDerWaalsContact CD-O 3.23Å; R112-F147 WeakPolarHBondContact CD-O 3.32Å; R112-F147 PolarHBondContact NE-O 2.8Å; R112-F147 VanDerWaalsContact NE-O 3.16Å; R112-F147 PolarHBondContact NH1-O 2.76Å; E116-F147 VanDerWaalsContact CA-CD2 3.44Å; E116-F147 HydrophobicContact CB-CB 3.99Å; E116-F147 HydrophobicContact CB-CD1 3.85Å; E116-F147 HydrophobicContact CB-CD2 3.87Å; E116-F147 HydrophobicContact CB-CE1 4.27Å; E116-F147 HydrophobicContact CB-CE2 4.29Å; E116-F147 HydrophobicContact CB-CG 3.64Å; E116-F147 HydrophobicContact CB-CZ 4.47Å; E116-F147 HydrophobicContact CG-CD1 3.71Å; E116-F147 HydrophobicContact CG-CD2 4.33Å; E116-F147 HydrophobicContact CG-CE1 3.73Å; E116-F147 HydrophobicContact CG-CE2 4.34Å; E116-F147 HydrophobicContact CG-CG 4.04Å; E116-F147 HydrophobicContact CG-CZ 4.05Å; E116-F147 VanDerWaalsContact O-CB 3.3Å; E116-F147 WeakPolarHBondContact O-CB 3.48Å; F126-F147 HydrophobicContact CE1-CE2 4.25Å; F126-F147 AromaticContact CE1-CZ 3.94Å; F126-F147 HydrophobicContact CE1-CZ 3.94Å; C143-F147 HydrophobicContact CB-CE1 4.3Å; C143-F147 HydrophobicContact CB-CE2 4.35Å; C143-F147 HydrophobicContact CB-CZ 3.93Å; C143-F147 WeakPolarHBondContact O-CD1 3.09Å; C143-F147 WeakPolarHBondContact O-CD2 3.3Å; C143-F147 WeakPolarHBondContact O-CG 3.39Å; C143-F147 PolarHBondContact O-N 3.36Å; C144-F147 PolarHBondContact O-N 3.1Å; F147-Y149 PolarHBondContact O-N 2.83Å; F147-M150 HydrophobicContact CD1-CE 3.77Å; F147-M150 HydrophobicContact CD1-SD 3.94Å; F147-M150 HydrophobicContact CE1-CE 4.14Å; F147-M150 PolarHBondContact O-N 3.48Å
148H98.4Very high98.5Very high34 Ų3422.6 Ų22.616%0.15712%0.12CC..THydrogen-bonded Turntrans-60.4-24.1174.4-64.4-172.8000113.3R112 C144 L146 R182 F183 C184 E185R112-H148 PolarHBondContact NH2-CD2 3.38Å; C144-H148 PolarHBondContact O-CD2 3.01Å; L146-H148 PolarHBondContact O-N 3.2Å; L146-H148 VanDerWaalsContact O-N 3.13Å; H148-R182 CarbonylContact O-C 3.57Å; H148-F183 WeakPolarHBondContact O-CA 3.47Å; H148-C184 PolarHBondContact CD2-O 2.98Å; H148-E185 IonicContact NE2-OE2 3.4Å
149Y98.6Very high98.5Very high68 Ų6820.5 Ų20.527%0.26711%0.111SC..THydrogen-bonded Turntrans-86.8-19.7-176.8-68.8-105.2000112.9Q33 L37 D145 L146 F147 R182 F183Q33-Y149 HydrophobicContact CB-CD1 4.3Å; Q33-Y149 HydrophobicContact CB-CE1 4.41Å; Q33-Y149 HydrophobicContact CB-CG 4.38Å; Q33-Y149 HydrophobicContact CG-CD2 3.99Å; Q33-Y149 HydrophobicContact CG-CE2 4.14Å; Q33-Y149 HydrophobicContact CG-CG 4.26Å; L37-Y149 HydrophobicContact CB-CD1 4.44Å; L37-Y149 HydrophobicContact CD1-CD1 4.48Å; L37-Y149 HydrophobicContact CD1-CE1 4.27Å; D145-Y149 VanDerWaalsContact O-CD2 3.28Å; D145-Y149 WeakPolarHBondContact O-CD2 3.45Å; D145-Y149 WeakPolarHBondContact O-CE2 3.46Å; L146-Y149 WeakPolarHBondContact O-CB 3.2Å; L146-Y149 PolarHBondContact O-N 2.83Å; F147-Y149 PolarHBondContact O-N 2.83Å; Y149-R182 PolarHBondContact O-NE 2.99Å; Y149-R182 VanDerWaalsContact O-NE 3.1Å; Y149-F183 HydrophobicContact CD1-CD1 4.04Å; Y149-F183 AromaticContact CD1-CE1 3.69Å; Y149-F183 HydrophobicContact CD1-CE1 3.69Å; Y149-F183 HydrophobicContact CE1-CD1 4.33Å; Y149-F183 HydrophobicContact CE1-CE1 4.2Å; Y149-F183 HydrophobicContact CG-CD1 4.24Å; Y149-F183 HydrophobicContact CG-CE1 4.15Å
150M98.8Very high98.5Very high0 Ų020.5 Ų20.50%011%0.111CC..SBendtrans-64.3134.9-173.4-69.5-179.9169.900111.8F36 Y83 I94 R112 E116 F147 R182F36-M150 HydrophobicContact CE1-CG 4.3Å; F36-M150 HydrophobicContact CE2-CE 4.31Å; F36-M150 HydrophobicContact CE2-CG 4.1Å; F36-M150 HydrophobicContact CZ-CE 4.25Å; F36-M150 HydrophobicContact CZ-CG 3.96Å; Y83-M150 HydrophobicContact CD2-CE 4.38Å; Y83-M150 HydrophobicContact CE2-CE 4.06Å; Y83-M150 HydrophobicContact CE2-SD 4.15Å; I94-M150 HydrophobicContact CD1-CE 4.33Å; R112-M150 HydrophobicContact CB-CB 3.89Å; R112-M150 HydrophobicContact CG-CB 4.26Å; E116-M150 HydrophobicContact CB-SD 4.43Å; E116-M150 HydrophobicContact CG-SD 4.07Å; F147-M150 HydrophobicContact CD1-CE 3.77Å; F147-M150 HydrophobicContact CD1-SD 3.94Å; F147-M150 HydrophobicContact CE1-CE 4.14Å; F147-M150 PolarHBondContact O-N 3.48Å; M150-R182 WeakPolarHBondContact O-CD 3.37Å
151P98.8Very high98.5Very high1 Ų119.3 Ų19.31%0.00611%0.106CC..  trans-54.4151.2170.6-2634000113E39 V43 L111 R112E39-P151 HydrophobicContact CB-CG 4.09Å; E39-P151 WeakPolarHBondContact OE2-CG 3.49Å; V43-P151 HydrophobicContact CG1-CB 3.99Å; V43-P151 HydrophobicContact CG1-CG 3.76Å; L111-P151 CarbonylContact C-O 3.51Å; L111-P151 WeakPolarHBondContact CA-O 3.37Å; L111-P151 HydrophobicContact CD2-CB 3.95Å; R112-P151 PolarHBondContact N-O 2.83Å
152I98.9Very high98.6Very high0 Ų015.7 Ų15.70%09%0.09CC..SBendtrans-87.7-35.8-179.4-62.6177000110.9T41 L180 R182 F192 L195T41-I152 HydrophobicContact CG2-CB 4.11Å; T41-I152 HydrophobicContact CG2-CD1 3.66Å; T41-I152 HydrophobicContact CG2-CG1 3.9Å; T41-I152 PolarHBondContact O-N 3.24Å; I152-L180 HydrophobicContact CD1-CB 4.24Å; I152-L180 HydrophobicContact CD1-CD1 4.27Å; I152-R182 HydrophobicContact CD1-CB 3.84Å; I152-R182 HydrophobicContact CG1-CB 3.96Å; I152-F192 HydrophobicContact CD1-CD1 4.31Å; I152-F192 HydrophobicContact CD1-CD2 3.69Å; I152-F192 HydrophobicContact CD1-CE1 4.33Å; I152-F192 HydrophobicContact CD1-CE2 3.75Å; I152-F192 HydrophobicContact CD1-CG 4.02Å; I152-F192 HydrophobicContact CD1-CZ 4.06Å; I152-F192 HydrophobicContact CG1-CD2 4.15Å; I152-F192 HydrophobicContact CG1-CE2 3.77Å; I152-F192 HydrophobicContact CG1-CZ 4.14Å; I152-F192 HydrophobicContact CG2-CD2 4.37Å; I152-F192 HydrophobicContact CG2-CE2 4.42Å; I152-L195 HydrophobicContact CG2-CB 4.18Å; I152-L195 HydrophobicContact CG2-CD1 3.75Å
153A98.9Very high98.6Very high0 Ų013.5 Ų13.50%08%0.08CC..EExtended strand (participates in β ladder)trans-147.2169.2-175.600000112T41 V42 V43 L111 F161 C162 V163T41-A153 PolarHBondContact O-N 2.89Å; V42-A153 VanDerWaalsContact CA-O 3.3Å; V42-A153 WeakPolarHBondContact CA-O 3.4Å; V42-A153 HydrophobicContact CG1-CB 4.28Å; V42-A153 HydrophobicContact CG2-CB 4.23Å; V43-A153 PolarHBondContact N-O 3.43Å; L111-A153 WeakPolarHBondContact CD2-O 3.4Å; A153-F161 HydrophobicContact CB-CD2 4.46Å; A153-F161 HydrophobicContact CB-CE2 3.54Å; A153-F161 HydrophobicContact CB-CZ 3.84Å; A153-C162 CarbonylContact C-O 3.29Å; A153-C162 WeakPolarHBondContact CA-O 3.29Å; A153-C162 VanDerWaalsContact CB-O 3.26Å; A153-C162 WeakPolarHBondContact CB-O 3.49Å; A153-V163 HydrophobicContact CB-CB 4.49Å
154A98.9Very high98.6Very high0 Ų013.5 Ų13.50%08%0.08CC..EExtended strand (participates in β ladder)trans-131156.5167.400000111.2V43 L45 V78 L111 C162V43-A154 HydrophobicContact CG2-CB 3.44Å; V43-A154 VanDerWaalsContact CG2-CB 3.44Å; V43-A154 CarbonylContact O-C 3.44Å; V43-A154 VanDerWaalsContact O-CA 3.22Å; V43-A154 WeakPolarHBondContact O-CA 3.23Å; L45-A154 HydrophobicContact CD1-CB 4.03Å; V78-A154 HydrophobicContact CG1-CB 4.28Å; L111-A154 HydrophobicContact CD1-CB 4.22Å; L111-A154 HydrophobicContact CD2-CB 4.23Å; A154-C162 HydrophobicContact CB-CB 4.02Å; A154-C162 PolarHBondContact N-O 3.39Å; A154-C162 PolarHBondContact O-N 3.43Å
155V98.9Very high98.6Very high4 Ų413.4 Ų13.42%0.0248%0.079CC..EExtended strand (participates in β ladder)trans-121.8120.3166.7179.60000108.9V42 V43 L45 Y160 F161 I174V42-V155 HydrophobicContact CG1-CG2 3.78Å; V43-V155 PolarHBondContact O-N 2.96Å; L45-V155 PolarHBondContact N-O 3.11Å; V155-Y160 CarbonylContact C-O 3.46Å; V155-Y160 VanDerWaalsContact CA-O 3.29Å; V155-Y160 WeakPolarHBondContact CA-O 3.47Å; V155-F161 HydrophobicContact CG2-CD2 4.33Å; V155-I174 HydrophobicContact CG2-CD1 3.81Å; V155-I174 HydrophobicContact CG2-CG2 3.9Å
156V98.8Very high98.6Very high0 Ų010.4 Ų10.40%06%0.063CC..EExtended strand (participates in β ladder)trans-101.3128.1178.4-173.70000109.4L45 L49 G158 S159 Y160L45-V156 HydrophobicContact CB-CG2 4.35Å; L45-V156 CarbonylContact O-C 3.57Å; L45-V156 WeakPolarHBondContact O-CA 3.43Å; L49-V156 HydrophobicContact CD1-CG1 4.23Å; L49-V156 HydrophobicContact CD1-CG2 4.16Å; L49-V156 HydrophobicContact CD2-CB 4.44Å; L49-V156 HydrophobicContact CD2-CG1 3.7Å; L49-V156 HydrophobicContact CD2-CG2 3.89Å; L49-V156 HydrophobicContact CG-CG1 4.04Å; V156-G158 PolarHBondContact O-N 3.47Å; V156-S159 PolarHBondContact O-N 3.36Å; V156-Y160 HydrophobicContact CB-CD2 4.18Å; V156-Y160 HydrophobicContact CG1-CD2 4.4Å; V156-Y160 PolarHBondContact N-O 2.78Å; V156-Y160 PolarHBondContact O-N 2.8Å
157D98.4Very high98.6Very high34 Ų3410.5 Ų10.518%0.1826%0.063CC..THydrogen-bonded Turntrans55.622.3178.4-62-33.2000114.5L45 N46 S47 S159 P278L45-D157 PolarHBondContact O-N 3.27Å; N46-D157 WeakPolarHBondContact CA-OD1 3.29Å; S47-D157 WeakPolarHBondContact CB-OD2 3.38Å; S47-D157 PolarHBondContact N-OD1 3.07Å; S47-D157 VanDerWaalsContact OG-CG 3.27Å; S47-D157 PolarHBondContact OG-OD1 2.89Å; S47-D157 PolarHBondContact OG-OD2 3.27Å; D157-S159 PolarHBondContact O-N 2.88Å; D157-S159 VanDerWaalsContact O-N 3.1Å; D157-P278 HydrophobicContact CB-CB 4.07Å; D157-P278 HydrophobicContact CB-CG 3.87Å
158G97.6Very high98.6Very high48 Ų4810.6 Ų10.650%0.4956%0.064SC..THydrogen-bonded Turntrans6213-171.300000114.2V156V156-G158 PolarHBondContact O-N 3.47Å
159S97.5Very high98.6Very high25 Ų2510.7 Ų10.718%0.1757%0.068CC..THydrogen-bonded Turntrans-127-31-167.6-171.90000113.7V156 D157 I231 S232 M233V156-S159 PolarHBondContact O-N 3.36Å; D157-S159 PolarHBondContact O-N 2.88Å; D157-S159 VanDerWaalsContact O-N 3.1Å; S159-I231 WeakPolarHBondContact O-CB 3.41Å; S159-S232 PolarHBondContact O-N 3.4Å; S159-S232 PolarHBondContact O-OG 2.62Å; S159-S232 PolarHBondContact OG-OG 3.1Å; S159-M233 PolarHBondContact O-N 2.98Å
160Y98.7Very high98.5Very high4 Ų412.2 Ų12.22%0.0168%0.081CC..EExtended strand (participates in β ladder)trans-112.3119-179-53.3-80.4000110.3V155 V156 M233 V275 P278 Y281V155-Y160 CarbonylContact C-O 3.46Å; V155-Y160 VanDerWaalsContact CA-O 3.29Å; V155-Y160 WeakPolarHBondContact CA-O 3.47Å; V156-Y160 HydrophobicContact CB-CD2 4.18Å; V156-Y160 HydrophobicContact CG1-CD2 4.4Å; V156-Y160 PolarHBondContact N-O 2.78Å; V156-Y160 PolarHBondContact O-N 2.8Å; Y160-M233 WeakPolarHBondContact CA-O 3.4Å; Y160-M233 HydrophobicContact CD1-CB 3.89Å; Y160-M233 HydrophobicContact CD1-CG 4.47Å; Y160-M233 HydrophobicContact CD1-SD 4.15Å; Y160-M233 HydrophobicContact CE1-CB 4.22Å; Y160-M233 HydrophobicContact CE1-CE 4.45Å; Y160-M233 HydrophobicContact CE1-SD 4.24Å; Y160-V275 HydrophobicContact CD2-CG1 4.18Å; Y160-V275 HydrophobicContact CE2-CG1 3.74Å; Y160-P278 PolarHBondContact OH-O 3.42Å; Y160-Y281 HydrophobicContact CE1-CD1 4.11Å; Y160-Y281 HydrophobicContact CE1-CE1 4.43Å; Y160-Y281 WeakPolarHBondContact OH-CD1 3.15Å
161F98.8Very high98.5Very high0 Ų012.6 Ų12.60%08%0.083CC..EExtended strand (participates in β ladder)trans-90.7115.1172.4175.9-107.8000110A153 V155 V163 I174 I177 L195 F225 I231 M233 I234 C235A153-F161 HydrophobicContact CB-CD2 4.46Å; A153-F161 HydrophobicContact CB-CE2 3.54Å; A153-F161 HydrophobicContact CB-CZ 3.84Å; V155-F161 HydrophobicContact CG2-CD2 4.33Å; F161-V163 HydrophobicContact CD1-CB 4.45Å; F161-V163 HydrophobicContact CD1-CG1 4.21Å; F161-V163 HydrophobicContact CE1-CB 3.71Å; F161-V163 HydrophobicContact CE1-CG1 3.64Å; F161-V163 HydrophobicContact CE1-CG2 4.4Å; F161-V163 HydrophobicContact CZ-CB 3.94Å; F161-V163 HydrophobicContact CZ-CG1 4.36Å; F161-V163 HydrophobicContact CZ-CG2 4.35Å; F161-I174 HydrophobicContact CD2-CD1 4.09Å; F161-I174 HydrophobicContact CD2-CG1 3.95Å; F161-I174 HydrophobicContact CE2-CG1 4.22Å; F161-I177 HydrophobicContact CE2-CD1 3.93Å; F161-I177 HydrophobicContact CZ-CD1 3.65Å; F161-L195 HydrophobicContact CZ-CD2 4.44Å; F161-F225 HydrophobicContact CB-CE1 4.2Å; F161-F225 AromaticContact CD1-CE1 3.55Å; F161-F225 HydrophobicContact CD1-CE1 3.55Å; F161-F225 AromaticContact CD1-CZ 3.84Å; F161-F225 HydrophobicContact CD1-CZ 3.84Å; F161-F225 HydrophobicContact CD2-CE1 4.43Å; F161-F225 HydrophobicContact CD2-CZ 4.28Å; F161-F225 AromaticContact CE1-CE1 3.97Å; F161-F225 HydrophobicContact CE1-CE1 3.97Å; F161-F225 AromaticContact CE1-CZ 3.82Å; F161-F225 HydrophobicContact CE1-CZ 3.82Å; F161-F225 HydrophobicContact CE2-CZ 4.27Å; F161-F225 AromaticContact CG-CE1 3.8Å; F161-F225 HydrophobicContact CG-CE1 3.8Å; F161-F225 HydrophobicContact CG-CZ 4.07Å; F161-F225 HydrophobicContact CZ-CZ 4.05Å; F161-I231 HydrophobicContact CB-CD1 3.45Å; F161-I231 VanDerWaalsContact CB-CD1 3.45Å; F161-I231 HydrophobicContact CG-CD1 4.35Å; F161-M233 PolarHBondContact N-O 2.97Å; F161-I234 HydrophobicContact CD1-CG1 4.41Å; F161-I234 HydrophobicContact CD1-CG2 4.35Å; F161-I234 CarbonylContact O-C 3.4Å; F161-I234 WeakPolarHBondContact O-CA 3.33Å; F161-C235 PolarHBondContact O-N 3.2Å
162C99Very high98.4Very high0 Ų020.4 Ų20.40%011%0.112CC..EExtended strand (participates in β ladder)trans-103.3126.2-178.2-59.30000109.9I51 L80 L111 A153 A154 C235I51-C162 VanDerWaalsContact CD1-SG 3.54Å; L80-C162 HydrophobicContact CD2-CB 3.71Å; L111-C162 HydrophobicContact CD1-CB 4.17Å; A153-C162 CarbonylContact C-O 3.29Å; A153-C162 WeakPolarHBondContact CA-O 3.29Å; A153-C162 VanDerWaalsContact CB-O 3.26Å; A153-C162 WeakPolarHBondContact CB-O 3.49Å; A154-C162 HydrophobicContact CB-CB 4.02Å; A154-C162 PolarHBondContact N-O 3.39Å; A154-C162 PolarHBondContact O-N 3.43Å; C162-C235 VanDerWaalsContact CA-O 3.3Å; C162-C235 WeakPolarHBondContact CA-O 3.3Å
163V98.9Very high98.3Very high0 Ų023 Ų230%013%0.128CC..EExtended strand (participates in β ladder)trans-149.9156.1179670000108.9A153 F161 L195 C235 R236A153-V163 HydrophobicContact CB-CB 4.49Å; F161-V163 HydrophobicContact CD1-CB 4.45Å; F161-V163 HydrophobicContact CD1-CG1 4.21Å; F161-V163 HydrophobicContact CE1-CB 3.71Å; F161-V163 HydrophobicContact CE1-CG1 3.64Å; F161-V163 HydrophobicContact CE1-CG2 4.4Å; F161-V163 HydrophobicContact CZ-CB 3.94Å; F161-V163 HydrophobicContact CZ-CG1 4.36Å; F161-V163 HydrophobicContact CZ-CG2 4.35Å; V163-L195 HydrophobicContact CG2-CB 4.13Å; V163-L195 HydrophobicContact CG2-CD2 4.39Å; V163-L195 WeakPolarHBondContact CG2-O 3.18Å; V163-C235 PolarHBondContact N-O 3.04Å; V163-C235 VanDerWaalsContact N-O 3.09Å; V163-R236 HydrophobicContact CG1-CB 4.34Å; V163-R236 VanDerWaalsContact O-CA 3.28Å; V163-R236 WeakPolarHBondContact O-CA 3.28Å
164H98.9Very high98.3Very high0 Ų023.5 Ų23.50%013%0.131CC..SBendtrans-57.4-59176.3-17547.3000112D54 L80 D82 G113 N114 A237 H238D54-H164 IonicContact OD1-CE1 2.81Å; D54-H164 IonicContact OD2-CE1 3.4Å; L80-H164 VanDerWaalsContact O-CA 3.23Å; L80-H164 WeakPolarHBondContact O-CA 3.32Å; L80-H164 WeakPolarHBondContact O-CB 3.42Å; D82-H164 IonicContact OD1-CD2 3.72Å; D82-H164 IonicContact OD1-CE1 2.64Å; D82-H164 IonicContact OD1-NE2 3.98Å; D82-H164 PolarHBondContact OD1-NE2 3.15Å; D82-H164 VanDerWaalsContact OD1-NE2 3.08Å; D82-H164 IonicContact OD2-CE1 3.35Å; D82-H164 PolarHBondContact OD2-CE1 3.15Å; D82-H164 IonicContact OD2-NE2 3.43Å; D82-H164 PolarHBondContact OD2-NE2 2.86Å; G113-H164 VanDerWaalsContact CA-CD2 3.41Å; G113-H164 WeakPolarHBondContact CA-CD2 3.43Å; N114-H164 PolarHBondContact N-CD2 2.84Å; N114-H164 PolarHBondContact OD1-CD2 2.7Å; N114-H164 VanDerWaalsContact OD1-CD2 3.27Å; N114-H164 PolarHBondContact OD1-NE2 3.47Å; H164-A237 CarbonylContact O-C 3.52Å; H164-A237 WeakPolarHBondContact O-CA 3.09Å; H164-A237 PolarHBondContact O-N 3.48Å; H164-H238 AromaticContact CD2-ND1 3.72Å; H164-H238 AromaticContact NE2-CG 3.81Å; H164-H238 AromaticContact NE2-ND1 3.24Å; H164-H238 PolarHBondContact NE2-ND1 3.43Å
165A98.8Very high98.3Very high0 Ų027.5 Ų27.50%016%0.159CC..SBendtrans-108-75.4-173.100000112.5L195 V196 S198 R236 H238A165-L195 WeakPolarHBondContact CA-O 3.43Å; A165-L195 WeakPolarHBondContact CB-O 2.99Å; A165-L195 PolarHBondContact N-O 3.2Å; A165-L195 VanDerWaalsContact N-O 3.14Å; A165-V196 WeakPolarHBondContact CB-O 3.48Å; A165-S198 CarbonylContact C-O 3.49Å; A165-S198 VanDerWaalsContact C-O 3.29Å; A165-S198 WeakPolarHBondContact CB-O 3.28Å; A165-R236 VanDerWaalsContact C-NH2 3.25Å; A165-R236 VanDerWaalsContact O-CB 3.23Å; A165-R236 WeakPolarHBondContact O-CB 3.5Å; A165-R236 WeakPolarHBondContact O-CG 3.07Å; A165-R236 PolarHBondContact O-NE 3.02Å; A165-R236 PolarHBondContact O-NH2 3.28Å; A165-H238 HydrophobicContact CB-CB 4.05Å
166G98.4Very high98.3Very high0 Ų029.1 Ų29.10%017%0.173CC..  trans-161.8-160.2-165.900000114.6L195 S198G166-L195 PolarHBondContact N-O 3.32Å; G166-L195 VanDerWaalsContact O-CD2 3.3Å; G166-L195 WeakPolarHBondContact O-CD2 3.43Å; G166-S198 PolarHBondContact N-O 3.05Å
167I98.7Very high98.3Very high2 Ų229.1 Ų29.11%0.0117%0.173CC..  trans-98.5164.5175.160.3169.5000110.1S198 F206 F217 A221 F225 I234I167-S198 WeakPolarHBondContact O-CB 3.3Å; I167-S198 PolarHBondContact O-OG 3.49Å; I167-F206 HydrophobicContact CD1-CE1 4.37Å; I167-F206 HydrophobicContact CD1-CZ 3.89Å; I167-F206 HydrophobicContact CG1-CE1 4.05Å; I167-F206 HydrophobicContact CG1-CZ 3.98Å; I167-F217 HydrophobicContact CD1-CB 4.41Å; I167-F217 HydrophobicContact CD1-CD2 3.76Å; I167-F217 HydrophobicContact CD1-CE2 4.26Å; I167-F217 HydrophobicContact CD1-CG 4.15Å; I167-F217 HydrophobicContact CG1-CB 4.15Å; I167-F217 HydrophobicContact CG1-CD1 4.05Å; I167-F217 HydrophobicContact CG1-CD2 3.6Å; I167-F217 HydrophobicContact CG1-CE1 4.34Å; I167-F217 HydrophobicContact CG1-CE2 3.93Å; I167-F217 HydrophobicContact CG1-CG 3.66Å; I167-F217 HydrophobicContact CG1-CZ 4.29Å; I167-A221 HydrophobicContact CD1-CB 3.88Å; I167-F225 HydrophobicContact CB-CD2 4.4Å; I167-F225 HydrophobicContact CB-CG 4.43Å; I167-F225 HydrophobicContact CD1-CB 4.08Å; I167-F225 HydrophobicContact CG2-CB 4.27Å; I167-F225 HydrophobicContact CG2-CD1 3.72Å; I167-F225 HydrophobicContact CG2-CD2 3.96Å; I167-F225 HydrophobicContact CG2-CE1 3.97Å; I167-F225 HydrophobicContact CG2-CE2 4.2Å; I167-F225 HydrophobicContact CG2-CG 3.7Å; I167-F225 HydrophobicContact CG2-CZ 4.21Å; I167-I234 HydrophobicContact CG2-CD1 3.78Å
168S98.6Very high98.3Very high3 Ų330 Ų302%0.02118%0.177CC..BIsolated β-bridgetrans-124.2141.1-174.8171.20000110.9N170 V171 D194S168-N170 PolarHBondContact O-N 3.22Å; S168-N170 WeakPolarHBondContact OG-CB 3.14Å; S168-N170 PolarHBondContact OG-N 2.97Å; S168-V171 VanDerWaalsContact O-O 3.05Å; S168-V171 PolarHBondContact OG-N 3.49Å; S168-D194 VanDerWaalsContact CB-CB 3.47Å; S168-D194 WeakPolarHBondContact OG-CB 3.42Å; S168-D194 PolarHBondContact OG-OD2 2.87Å
169P97.9Very high98.3Very high36 Ų3632.2 Ų32.223%0.23419%0.186CC..THydrogen-bonded Turntrans-69.2-20.9168.329.1-32.1000112.3F206 W215P169-F206 HydrophobicContact CB-CD1 4.24Å; P169-F206 HydrophobicContact CB-CD2 3.84Å; P169-F206 HydrophobicContact CB-CE1 4.35Å; P169-F206 HydrophobicContact CB-CE2 3.97Å; P169-F206 HydrophobicContact CB-CG 3.97Å; P169-F206 HydrophobicContact CB-CZ 4.22Å; P169-F206 HydrophobicContact CG-CD1 4.12Å; P169-F206 HydrophobicContact CG-CE1 4.37Å; P169-F206 HydrophobicContact CG-CG 4.21Å; P169-W215 VanDerWaalsContact CD-CD1 3.45Å; P169-W215 HydrophobicContact CG-CD2 3.83Å; P169-W215 HydrophobicContact CG-CG 3.96Å; P169-W215 HydrophobicContact CG-CZ2 4.09Å
170N97.3Very high98.4Very high100 Ų10033 Ų3354%0.53519%0.188SC..THydrogen-bonded Turntrans-85.5-14.8-177.4-63.3-59.8000113.4S168 A191 D194S168-N170 PolarHBondContact O-N 3.22Å; S168-N170 WeakPolarHBondContact OG-CB 3.14Å; S168-N170 PolarHBondContact OG-N 2.97Å; N170-A191 HydrophobicContact CB-CB 4.08Å; N170-D194 PolarHBondContact ND2-OD2 3.22Å
171V97.6Very high98.3Very high8 Ų838 Ų385%0.04821%0.214CC..BIsolated β-bridgetrans-145.3116.2176.165.10000111.3S168 A176 I177 A191 L195S168-V171 VanDerWaalsContact O-O 3.05Å; S168-V171 PolarHBondContact OG-N 3.49Å; V171-A176 HydrophobicContact CG2-CB 3.45Å; V171-A176 VanDerWaalsContact CG2-CB 3.45Å; V171-I177 HydrophobicContact CB-CG1 4.34Å; V171-I177 HydrophobicContact CG1-CD1 4.46Å; V171-I177 HydrophobicContact CG1-CG1 3.76Å; V171-I177 HydrophobicContact CG2-CB 4.47Å; V171-I177 HydrophobicContact CG2-CG1 3.62Å; V171-A191 HydrophobicContact CB-CB 3.89Å; V171-A191 HydrophobicContact CG1-CB 3.6Å; V171-L195 HydrophobicContact CG1-CD1 4.3Å; V171-L195 HydrophobicContact CG1-CG 4.5Å
172R96.1Very high98.3Very high164 Ų16438.4 Ų38.462%0.61922%0.216SC*.  trans-101.3-20.7-171-61.7-175.3-176.7-179.90.1114.7F225 N229R172-F225 VanDerWaalsContact O-CD2 3.24Å; R172-F225 WeakPolarHBondContact O-CD2 3.42Å; R172-F225 WeakPolarHBondContact O-CE2 3.24Å; R172-N229 PolarHBondContact O-ND2 2.91Å
173T98.4Very high98.2Very high54 Ų5442.3 Ų42.333%0.33123%0.233SC..SBendtrans-118.5145.1-176.768.80000111.4S175 A176 I177 N229T173-S175 PolarHBondContact O-N 3.04Å; T173-A176 PolarHBondContact O-N 3.32Å; T173-A176 WeakPolarHBondContact OG1-CB 3.34Å; T173-A176 PolarHBondContact OG1-N 3.47Å; T173-I177 WeakPolarHBondContact O-CG1 3.36Å; T173-I177 PolarHBondContact O-N 3.39Å; T173-N229 WeakPolarHBondContact CA-OD1 3.16Å
174I98.6Very high98.2Very high12 Ų1244.1 Ų44.16%0.06225%0.245CC..Hα-helixtrans-57.9-36174.6-66.2169.1000110.6V42 V155 F161 A176 I177 N178 F225 N229 I231V42-I174 HydrophobicContact CB-CG2 4.38Å; V42-I174 HydrophobicContact CG1-CG2 3.84Å; V42-I174 HydrophobicContact CG2-CG2 4.31Å; V155-I174 HydrophobicContact CG2-CD1 3.81Å; V155-I174 HydrophobicContact CG2-CG2 3.9Å; F161-I174 HydrophobicContact CD2-CD1 4.09Å; F161-I174 HydrophobicContact CD2-CG1 3.95Å; F161-I174 HydrophobicContact CE2-CG1 4.22Å; I174-A176 VanDerWaalsContact C-N 3.31Å; I174-A176 PolarHBondContact O-N 2.92Å; I174-I177 PolarHBondContact O-N 3.16Å; I174-N178 WeakPolarHBondContact O-CB 3.4Å; I174-N178 PolarHBondContact O-N 2.84Å; I174-F225 HydrophobicContact CG1-CZ 4.14Å; I174-N229 HydrophobicContact CD1-CB 3.79Å; I174-N229 HydrophobicContact CG1-CB 4.16Å; I174-N229 WeakPolarHBondContact CG1-OD1 3.39Å; I174-N229 PolarHBondContact N-OD1 3.17Å; I174-I231 HydrophobicContact CD1-CD1 4.29Å; I174-I231 HydrophobicContact CD1-CG2 4.05Å
175S98.4Very high98.1Very high83 Ų8346.6 Ų46.658%0.5826%0.257SS*.Hα-helixtrans-61.6-39.7174.7-171.70000112.4T173 N178 S179T173-S175 PolarHBondContact O-N 3.04Å; S175-N178 PolarHBondContact O-N 2.9Å; S175-S179 PolarHBondContact O-N 3.44Å; S175-S179 PolarHBondContact O-OG 2.86Å
176A98.5Very high98.1Very high39 Ų3947.4 Ų47.432%0.32226%0.261SS..Hα-helixtrans-73.1-35.3177.200000111.3V171 T173 I174 N178 S179V171-A176 HydrophobicContact CG2-CB 3.45Å; V171-A176 VanDerWaalsContact CG2-CB 3.45Å; T173-A176 PolarHBondContact O-N 3.32Å; T173-A176 WeakPolarHBondContact OG1-CB 3.34Å; T173-A176 PolarHBondContact OG1-N 3.47Å; I174-A176 VanDerWaalsContact C-N 3.31Å; I174-A176 PolarHBondContact O-N 2.92Å; A176-N178 VanDerWaalsContact C-N 3.31Å; A176-N178 PolarHBondContact O-N 2.84Å; A176-S179 WeakPolarHBondContact O-CB 3.45Å; A176-S179 PolarHBondContact O-N 2.81Å; A176-S179 VanDerWaalsContact O-N 3.11Å
177I98.8Very high98Very high0 Ų050 Ų500%028%0.278CS..Hα-helixtrans-59.6-44170.6-62.2172.7000110.2V42 F161 V171 T173 I174 S179 L180 L195 F225V42-I177 HydrophobicContact CG2-CB 4.08Å; V42-I177 HydrophobicContact CG2-CG2 3.63Å; F161-I177 HydrophobicContact CE2-CD1 3.93Å; F161-I177 HydrophobicContact CZ-CD1 3.65Å; V171-I177 HydrophobicContact CB-CG1 4.34Å; V171-I177 HydrophobicContact CG1-CD1 4.46Å; V171-I177 HydrophobicContact CG1-CG1 3.76Å; V171-I177 HydrophobicContact CG2-CB 4.47Å; V171-I177 HydrophobicContact CG2-CG1 3.62Å; T173-I177 WeakPolarHBondContact O-CG1 3.36Å; T173-I177 PolarHBondContact O-N 3.39Å; I174-I177 PolarHBondContact O-N 3.16Å; I177-S179 PolarHBondContact O-N 3.31Å; I177-S179 VanDerWaalsContact O-N 3.14Å; I177-L180 HydrophobicContact CG2-CD1 4.31Å; I177-L180 WeakPolarHBondContact O-CB 3.12Å; I177-L180 VanDerWaalsContact O-CG 3.31Å; I177-L180 WeakPolarHBondContact O-CG 3.24Å; I177-L180 PolarHBondContact O-N 2.87Å; I177-L195 HydrophobicContact CD1-CD1 4.4Å; I177-L195 HydrophobicContact CD1-CD2 3.88Å; I177-L195 HydrophobicContact CG1-CD1 4.16Å; I177-L195 HydrophobicContact CG1-CD2 4.44Å; I177-L195 HydrophobicContact CG2-CD1 3.73Å; I177-F225 HydrophobicContact CD1-CE2 4.12Å; I177-F225 HydrophobicContact CD1-CZ 4.13Å
178N98.6Very high97.9Very high51 Ų5158.4 Ų58.427%0.27332%0.317SS..THydrogen-bonded Turntrans-64.7-17.9178.6-162.755.6000113.6T41 V42 I174 S175 A176T41-N178 PolarHBondContact N-OD1 2.72Å; V42-N178 HydrophobicContact CB-CB 4.21Å; V42-N178 HydrophobicContact CG2-CB 3.88Å; V42-N178 PolarHBondContact N-OD1 2.68Å; I174-N178 WeakPolarHBondContact O-CB 3.4Å; I174-N178 PolarHBondContact O-N 2.84Å; S175-N178 PolarHBondContact O-N 2.9Å; A176-N178 VanDerWaalsContact C-N 3.31Å; A176-N178 PolarHBondContact O-N 2.84Å
179S98.4Very high97.8Very high96 Ų9663.8 Ų63.867%0.67135%0.35SS*.THydrogen-bonded Turntrans-91.6-0.8177.8-53.30000113.1S175 A176 I177S175-S179 PolarHBondContact O-N 3.44Å; S175-S179 PolarHBondContact O-OG 2.86Å; A176-S179 WeakPolarHBondContact O-CB 3.45Å; A176-S179 PolarHBondContact O-N 2.81Å; A176-S179 VanDerWaalsContact O-N 3.11Å; I177-S179 PolarHBondContact O-N 3.31Å; I177-S179 VanDerWaalsContact O-N 3.14Å
180L98.4Very high97.8Very high42 Ų4263.2 Ų63.222%0.2235%0.351CS..SBendtrans-68.7140.7173.9-63.5175.4000110.3I152 I177 R182 A191 L195I152-L180 HydrophobicContact CD1-CB 4.24Å; I152-L180 HydrophobicContact CD1-CD1 4.27Å; I177-L180 HydrophobicContact CG2-CD1 4.31Å; I177-L180 WeakPolarHBondContact O-CB 3.12Å; I177-L180 VanDerWaalsContact O-CG 3.31Å; I177-L180 WeakPolarHBondContact O-CG 3.24Å; I177-L180 PolarHBondContact O-N 2.87Å; L180-R182 PolarHBondContact O-N 3.34Å; L180-R182 VanDerWaalsContact O-N 3.13Å; L180-A191 HydrophobicContact CD1-CB 4.19Å; L180-A191 HydrophobicContact CD2-CB 3.93Å; L180-L195 HydrophobicContact CD1-CD1 3.72Å
181D97.9Very high97.8Very high107 Ų10759.2 Ų59.257%0.57233%0.331SS*.  trans-72.8102.6167.3-179.914.7000109.4F183 C184D181-F183 PolarHBondContact OD1-N 3.49Å; D181-C184 PolarHBondContact O-SG 3.29Å
182R97.8Very high97.9Very high9 Ų959.3 Ų59.33%0.03433%0.331CS..  trans-80.8-18177.675177.7-170.1-103.34.5113.6F36 E39 D40 T41 R112 H148 Y149 M150 I152 L180 C184F36-R182 PolarHBondContact O-NH2 3.48Å; E39-R182 VanDerWaalsContact O-CZ 3.26Å; E39-R182 PolarHBondContact O-NH1 3.38Å; E39-R182 PolarHBondContact O-NH2 3.33Å; D40-R182 PolarHBondContact O-NH1 3.28Å; T41-R182 VanDerWaalsContact CA-NH1 3.34Å; T41-R182 HydrophobicContact CG2-CB 4.14Å; T41-R182 WeakPolarHBondContact OG1-CD 3.32Å; T41-R182 PolarHBondContact OG1-NH1 2.92Å; T41-R182 VanDerWaalsContact OG1-NH1 3.09Å; R112-R182 PolarHBondContact NH1-O 3.35Å; R112-R182 VanDerWaalsContact NH1-O 3.15Å; H148-R182 CarbonylContact O-C 3.57Å; Y149-R182 PolarHBondContact O-NE 2.99Å; Y149-R182 VanDerWaalsContact O-NE 3.1Å; M150-R182 WeakPolarHBondContact O-CD 3.37Å; I152-R182 HydrophobicContact CD1-CB 3.84Å; I152-R182 HydrophobicContact CG1-CB 3.96Å; L180-R182 PolarHBondContact O-N 3.34Å; L180-R182 VanDerWaalsContact O-N 3.13Å; R182-C184 PolarHBondContact O-N 2.97Å
183F98Very high98Very high83 Ų8351.5 Ų51.536%0.36430%0.302SS..SBendtrans-81.440.8-172.7-59.5-79.5000113L37 H148 Y149 D181L37-F183 HydrophobicContact CD1-CE1 4.24Å; L37-F183 HydrophobicContact CD1-CZ 4.22Å; H148-F183 WeakPolarHBondContact O-CA 3.47Å; Y149-F183 HydrophobicContact CD1-CD1 4.04Å; Y149-F183 AromaticContact CD1-CE1 3.69Å; Y149-F183 HydrophobicContact CD1-CE1 3.69Å; Y149-F183 HydrophobicContact CE1-CD1 4.33Å; Y149-F183 HydrophobicContact CE1-CE1 4.2Å; Y149-F183 HydrophobicContact CG-CD1 4.24Å; Y149-F183 HydrophobicContact CG-CE1 4.15Å; D181-F183 PolarHBondContact OD1-N 3.49Å
184C97.8Very high98Very high37 Ų3749.1 Ų49.125%0.2529%0.287CS..SBendtrans-134.8168.4-17865.20000111.3R112 H148 D181 R182R112-C184 PolarHBondContact NH1-O 2.84Å; R112-C184 PolarHBondContact NH2-O 2.85Å; R112-C184 VanDerWaalsContact NH2-O 3.1Å; H148-C184 PolarHBondContact CD2-O 2.98Å; D181-C184 PolarHBondContact O-SG 3.29Å; R182-C184 PolarHBondContact O-N 2.97Å
185E97.9Very high98Very high52 Ų5248.5 Ų48.524%0.24328%0.284CS..PPolyproline II helixtrans-64.3147.2164.1-168.863.1-95.900109.3R112 C117 R118 H148 P187R112-E185 IonicContact NH2-OE1 2.74Å; C117-E185 VanDerWaalsContact CA-OE1 3.3Å; C117-E185 WeakPolarHBondContact CA-OE1 3.14Å; C117-E185 WeakPolarHBondContact CB-OE1 3.13Å; R118-E185 VanDerWaalsContact CB-OE2 3.24Å; R118-E185 WeakPolarHBondContact CB-OE2 3.33Å; R118-E185 VanDerWaalsContact CD-OE2 3.24Å; R118-E185 WeakPolarHBondContact CD-OE2 3.28Å; R118-E185 WeakPolarHBondContact CG-OE2 3.43Å; R118-E185 PolarHBondContact N-OE1 3.31Å; R118-E185 VanDerWaalsContact N-OE1 3.15Å; R118-E185 PolarHBondContact N-OE2 2.94Å; R118-E185 IonicContact NE-OE2 2.76Å; R118-E185 PolarHBondContact NE-OE2 3.03Å; H148-E185 IonicContact NE2-OE2 3.4Å; E185-P187 WeakPolarHBondContact O-CD 3.48Å; E185-P187 VanDerWaalsContact O-N 3.15Å
186I98Very high98Very high17 Ų1744.6 Ų44.69%0.08726%0.256CS..PPolyproline II helixtrans-62.2119.5178.5-56.9-176.5000108.6G113 C117 F192 V196G113-I186 WeakPolarHBondContact O-CD1 3.46Å; C117-I186 HydrophobicContact CB-CB 4.15Å; C117-I186 HydrophobicContact CB-CD1 3.63Å; C117-I186 HydrophobicContact CB-CG1 3.76Å; I186-F192 HydrophobicContact CG1-CE1 4.42Å; I186-F192 HydrophobicContact CG1-CE2 4.34Å; I186-F192 HydrophobicContact CG1-CZ 3.99Å; I186-V196 HydrophobicContact CD1-CG2 4.11Å; I186-V196 HydrophobicContact CG2-CG2 3.79Å
187P97.2Very high98Very high55 Ų5544.8 Ų44.836%0.35725%0.249SC..PPolyproline II helixtrans-62.7158.8178.4-23.134.9000111.9E185 T189 A193E185-P187 WeakPolarHBondContact O-CD 3.48Å; E185-P187 VanDerWaalsContact O-N 3.15Å; P187-T189 VanDerWaalsContact C-N 3.29Å; P187-T189 WeakPolarHBondContact CB-O 3.43Å; P187-T189 PolarHBondContact O-N 3.12Å; P187-A193 WeakPolarHBondContact O-CB 3.49Å
188Q94.8Very high98Very high179 Ų17944.8 Ų44.884%0.83625%0.249SC*.SBendtrans-69.9-28174.4-68.6-178.5-26.200112.8
189T96.9Very high98Very high115 Ų11542.7 Ų42.771%0.70624%0.238SC*.SBendtrans-144.6164-178.560.70000111P187P187-T189 VanDerWaalsContact C-N 3.29Å; P187-T189 WeakPolarHBondContact CB-O 3.43Å; P187-T189 PolarHBondContact O-N 3.12Å
190G97.7Very high98Very high25 Ų2538.3 Ų38.326%0.25821%0.207SC..SBendtrans98.7180175.900000113.1F192 A193 D194G190-F192 VanDerWaalsContact C-N 3.32Å; G190-F192 PolarHBondContact O-N 3.2Å; G190-F192 VanDerWaalsContact O-N 3.13Å; G190-A193 WeakPolarHBondContact O-CB 3.28Å; G190-A193 PolarHBondContact O-N 3.33Å; G190-D194 PolarHBondContact O-N 2.94Å
191A98.3Very high98Very high15 Ų1540.7 Ų40.712%0.12422%0.217CC..Hα-helixtrans-48.7-46.8-167.800000114.6N170 V171 L180 D194 L195N170-A191 HydrophobicContact CB-CB 4.08Å; V171-A191 HydrophobicContact CB-CB 3.89Å; V171-A191 HydrophobicContact CG1-CB 3.6Å; L180-A191 HydrophobicContact CD1-CB 4.19Å; L180-A191 HydrophobicContact CD2-CB 3.93Å; A191-D194 PolarHBondContact O-N 2.82Å; A191-L195 VanDerWaalsContact O-CG 3.23Å; A191-L195 WeakPolarHBondContact O-CG 3.44Å; A191-L195 PolarHBondContact O-N 2.74Å
192F98.5Very high98Very high10 Ų1042.7 Ų42.74%0.04422%0.223CC..Hα-helixtrans-66.2-47.1179.9-173.5-174.5000111.6I152 I186 G190 D194 L195 V196I152-F192 HydrophobicContact CD1-CD1 4.31Å; I152-F192 HydrophobicContact CD1-CD2 3.69Å; I152-F192 HydrophobicContact CD1-CE1 4.33Å; I152-F192 HydrophobicContact CD1-CE2 3.75Å; I152-F192 HydrophobicContact CD1-CG 4.02Å; I152-F192 HydrophobicContact CD1-CZ 4.06Å; I152-F192 HydrophobicContact CG1-CD2 4.15Å; I152-F192 HydrophobicContact CG1-CE2 3.77Å; I152-F192 HydrophobicContact CG1-CZ 4.14Å; I152-F192 HydrophobicContact CG2-CD2 4.37Å; I152-F192 HydrophobicContact CG2-CE2 4.42Å; I186-F192 HydrophobicContact CG1-CE1 4.42Å; I186-F192 HydrophobicContact CG1-CE2 4.34Å; I186-F192 HydrophobicContact CG1-CZ 3.99Å; G190-F192 VanDerWaalsContact C-N 3.32Å; G190-F192 PolarHBondContact O-N 3.2Å; G190-F192 VanDerWaalsContact O-N 3.13Å; F192-D194 VanDerWaalsContact C-N 3.26Å; F192-D194 PolarHBondContact O-N 2.76Å; F192-L195 PolarHBondContact O-N 2.83Å; F192-V196 HydrophobicContact CD2-CG1 4.28Å; F192-V196 HydrophobicContact CE2-CG1 4.02Å; F192-V196 PolarHBondContact O-N 3.16Å
193A98.5Very high98Very high0 Ų043.3 Ų43.30%023%0.227CC..Hα-helixtrans-56.1-44.6175.100000111.1P187 G190 L195 V196 W197P187-A193 WeakPolarHBondContact O-CB 3.49Å; G190-A193 WeakPolarHBondContact O-CB 3.28Å; G190-A193 PolarHBondContact O-N 3.33Å; A193-L195 PolarHBondContact O-N 3.47Å; A193-V196 WeakPolarHBondContact O-CG2 3.28Å; A193-V196 PolarHBondContact O-N 3.2Å; A193-W197 WeakPolarHBondContact O-CB 3.34Å; A193-W197 VanDerWaalsContact O-CD1 3.24Å; A193-W197 PolarHBondContact O-N 3.04Å
194D98.7Very high97.8Very high4 Ų448.3 Ų48.32%0.02125%0.249CC..Hα-helixtrans-61.3-43-179.9-56.4-24.7000112.1S168 N170 G190 A191 F192 V196 W197 S198 W215S168-D194 VanDerWaalsContact CB-CB 3.47Å; S168-D194 WeakPolarHBondContact OG-CB 3.42Å; S168-D194 PolarHBondContact OG-OD2 2.87Å; N170-D194 PolarHBondContact ND2-OD2 3.22Å; G190-D194 PolarHBondContact O-N 2.94Å; A191-D194 PolarHBondContact O-N 2.82Å; F192-D194 VanDerWaalsContact C-N 3.26Å; F192-D194 PolarHBondContact O-N 2.76Å; D194-V196 PolarHBondContact O-N 3.4Å; D194-W197 PolarHBondContact O-N 3.26Å; D194-S198 WeakPolarHBondContact CA-OG 3.35Å; D194-S198 WeakPolarHBondContact O-CB 3.43Å; D194-S198 PolarHBondContact O-N 2.93Å; D194-S198 PolarHBondContact O-OG 3.1Å; D194-W215 VanDerWaalsContact CG-CD1 3.45Å; D194-W215 VanDerWaalsContact OD1-CD1 3.22Å; D194-W215 PolarHBondContact OD1-NE1 3.42Å
195L98.9Very high97.8Very high0 Ų049.2 Ų49.20%025%0.251CS..Hα-helixtrans-62.9-27.3-178.5-69.8167.1000113I152 F161 V163 A165 G166 V171 I177 L180 A191 F192 A193I152-L195 HydrophobicContact CG2-CB 4.18Å; I152-L195 HydrophobicContact CG2-CD1 3.75Å; F161-L195 HydrophobicContact CZ-CD2 4.44Å; V163-L195 HydrophobicContact CG2-CB 4.13Å; V163-L195 HydrophobicContact CG2-CD2 4.39Å; V163-L195 WeakPolarHBondContact CG2-O 3.18Å; A165-L195 WeakPolarHBondContact CA-O 3.43Å; A165-L195 WeakPolarHBondContact CB-O 2.99Å; A165-L195 PolarHBondContact N-O 3.2Å; A165-L195 VanDerWaalsContact N-O 3.14Å; G166-L195 PolarHBondContact N-O 3.32Å; G166-L195 VanDerWaalsContact O-CD2 3.3Å; G166-L195 WeakPolarHBondContact O-CD2 3.43Å; V171-L195 HydrophobicContact CG1-CD1 4.3Å; V171-L195 HydrophobicContact CG1-CG 4.5Å; I177-L195 HydrophobicContact CD1-CD1 4.4Å; I177-L195 HydrophobicContact CD1-CD2 3.88Å; I177-L195 HydrophobicContact CG1-CD1 4.16Å; I177-L195 HydrophobicContact CG1-CD2 4.44Å; I177-L195 HydrophobicContact CG2-CD1 3.73Å; L180-L195 HydrophobicContact CD1-CD1 3.72Å; A191-L195 VanDerWaalsContact O-CG 3.23Å; A191-L195 WeakPolarHBondContact O-CG 3.44Å; A191-L195 PolarHBondContact O-N 2.74Å; F192-L195 PolarHBondContact O-N 2.83Å; A193-L195 PolarHBondContact O-N 3.47Å
196V98.7Very high97.8Very high0 Ų048.7 Ų48.70%025%0.249CC..Hα-helixtrans-105.2-4.1-178.8-560000114.2N114 A165 I186 F192 A193 D194N114-V196 HydrophobicContact CB-CB 4.26Å; N114-V196 HydrophobicContact CB-CG2 4.21Å; N114-V196 WeakPolarHBondContact CB-O 3.31Å; A165-V196 WeakPolarHBondContact CB-O 3.48Å; I186-V196 HydrophobicContact CD1-CG2 4.11Å; I186-V196 HydrophobicContact CG2-CG2 3.79Å; F192-V196 HydrophobicContact CD2-CG1 4.28Å; F192-V196 HydrophobicContact CE2-CG1 4.02Å; F192-V196 PolarHBondContact O-N 3.16Å; A193-V196 WeakPolarHBondContact O-CG2 3.28Å; A193-V196 PolarHBondContact O-N 3.2Å; D194-V196 PolarHBondContact O-N 3.4Å
197W98.7Very high97.8Very high43 Ų4352.7 Ų52.716%0.16327%0.267CS..Hα-helixtrans-125.6-15.3179.3-73.8107.2000115.8N114 V120 A193 D194 R211 A213 H238N114-W197 HydrophobicContact CB-CD2 3.91Å; N114-W197 HydrophobicContact CB-CE3 4.35Å; N114-W197 HydrophobicContact CB-CG 4.45Å; N114-W197 HydrophobicContact CB-CH2 4.22Å; N114-W197 HydrophobicContact CB-CZ2 3.72Å; N114-W197 WeakPolarHBondContact ND2-CH2 3.44Å; N114-W197 WeakPolarHBondContact ND2-CZ2 3.47Å; N114-W197 WeakPolarHBondContact ND2-CZ3 3.26Å; V120-W197 HydrophobicContact CG2-CH2 4.01Å; V120-W197 HydrophobicContact CG2-CZ2 3.62Å; A193-W197 WeakPolarHBondContact O-CB 3.34Å; A193-W197 VanDerWaalsContact O-CD1 3.24Å; A193-W197 PolarHBondContact O-N 3.04Å; D194-W197 PolarHBondContact O-N 3.26Å; W197-R211 HydrophobicContact CE3-CB 4.44Å; W197-A213 HydrophobicContact CB-CB 4.09Å; W197-A213 HydrophobicContact CD2-CB 3.97Å; W197-A213 HydrophobicContact CG-CB 3.73Å; W197-H238 AromaticContact CE3-CE1 3.75Å; W197-H238 AromaticContact CE3-NE2 3.91Å
198S98.7Very high97.8Very high0 Ų058.2 Ų58.20%029%0.288CS..  trans-77.8143.6-172.6-57.50000113A165 G166 I167 D194 W215 R236A165-S198 CarbonylContact C-O 3.49Å; A165-S198 VanDerWaalsContact C-O 3.29Å; A165-S198 WeakPolarHBondContact CB-O 3.28Å; G166-S198 PolarHBondContact N-O 3.05Å; I167-S198 WeakPolarHBondContact O-CB 3.3Å; I167-S198 PolarHBondContact O-OG 3.49Å; D194-S198 WeakPolarHBondContact CA-OG 3.35Å; D194-S198 WeakPolarHBondContact O-CB 3.43Å; D194-S198 PolarHBondContact O-N 2.93Å; D194-S198 PolarHBondContact O-OG 3.1Å; S198-W215 CarbonylContact C-O 3.53Å; S198-W215 WeakPolarHBondContact CA-O 3.28Å; S198-W215 WeakPolarHBondContact CB-O 3.38Å; S198-W215 PolarHBondContact OG-N 2.9Å; S198-R236 PolarHBondContact O-NH2 3Å
199D98.8Very high97.9Very high7 Ų749.9 Ų49.94%0.03725%0.25CC..EExtended strand (participates in β ladder)trans-122139.9-175.9-82-31.4000113.1R211 W215 L216 F217 R236 H238 Q239D199-R211 IonicContact OD1-NH2 2.68Å; D199-R211 PolarHBondContact OD1-NH2 3.29Å; D199-R211 IonicContact OD2-CZ 2.62Å; D199-R211 IonicContact OD2-NE 3.69Å; D199-R211 PolarHBondContact OD2-NE 2.93Å; D199-R211 IonicContact OD2-NH2 2.72Å; D199-R211 PolarHBondContact OD2-NH2 2.97Å; D199-W215 PolarHBondContact N-O 3.44Å; D199-L216 HydrophobicContact CB-CD2 4.04Å; D199-L216 CarbonylContact O-C 3.1Å; D199-L216 VanDerWaalsContact O-CA 3.29Å; D199-L216 WeakPolarHBondContact O-CA 3.25Å; D199-F217 WeakPolarHBondContact O-CD1 3.48Å; D199-F217 PolarHBondContact O-N 3.39Å; D199-R236 IonicContact OD1-CZ 2.97Å; D199-R236 IonicContact OD1-NH1 3.3Å; D199-R236 PolarHBondContact OD1-NH1 3.03Å; D199-R236 IonicContact OD1-NH2 2.82Å; D199-R236 PolarHBondContact OD1-NH2 3.13Å; D199-H238 IonicContact OD1-CD2 3.31Å; D199-H238 PolarHBondContact OD1-CD2 2.89Å; D199-Q239 VanDerWaalsContact CG-CD 3.46Å; D199-Q239 VanDerWaalsContact CG-NE2 3.28Å; D199-Q239 VanDerWaalsContact OD1-CD 3.22Å; D199-Q239 WeakPolarHBondContact OD1-CG 3.46Å
200P98.5Very high97.9Very high5 Ų550 Ų503%0.03225%0.252CS..EExtended strand (participates in β ladder)trans-68.8137.4168.629.8-34.4000110.8F217 L248 W249 L253P200-F217 CarbonylContact C-O 3.42Å; P200-F217 VanDerWaalsContact CA-O 3.3Å; P200-F217 WeakPolarHBondContact CA-O 3.37Å; P200-F217 HydrophobicContact CB-CD2 4.5Å; P200-F217 HydrophobicContact CB-CE1 4.26Å; P200-F217 HydrophobicContact CB-CE2 3.86Å; P200-F217 HydrophobicContact CB-CZ 3.73Å; P200-F217 HydrophobicContact CG-CZ 4.2Å; P200-F217 VanDerWaalsContact N-CE1 3.26Å; P200-L248 HydrophobicContact CB-CD1 3.69Å; P200-L248 HydrophobicContact CG-CD1 3.89Å; P200-W249 HydrophobicContact CB-CH2 3.5Å; P200-W249 HydrophobicContact CB-CZ2 4.15Å; P200-W249 HydrophobicContact CB-CZ3 4.19Å; P200-L253 HydrophobicContact CB-CD1 4.06Å; P200-L253 HydrophobicContact CG-CD1 4.19Å; P200-L253 HydrophobicContact CG-CD2 4.1Å
201E97.8Very high97.8Very high91 Ų9153.6 Ų53.643%0.42526%0.258SS..  trans-152.9165.7177.3-168.750.3-87.100111.1V203 L216 F217 G218E201-V203 HydrophobicContact CB-CG1 4.34Å; E201-V203 HydrophobicContact CG-CG1 4.3Å; E201-V203 PolarHBondContact O-N 3.44Å; E201-L216 HydrophobicContact CB-CB 4.19Å; E201-L216 HydrophobicContact CB-CD1 4.4Å; E201-L216 HydrophobicContact CB-CD2 4.2Å; E201-L216 HydrophobicContact CB-CG 4.49Å; E201-L216 HydrophobicContact CG-CD1 4.25Å; E201-F217 PolarHBondContact N-O 3.49Å; E201-G218 WeakPolarHBondContact O-CA 3.49Å
202E97Very high97.7Very high150 Ų15056.3 Ų56.370%0.70129%0.287SS*.SBendtrans-74.659.1174.3-66.3-60.6145.400112.6
203V97.9Very high97.6Very high21 Ų2156.7 Ų56.713%0.12729%0.292CS..  trans-109.1161.6173.2-60.30000110.8E201 E207 L216 G218E201-V203 HydrophobicContact CB-CG1 4.34Å; E201-V203 HydrophobicContact CG-CG1 4.3Å; E201-V203 PolarHBondContact O-N 3.44Å; V203-E207 HydrophobicContact CB-CB 4.48Å; V203-E207 HydrophobicContact CB-CG 4.01Å; V203-E207 HydrophobicContact CG1-CB 4.14Å; V203-E207 VanDerWaalsContact CG1-CD 3.48Å; V203-E207 HydrophobicContact CG1-CG 3.99Å; V203-L216 HydrophobicContact CG1-CB 4.3Å; V203-L216 HydrophobicContact CG1-CD1 4.42Å; V203-L216 HydrophobicContact CG2-CB 4.32Å; V203-G218 VanDerWaalsContact CG2-N 3.35Å; V203-G218 VanDerWaalsContact O-CA 3.26Å; V203-G218 WeakPolarHBondContact O-CA 3.16Å
204K94.5Very high97.5Very high188 Ų18857.3 Ų57.382%0.81730%0.299SS*.SBendtrans-69.3-43.6-178-176.5-179.3177.1-176.30112.5
205D96.9Very high97.5Very high56 Ų5661.2 Ų61.230%0.29931%0.313SS..SBendtrans-142.9-96.4-175.7-156.847.6000112.2F217 G218 A221 R224D205-F217 CarbonylContact O-C 3.56Å; D205-F217 VanDerWaalsContact O-CA 3.29Å; D205-F217 WeakPolarHBondContact O-CA 3.29Å; D205-G218 PolarHBondContact O-N 3.5Å; D205-A221 PolarHBondContact OD1-N 2.83Å; D205-R224 IonicContact OD1-CZ 3.1Å; D205-R224 IonicContact OD1-NH1 2.76Å; D205-R224 PolarHBondContact OD1-NH1 2.56Å; D205-R224 IonicContact OD1-NH2 2.6Å; D205-R224 PolarHBondContact OD1-NH2 3.04Å; D205-R224 IonicContact OD2-CZ 3.99Å; D205-R224 IonicContact OD2-NH2 3.06Å; D205-R224 PolarHBondContact OD2-NH2 2.88Å
206F98.5Very high97.5Very high42 Ų4262.4 Ų62.418%0.18432%0.319CS..EExtended strand (participates in β ladder)trans-121.6137.8169.2-70.5-88000109.9I167 P169 W215 L216 F217 A221I167-F206 HydrophobicContact CD1-CE1 4.37Å; I167-F206 HydrophobicContact CD1-CZ 3.89Å; I167-F206 HydrophobicContact CG1-CE1 4.05Å; I167-F206 HydrophobicContact CG1-CZ 3.98Å; P169-F206 HydrophobicContact CB-CD1 4.24Å; P169-F206 HydrophobicContact CB-CD2 3.84Å; P169-F206 HydrophobicContact CB-CE1 4.35Å; P169-F206 HydrophobicContact CB-CE2 3.97Å; P169-F206 HydrophobicContact CB-CG 3.97Å; P169-F206 HydrophobicContact CB-CZ 4.22Å; P169-F206 HydrophobicContact CG-CD1 4.12Å; P169-F206 HydrophobicContact CG-CE1 4.37Å; P169-F206 HydrophobicContact CG-CG 4.21Å; F206-W215 HydrophobicContact CB-CD2 4.4Å; F206-W215 HydrophobicContact CB-CE3 3.89Å; F206-W215 HydrophobicContact CD1-CB 3.79Å; F206-W215 HydrophobicContact CD1-CG 4.18Å; F206-L216 CarbonylContact C-O 2.99Å; F206-L216 VanDerWaalsContact CA-O 3.24Å; F206-L216 WeakPolarHBondContact CA-O 3.08Å; F206-F217 HydrophobicContact CD1-CB 3.65Å; F206-F217 HydrophobicContact CE1-CB 3.53Å; F206-F217 HydrophobicContact CE1-CG 4.46Å; F206-F217 HydrophobicContact CZ-CB 4.29Å; F206-A221 HydrophobicContact CD2-CB 3.95Å; F206-A221 HydrophobicContact CE1-CB 4.39Å; F206-A221 HydrophobicContact CE2-CB 3.46Å; F206-A221 VanDerWaalsContact CE2-CB 3.46Å; F206-A221 HydrophobicContact CZ-CB 3.72Å
207E98.1Very high97.5Very high100 Ų10062.4 Ų62.447%0.46732%0.319SS..EExtended strand (participates in β ladder)trans-133.5159.4174.4-69.1-174.6-162.600110.7V203 S209 L216V203-E207 HydrophobicContact CB-CB 4.48Å; V203-E207 HydrophobicContact CB-CG 4.01Å; V203-E207 HydrophobicContact CG1-CB 4.14Å; V203-E207 VanDerWaalsContact CG1-CD 3.48Å; V203-E207 HydrophobicContact CG1-CG 3.99Å; E207-S209 PolarHBondContact O-N 3.46Å; E207-L216 HydrophobicContact CB-CB 4.33Å; E207-L216 PolarHBondContact N-O 2.89Å; E207-L216 PolarHBondContact O-N 2.89Å
208E97.1Very high97.5Very high171 Ų17160.3 Ų60.380%0.79931%0.312SS*.EExtended strand (participates in β ladder)trans-61.1132.1-179-172.1172.9-170.600110.8
209S97.7Very high97.5Very high5 Ų564.9 Ų64.94%0.03533%0.329CS..  trans-77.7133.1-179.6179.30000111.6E207 R211 G212 A213 G214E207-S209 PolarHBondContact O-N 3.46Å; S209-R211 PolarHBondContact O-N 3.26Å; S209-R211 WeakPolarHBondContact OG-CB 3.3Å; S209-R211 WeakPolarHBondContact OG-CG 3.33Å; S209-R211 PolarHBondContact OG-N 3.46Å; S209-G212 PolarHBondContact O-N 2.84Å; S209-G212 VanDerWaalsContact O-N 3.11Å; S209-A213 VanDerWaalsContact CB-O 3.25Å; S209-A213 WeakPolarHBondContact CB-O 3.26Å; S209-A213 PolarHBondContact OG-O 3.36Å; S209-G214 VanDerWaalsContact CB-O 3.31Å; S209-G214 WeakPolarHBondContact CB-O 3.11Å
210P96.7Very high97.5Very high116 Ų11665.8 Ų65.875%0.75334%0.339SS*.THydrogen-bonded Turntrans-66.2-817230.2-35.7000112.9G212P210-G212 PolarHBondContact O-N 3.18Å
211R95Very high97.5Very high101 Ų10165.7 Ų65.738%0.38134%0.339SS..THydrogen-bonded Turntrans-71.4-16.1172.9-59.6-174.6-179.7-106.410.5113.1W197 D199 S209 A213 H238W197-R211 HydrophobicContact CE3-CB 4.44Å; D199-R211 IonicContact OD1-NH2 2.68Å; D199-R211 PolarHBondContact OD1-NH2 3.29Å; D199-R211 IonicContact OD2-CZ 2.62Å; D199-R211 IonicContact OD2-NE 3.69Å; D199-R211 PolarHBondContact OD2-NE 2.93Å; D199-R211 IonicContact OD2-NH2 2.72Å; D199-R211 PolarHBondContact OD2-NH2 2.97Å; S209-R211 PolarHBondContact O-N 3.26Å; S209-R211 WeakPolarHBondContact OG-CB 3.3Å; S209-R211 WeakPolarHBondContact OG-CG 3.33Å; S209-R211 PolarHBondContact OG-N 3.46Å; R211-A213 PolarHBondContact O-N 2.78Å; R211-H238 PolarHBondContact NE-NE2 3.17Å; R211-H238 PolarHBondContact NH1-NE2 2.93Å; R211-H238 PolarHBondContact NH2-CD2 3.46Å; R211-H238 PolarHBondContact NH2-O 3.35Å
212G95.5Very high97.5Very high72 Ų7261.3 Ų61.374%0.74232%0.319SS*.SBendtrans75.95.8-171.700000114.1S209 P210S209-G212 PolarHBondContact O-N 2.84Å; S209-G212 VanDerWaalsContact O-N 3.11Å; P210-G212 PolarHBondContact O-N 3.18Å
213A96.7Very high97.6Very high18 Ų1857.3 Ų57.315%0.14930%0.3CS..SBendtrans-148.6151.4173.600000109.6W197 S209 R211W197-A213 HydrophobicContact CB-CB 4.09Å; W197-A213 HydrophobicContact CD2-CB 3.97Å; W197-A213 HydrophobicContact CG-CB 3.73Å; S209-A213 VanDerWaalsContact CB-O 3.25Å; S209-A213 WeakPolarHBondContact CB-O 3.26Å; S209-A213 PolarHBondContact OG-O 3.36Å; R211-A213 PolarHBondContact O-N 2.78Å
214G97.8Very high97.6Very high13 Ų1361 Ų6113%0.13431%0.311CS..SBendtrans64-161-174.900000113.5S209S209-G214 VanDerWaalsContact CB-O 3.31Å; S209-G214 WeakPolarHBondContact CB-O 3.11Å
215W98.5Very high97.8Very high86 Ų8652.4 Ų52.433%0.32627%0.274SS..EExtended strand (participates in β ladder)trans-133.2152.4-173.2-62.980.7000111.9P169 D194 S198 D199 F206P169-W215 VanDerWaalsContact CD-CD1 3.45Å; P169-W215 HydrophobicContact CG-CD2 3.83Å; P169-W215 HydrophobicContact CG-CG 3.96Å; P169-W215 HydrophobicContact CG-CZ2 4.09Å; D194-W215 VanDerWaalsContact CG-CD1 3.45Å; D194-W215 VanDerWaalsContact OD1-CD1 3.22Å; D194-W215 PolarHBondContact OD1-NE1 3.42Å; S198-W215 CarbonylContact C-O 3.53Å; S198-W215 WeakPolarHBondContact CA-O 3.28Å; S198-W215 WeakPolarHBondContact CB-O 3.38Å; S198-W215 PolarHBondContact OG-N 2.9Å; D199-W215 PolarHBondContact N-O 3.44Å; F206-W215 HydrophobicContact CB-CD2 4.4Å; F206-W215 HydrophobicContact CB-CE3 3.89Å; F206-W215 HydrophobicContact CD1-CB 3.79Å; F206-W215 HydrophobicContact CD1-CG 4.18Å
216L98.7Very high97.9Very high25 Ų2550.2 Ų50.213%0.13126%0.262CS..EExtended strand (participates in β ladder)trans-76.4138153-59.2-179.1000108.1D199 E201 V203 F206 E207D199-L216 HydrophobicContact CB-CD2 4.04Å; D199-L216 CarbonylContact O-C 3.1Å; D199-L216 VanDerWaalsContact O-CA 3.29Å; D199-L216 WeakPolarHBondContact O-CA 3.25Å; E201-L216 HydrophobicContact CB-CB 4.19Å; E201-L216 HydrophobicContact CB-CD1 4.4Å; E201-L216 HydrophobicContact CB-CD2 4.2Å; E201-L216 HydrophobicContact CB-CG 4.49Å; E201-L216 HydrophobicContact CG-CD1 4.25Å; V203-L216 HydrophobicContact CG1-CB 4.3Å; V203-L216 HydrophobicContact CG1-CD1 4.42Å; V203-L216 HydrophobicContact CG2-CB 4.32Å; F206-L216 CarbonylContact C-O 2.99Å; F206-L216 VanDerWaalsContact CA-O 3.24Å; F206-L216 WeakPolarHBondContact CA-O 3.08Å; E207-L216 HydrophobicContact CB-CB 4.33Å; E207-L216 PolarHBondContact N-O 2.89Å; E207-L216 PolarHBondContact O-N 2.89Å
217F98.7Very high97.9Very high0 Ų055.5 Ų55.50%029%0.288CS..EExtended strand (participates in β ladder)trans-131.7140.2175.769.2-90000112.7I167 D199 P200 E201 D205 F206 A221 A222 W249 L253I167-F217 HydrophobicContact CD1-CB 4.41Å; I167-F217 HydrophobicContact CD1-CD2 3.76Å; I167-F217 HydrophobicContact CD1-CE2 4.26Å; I167-F217 HydrophobicContact CD1-CG 4.15Å; I167-F217 HydrophobicContact CG1-CB 4.15Å; I167-F217 HydrophobicContact CG1-CD1 4.05Å; I167-F217 HydrophobicContact CG1-CD2 3.6Å; I167-F217 HydrophobicContact CG1-CE1 4.34Å; I167-F217 HydrophobicContact CG1-CE2 3.93Å; I167-F217 HydrophobicContact CG1-CG 3.66Å; I167-F217 HydrophobicContact CG1-CZ 4.29Å; D199-F217 WeakPolarHBondContact O-CD1 3.48Å; D199-F217 PolarHBondContact O-N 3.39Å; P200-F217 CarbonylContact C-O 3.42Å; P200-F217 VanDerWaalsContact CA-O 3.3Å; P200-F217 WeakPolarHBondContact CA-O 3.37Å; P200-F217 HydrophobicContact CB-CD2 4.5Å; P200-F217 HydrophobicContact CB-CE1 4.26Å; P200-F217 HydrophobicContact CB-CE2 3.86Å; P200-F217 HydrophobicContact CB-CZ 3.73Å; P200-F217 HydrophobicContact CG-CZ 4.2Å; P200-F217 VanDerWaalsContact N-CE1 3.26Å; E201-F217 PolarHBondContact N-O 3.49Å; D205-F217 CarbonylContact O-C 3.56Å; D205-F217 VanDerWaalsContact O-CA 3.29Å; D205-F217 WeakPolarHBondContact O-CA 3.29Å; F206-F217 HydrophobicContact CD1-CB 3.65Å; F206-F217 HydrophobicContact CE1-CB 3.53Å; F206-F217 HydrophobicContact CE1-CG 4.46Å; F206-F217 HydrophobicContact CZ-CB 4.29Å; F217-A221 HydrophobicContact CB-CB 4.25Å; F217-A222 HydrophobicContact CD2-CB 4.43Å; F217-A222 HydrophobicContact CE2-CB 4.41Å; F217-W249 HydrophobicContact CD2-CH2 4.06Å; F217-W249 HydrophobicContact CD2-CZ3 4.39Å; F217-W249 AromaticContact CE2-CH2 3.93Å; F217-W249 HydrophobicContact CE2-CH2 3.93Å; F217-W249 AromaticContact CE2-CZ3 3.99Å; F217-W249 HydrophobicContact CE2-CZ3 3.99Å; F217-L253 HydrophobicContact CE2-CD1 3.72Å; F217-L253 HydrophobicContact CZ-CD1 3.69Å
218G98.5Very high97.9Very high0 Ų055.1 Ų55.10%029%0.289CS..  trans-99.7176.3-175.400000114.4E201 V203 D205 G220 A221 A222E201-G218 WeakPolarHBondContact O-CA 3.49Å; V203-G218 VanDerWaalsContact CG2-N 3.35Å; V203-G218 VanDerWaalsContact O-CA 3.26Å; V203-G218 WeakPolarHBondContact O-CA 3.16Å; D205-G218 PolarHBondContact O-N 3.5Å; G218-G220 PolarHBondContact O-N 3.45Å; G218-A221 PolarHBondContact O-N 3.06Å; G218-A221 VanDerWaalsContact O-N 3.08Å; G218-A222 PolarHBondContact O-N 3.37Å
219R98.4Very high98Very high96 Ų9648.7 Ų48.736%0.36226%0.26SS..Hα-helixtrans-49.6-43.9175.7-178.5172.8177.4141.68.1112.7A221 A222 E223 W249 D250R219-A221 PolarHBondContact O-N 3.4Å; R219-A222 PolarHBondContact O-N 3.17Å; R219-E223 HydrophobicContact CG-CG 4.19Å; R219-E223 IonicContact CZ-OE1 3.96Å; R219-E223 VanDerWaalsContact CZ-OE1 3.31Å; R219-E223 IonicContact NE-OE1 2.62Å; R219-E223 PolarHBondContact NE-OE1 3.42Å; R219-E223 IonicContact NE-OE2 3.65Å; R219-E223 IonicContact NH2-OE1 3.7Å; R219-E223 PolarHBondContact NH2-OE1 2.9Å; R219-E223 WeakPolarHBondContact O-CB 3.42Å; R219-E223 WeakPolarHBondContact O-CG 3.04Å; R219-E223 PolarHBondContact O-N 3.35Å; R219-W249 HydrophobicContact CB-CD2 3.93Å; R219-W249 HydrophobicContact CB-CG 3.83Å; R219-W249 HydrophobicContact CG-CB 3.99Å; R219-W249 HydrophobicContact CG-CD2 4.25Å; R219-W249 HydrophobicContact CG-CG 3.78Å; R219-D250 IonicContact CZ-OD2 3.96Å; R219-D250 VanDerWaalsContact CZ-OD2 3.3Å; R219-D250 IonicContact NH1-OD2 3.73Å; R219-D250 PolarHBondContact NH1-OD2 3.4Å; R219-D250 VanDerWaalsContact NH1-OD2 3.07Å; R219-D250 IonicContact NH2-OD2 3.84Å; R219-D250 PolarHBondContact NH2-OD2 3.23Å
220G98.1Very high98Very high25 Ų2551.5 Ų51.526%0.25829%0.29SS..Hα-helixtrans-64.7-38.6-178.200000113.2G218 R224G218-G220 PolarHBondContact O-N 3.45Å; G220-R224 VanDerWaalsContact C-NH1 3.35Å; G220-R224 WeakPolarHBondContact O-CG 3.45Å; G220-R224 PolarHBondContact O-N 3.35Å; G220-R224 PolarHBondContact O-NH1 3.13Å; G220-R224 VanDerWaalsContact O-NH1 3.09Å
221A98.4Very high98Very high3 Ų346.8 Ų46.83%0.02526%0.258CS..Hα-helixtrans-67.7-44.7175.200000111.2I167 D205 F206 F217 G218 R219 R224 F225I167-A221 HydrophobicContact CD1-CB 3.88Å; D205-A221 PolarHBondContact OD1-N 2.83Å; F206-A221 HydrophobicContact CD2-CB 3.95Å; F206-A221 HydrophobicContact CE1-CB 4.39Å; F206-A221 HydrophobicContact CE2-CB 3.46Å; F206-A221 VanDerWaalsContact CE2-CB 3.46Å; F206-A221 HydrophobicContact CZ-CB 3.72Å; F217-A221 HydrophobicContact CB-CB 4.25Å; G218-A221 PolarHBondContact O-N 3.06Å; G218-A221 VanDerWaalsContact O-N 3.08Å; R219-A221 PolarHBondContact O-N 3.4Å; A221-R224 PolarHBondContact O-N 2.85Å; A221-F225 PolarHBondContact O-N 2.87Å
222A98.6Very high98.1Very high0 Ų044.7 Ų44.70%026%0.259CS..Hα-helixtrans-63.2-48.617800000112.5F217 G218 R219 R224 F225 L226 I234 W249F217-A222 HydrophobicContact CD2-CB 4.43Å; F217-A222 HydrophobicContact CE2-CB 4.41Å; G218-A222 PolarHBondContact O-N 3.37Å; R219-A222 PolarHBondContact O-N 3.17Å; A222-R224 VanDerWaalsContact C-N 3.31Å; A222-R224 PolarHBondContact O-N 2.85Å; A222-F225 PolarHBondContact O-N 3.38Å; A222-L226 VanDerWaalsContact O-CG 3.29Å; A222-L226 WeakPolarHBondContact O-CG 3.15Å; A222-L226 PolarHBondContact O-N 3.01Å; A222-I234 HydrophobicContact CB-CD1 4.17Å; A222-W249 HydrophobicContact CB-CE3 3.79Å; A222-W249 HydrophobicContact CB-CH2 4.3Å; A222-W249 HydrophobicContact CB-CZ3 3.44Å; A222-W249 VanDerWaalsContact CB-CZ3 3.44Å
223E98.4Very high98.3Very high66 Ų6641.5 Ų41.531%0.30823%0.225SC..Hα-helixtrans-60.3-39.6179-78.5178.7164.400112.2R219 L226 Q227 K252R219-E223 HydrophobicContact CG-CG 4.19Å; R219-E223 IonicContact CZ-OE1 3.96Å; R219-E223 VanDerWaalsContact CZ-OE1 3.31Å; R219-E223 IonicContact NE-OE1 2.62Å; R219-E223 PolarHBondContact NE-OE1 3.42Å; R219-E223 IonicContact NE-OE2 3.65Å; R219-E223 IonicContact NH2-OE1 3.7Å; R219-E223 PolarHBondContact NH2-OE1 2.9Å; R219-E223 WeakPolarHBondContact O-CB 3.42Å; R219-E223 WeakPolarHBondContact O-CG 3.04Å; R219-E223 PolarHBondContact O-N 3.35Å; E223-L226 PolarHBondContact O-N 2.98Å; E223-Q227 WeakPolarHBondContact O-CB 3.19Å; E223-Q227 PolarHBondContact O-N 3.43Å; E223-K252 HydrophobicContact CG-CD 3.48Å; E223-K252 VanDerWaalsContact CG-CD 3.48Å; E223-K252 VanDerWaalsContact OE1-CE 3.23Å; E223-K252 WeakPolarHBondContact OE1-CE 3.38Å; E223-K252 IonicContact OE1-NZ 3.73Å; E223-K252 PolarHBondContact OE1-NZ 3.1Å
224R98.3Very high98.4Very high97 Ų9740.6 Ų40.637%0.36622%0.218SC..Hα-helixtrans-67.2-43.4174.3-70.8-171.6-40.8-94.92.8112.3D205 G220 A221 A222 L226 Q227 D228D205-R224 IonicContact OD1-CZ 3.1Å; D205-R224 IonicContact OD1-NH1 2.76Å; D205-R224 PolarHBondContact OD1-NH1 2.56Å; D205-R224 IonicContact OD1-NH2 2.6Å; D205-R224 PolarHBondContact OD1-NH2 3.04Å; D205-R224 IonicContact OD2-CZ 3.99Å; D205-R224 IonicContact OD2-NH2 3.06Å; D205-R224 PolarHBondContact OD2-NH2 2.88Å; G220-R224 VanDerWaalsContact C-NH1 3.35Å; G220-R224 WeakPolarHBondContact O-CG 3.45Å; G220-R224 PolarHBondContact O-N 3.35Å; G220-R224 PolarHBondContact O-NH1 3.13Å; G220-R224 VanDerWaalsContact O-NH1 3.09Å; A221-R224 PolarHBondContact O-N 2.85Å; A222-R224 VanDerWaalsContact C-N 3.31Å; A222-R224 PolarHBondContact O-N 2.85Å; R224-L226 VanDerWaalsContact C-N 3.3Å; R224-L226 PolarHBondContact O-N 2.61Å; R224-Q227 PolarHBondContact O-N 3.25Å; R224-D228 VanDerWaalsContact O-CB 3.32Å; R224-D228 WeakPolarHBondContact O-CB 3.37Å; R224-D228 PolarHBondContact O-N 2.64Å
225F98.7Very high98.4Very high8 Ų840 Ų404%0.03521%0.211CC..Hα-helixtrans-59.5-42.7175.9-179.6-94.1000111.7F161 I167 R172 I174 I177 A221 A222 N229 I231 I234F161-F225 HydrophobicContact CB-CE1 4.2Å; F161-F225 AromaticContact CD1-CE1 3.55Å; F161-F225 HydrophobicContact CD1-CE1 3.55Å; F161-F225 AromaticContact CD1-CZ 3.84Å; F161-F225 HydrophobicContact CD1-CZ 3.84Å; F161-F225 HydrophobicContact CD2-CE1 4.43Å; F161-F225 HydrophobicContact CD2-CZ 4.28Å; F161-F225 AromaticContact CE1-CE1 3.97Å; F161-F225 HydrophobicContact CE1-CE1 3.97Å; F161-F225 AromaticContact CE1-CZ 3.82Å; F161-F225 HydrophobicContact CE1-CZ 3.82Å; F161-F225 HydrophobicContact CE2-CZ 4.27Å; F161-F225 AromaticContact CG-CE1 3.8Å; F161-F225 HydrophobicContact CG-CE1 3.8Å; F161-F225 HydrophobicContact CG-CZ 4.07Å; F161-F225 HydrophobicContact CZ-CZ 4.05Å; I167-F225 HydrophobicContact CB-CD2 4.4Å; I167-F225 HydrophobicContact CB-CG 4.43Å; I167-F225 HydrophobicContact CD1-CB 4.08Å; I167-F225 HydrophobicContact CG2-CB 4.27Å; I167-F225 HydrophobicContact CG2-CD1 3.72Å; I167-F225 HydrophobicContact CG2-CD2 3.96Å; I167-F225 HydrophobicContact CG2-CE1 3.97Å; I167-F225 HydrophobicContact CG2-CE2 4.2Å; I167-F225 HydrophobicContact CG2-CG 3.7Å; I167-F225 HydrophobicContact CG2-CZ 4.21Å; R172-F225 VanDerWaalsContact O-CD2 3.24Å; R172-F225 WeakPolarHBondContact O-CD2 3.42Å; R172-F225 WeakPolarHBondContact O-CE2 3.24Å; I174-F225 HydrophobicContact CG1-CZ 4.14Å; I177-F225 HydrophobicContact CD1-CE2 4.12Å; I177-F225 HydrophobicContact CD1-CZ 4.13Å; A221-F225 PolarHBondContact O-N 2.87Å; A222-F225 PolarHBondContact O-N 3.38Å; F225-N229 WeakPolarHBondContact O-CB 3.25Å; F225-N229 PolarHBondContact O-N 3.08Å; F225-N229 PolarHBondContact O-ND2 3.33Å; F225-I231 HydrophobicContact CD1-CD1 3.97Å; F225-I231 HydrophobicContact CE1-CD1 3.63Å; F225-I234 HydrophobicContact CD1-CD1 4.09Å; F225-I234 HydrophobicContact CD1-CG1 4.24Å; F225-I234 HydrophobicContact CE1-CG1 4.46Å
226L98.7Very high98.5Very high10 Ų1035.9 Ų35.95%0.05220%0.196CC..Hα-helixtrans-61.9-47.5176.5-68.3172.5000111.5A222 E223 R224 N229 G230 I231 I234 K252A222-L226 VanDerWaalsContact O-CG 3.29Å; A222-L226 WeakPolarHBondContact O-CG 3.15Å; A222-L226 PolarHBondContact O-N 3.01Å; E223-L226 PolarHBondContact O-N 2.98Å; R224-L226 VanDerWaalsContact C-N 3.3Å; R224-L226 PolarHBondContact O-N 2.61Å; L226-N229 PolarHBondContact O-N 2.78Å; L226-G230 PolarHBondContact O-N 3.14Å; L226-I231 HydrophobicContact CB-CG1 4.38Å; L226-I231 HydrophobicContact CD2-CD1 3.68Å; L226-I231 HydrophobicContact CD2-CG1 3.61Å; L226-I231 PolarHBondContact O-N 3.12Å; L226-I231 VanDerWaalsContact O-N 3.12Å; L226-I234 HydrophobicContact CD2-CD1 4.47Å; L226-I234 HydrophobicContact CD2-CG1 3.96Å; L226-K252 HydrophobicContact CD1-CB 3.62Å; L226-K252 HydrophobicContact CD1-CD 3.8Å; L226-K252 HydrophobicContact CD1-CG 3.8Å
227Q98.4Very high98.5Very high154 Ų15434.7 Ų34.772%0.7219%0.19SC*.Hα-helixtrans-61.7-49.4178.6-177.8179.85.500112.3E223 R224 N229 G230E223-Q227 WeakPolarHBondContact O-CB 3.19Å; E223-Q227 PolarHBondContact O-N 3.43Å; R224-Q227 PolarHBondContact O-N 3.25Å; Q227-N229 PolarHBondContact O-N 3.49Å; Q227-G230 PolarHBondContact O-N 2.93Å
228D98.4Very high98.5Very high91 Ų9135.2 Ų35.249%0.48719%0.192SC..Hα-helixtrans-62.2-25-177-73.4-12.4000112.3R224R224-D228 VanDerWaalsContact O-CB 3.32Å; R224-D228 WeakPolarHBondContact O-CB 3.37Å; R224-D228 PolarHBondContact O-N 2.64Å
229N98.6Very high98.4Very high36 Ų3637.5 Ų37.519%0.19320%0.203CC..Hα-helixtrans-107.6-3.7-177.5-68.3-74.4000114.3R172 T173 I174 F225 L226 Q227 I231R172-N229 PolarHBondContact O-ND2 2.91Å; T173-N229 WeakPolarHBondContact CA-OD1 3.16Å; I174-N229 HydrophobicContact CD1-CB 3.79Å; I174-N229 HydrophobicContact CG1-CB 4.16Å; I174-N229 WeakPolarHBondContact CG1-OD1 3.39Å; I174-N229 PolarHBondContact N-OD1 3.17Å; F225-N229 WeakPolarHBondContact O-CB 3.25Å; F225-N229 PolarHBondContact O-N 3.08Å; F225-N229 PolarHBondContact O-ND2 3.33Å; L226-N229 PolarHBondContact O-N 2.78Å; Q227-N229 PolarHBondContact O-N 3.49Å; N229-I231 VanDerWaalsContact C-N 3.27Å; N229-I231 HydrophobicContact CB-CD1 4.22Å; N229-I231 HydrophobicContact CB-CG1 3.96Å; N229-I231 HydrophobicContact CB-CG2 4.43Å; N229-I231 PolarHBondContact O-N 3.34Å
230G98.2Very high98.4Very high65 Ų6535.3 Ų35.367%0.6720%0.2SC*.THydrogen-bonded Turntrans63.331-178.700000114L226 Q227L226-G230 PolarHBondContact O-N 3.14Å; Q227-G230 PolarHBondContact O-N 2.93Å
231I97.6Very high98.4Very high16 Ų1634.7 Ų34.78%0.08219%0.191CC..  trans-109.6162.618056168000110.3S159 F161 I174 F225 L226 N229S159-I231 WeakPolarHBondContact O-CB 3.41Å; F161-I231 HydrophobicContact CB-CD1 3.45Å; F161-I231 VanDerWaalsContact CB-CD1 3.45Å; F161-I231 HydrophobicContact CG-CD1 4.35Å; I174-I231 HydrophobicContact CD1-CD1 4.29Å; I174-I231 HydrophobicContact CD1-CG2 4.05Å; F225-I231 HydrophobicContact CD1-CD1 3.97Å; F225-I231 HydrophobicContact CE1-CD1 3.63Å; L226-I231 HydrophobicContact CB-CG1 4.38Å; L226-I231 HydrophobicContact CD2-CD1 3.68Å; L226-I231 HydrophobicContact CD2-CG1 3.61Å; L226-I231 PolarHBondContact O-N 3.12Å; L226-I231 VanDerWaalsContact O-N 3.12Å; N229-I231 VanDerWaalsContact C-N 3.27Å; N229-I231 HydrophobicContact CB-CD1 4.22Å; N229-I231 HydrophobicContact CB-CG1 3.96Å; N229-I231 HydrophobicContact CB-CG2 4.43Å; N229-I231 PolarHBondContact O-N 3.34Å
232S97.6Very high98.4Very high58 Ų5839 Ų3941%0.40621%0.212SC..SBendtrans-103.7-29.7-174.365.60000114.3S159S159-S232 PolarHBondContact O-N 3.4Å; S159-S232 PolarHBondContact O-OG 2.62Å; S159-S232 PolarHBondContact OG-OG 3.1Å
233M98.6Very high98.4Very high4 Ų445 Ų452%0.0224%0.24CC..EExtended strand (participates in β ladder)trans-150.4144.1-174-179.3-168.9-66.400112.6S159 Y160 F161 F247 N251 K252 V254 F273 Y281S159-M233 PolarHBondContact O-N 2.98Å; Y160-M233 WeakPolarHBondContact CA-O 3.4Å; Y160-M233 HydrophobicContact CD1-CB 3.89Å; Y160-M233 HydrophobicContact CD1-CG 4.47Å; Y160-M233 HydrophobicContact CD1-SD 4.15Å; Y160-M233 HydrophobicContact CE1-CB 4.22Å; Y160-M233 HydrophobicContact CE1-CE 4.45Å; Y160-M233 HydrophobicContact CE1-SD 4.24Å; F161-M233 PolarHBondContact N-O 2.97Å; M233-F247 HydrophobicContact CE-CD1 4.41Å; M233-F247 HydrophobicContact CE-CE1 3.83Å; M233-F247 HydrophobicContact SD-CE1 4.33Å; M233-N251 HydrophobicContact CE-CB 4.13Å; M233-N251 WeakPolarHBondContact CE-O 3.18Å; M233-K252 CarbonylContact C-O 3.59Å; M233-K252 VanDerWaalsContact CA-O 3.31Å; M233-K252 WeakPolarHBondContact CA-O 3.34Å; M233-V254 HydrophobicContact CG-CG1 4.4Å; M233-V254 HydrophobicContact SD-CB 4.13Å; M233-V254 HydrophobicContact SD-CG1 3.61Å; M233-F273 HydrophobicContact SD-CE1 4.47Å; M233-F273 HydrophobicContact SD-CZ 4.05Å; M233-Y281 HydrophobicContact CE-CD1 4.36Å; M233-Y281 HydrophobicContact CE-CE1 3.64Å; M233-Y281 HydrophobicContact CE-CE2 4.19Å
234I98.9Very high98.4Very high0 Ų041.8 Ų41.80%023%0.225CC..EExtended strand (participates in β ladder)trans-93.6122.4166.4-62.3160.6000108.4F161 I167 A222 F225 L226 R236 K252 L253 V254F161-I234 HydrophobicContact CD1-CG1 4.41Å; F161-I234 HydrophobicContact CD1-CG2 4.35Å; F161-I234 CarbonylContact O-C 3.4Å; F161-I234 WeakPolarHBondContact O-CA 3.33Å; I167-I234 HydrophobicContact CG2-CD1 3.78Å; A222-I234 HydrophobicContact CB-CD1 4.17Å; F225-I234 HydrophobicContact CD1-CD1 4.09Å; F225-I234 HydrophobicContact CD1-CG1 4.24Å; F225-I234 HydrophobicContact CE1-CG1 4.46Å; L226-I234 HydrophobicContact CD2-CD1 4.47Å; L226-I234 HydrophobicContact CD2-CG1 3.96Å; I234-R236 HydrophobicContact CG2-CB 4.39Å; I234-K252 PolarHBondContact N-O 2.92Å; I234-L253 HydrophobicContact CB-CB 4.36Å; I234-L253 HydrophobicContact CB-CD1 4.1Å; I234-L253 HydrophobicContact CB-CG 4.13Å; I234-L253 HydrophobicContact CD1-CD1 4.45Å; I234-L253 HydrophobicContact CG2-CD1 3.97Å; I234-L253 HydrophobicContact CG2-CG 4.25Å; I234-L253 CarbonylContact O-C 3.49Å; I234-L253 VanDerWaalsContact O-CA 3.25Å; I234-L253 WeakPolarHBondContact O-CA 3.49Å; I234-V254 PolarHBondContact O-N 3.2Å
235C98.9Very high98.4Very high0 Ų041 Ų410%022%0.222CC..EExtended strand (participates in β ladder)trans-104.6117.7172.8-57.40000108.6I51 F161 C162 V163 V254I51-C235 HydrophobicContact CD1-CB 4.03Å; F161-C235 PolarHBondContact O-N 3.2Å; C162-C235 VanDerWaalsContact CA-O 3.3Å; C162-C235 WeakPolarHBondContact CA-O 3.3Å; V163-C235 PolarHBondContact N-O 3.04Å; V163-C235 VanDerWaalsContact N-O 3.09Å; C235-V254 HydrophobicContact CB-CG1 4.04Å
236R98.9Very high98.4Very high0 Ų046.1 Ų46.10%025%0.245CC..EExtended strand (participates in β ladder)trans-139.6170.7-174.273.283.153.8151.922.2113.5V163 A165 S198 D199 I234 Q239 L253 V254 T255 V256V163-R236 HydrophobicContact CG1-CB 4.34Å; V163-R236 VanDerWaalsContact O-CA 3.28Å; V163-R236 WeakPolarHBondContact O-CA 3.28Å; A165-R236 VanDerWaalsContact C-NH2 3.25Å; A165-R236 VanDerWaalsContact O-CB 3.23Å; A165-R236 WeakPolarHBondContact O-CB 3.5Å; A165-R236 WeakPolarHBondContact O-CG 3.07Å; A165-R236 PolarHBondContact O-NE 3.02Å; A165-R236 PolarHBondContact O-NH2 3.28Å; S198-R236 PolarHBondContact O-NH2 3Å; D199-R236 IonicContact OD1-CZ 2.97Å; D199-R236 IonicContact OD1-NH1 3.3Å; D199-R236 PolarHBondContact OD1-NH1 3.03Å; D199-R236 IonicContact OD1-NH2 2.82Å; D199-R236 PolarHBondContact OD1-NH2 3.13Å; I234-R236 HydrophobicContact CG2-CB 4.39Å; R236-Q239 VanDerWaalsContact NH1-OE1 3.08Å; R236-L253 HydrophobicContact CG-CD1 4.27Å; R236-L253 HydrophobicContact CG-CD2 4.05Å; R236-L253 HydrophobicContact CG-CG 4.28Å; R236-V254 PolarHBondContact N-O 3.47Å; R236-T255 WeakPolarHBondContact CD-OG1 3.29Å; R236-T255 CarbonylContact O-C 3.52Å; R236-T255 VanDerWaalsContact O-CA 3.28Å; R236-T255 WeakPolarHBondContact O-CA 3.36Å; R236-V256 PolarHBondContact O-N 2.82Å
237A98.8Very high98.4Very high0 Ų048.6 Ų48.60%026%0.255CS..  trans-125.1-126.6-176.900000111.9D54 L80 H164 Q239 V256D54-A237 WeakPolarHBondContact OD1-CB 3.33Å; L80-A237 HydrophobicContact CB-CB 3.86Å; L80-A237 HydrophobicContact CD1-CB 3.87Å; H164-A237 CarbonylContact O-C 3.52Å; H164-A237 WeakPolarHBondContact O-CA 3.09Å; H164-A237 PolarHBondContact O-N 3.48Å; A237-Q239 PolarHBondContact O-N 3.3Å; A237-V256 WeakPolarHBondContact CA-O 3.17Å; A237-V256 WeakPolarHBondContact CB-O 3.34Å
238H98.6Very high98.4Very high11 Ų1142.5 Ų42.55%0.05123%0.227CC..SBendtrans62.2-18.6161.8-170.972.5000119.1D54 N114 H164 A165 W197 D199 R211D54-H238 PolarHBondContact OD1-N 3.08Å; N114-H238 PolarHBondContact OD1-CE1 3.21Å; N114-H238 PolarHBondContact OD1-ND1 3.36Å; H164-H238 AromaticContact CD2-ND1 3.72Å; H164-H238 AromaticContact NE2-CG 3.81Å; H164-H238 AromaticContact NE2-ND1 3.24Å; H164-H238 PolarHBondContact NE2-ND1 3.43Å; A165-H238 HydrophobicContact CB-CB 4.05Å; W197-H238 AromaticContact CE3-CE1 3.75Å; W197-H238 AromaticContact CE3-NE2 3.91Å; D199-H238 IonicContact OD1-CD2 3.31Å; D199-H238 PolarHBondContact OD1-CD2 2.89Å; R211-H238 PolarHBondContact NE-NE2 3.17Å; R211-H238 PolarHBondContact NH1-NE2 2.93Å; R211-H238 PolarHBondContact NH2-CD2 3.46Å; R211-H238 PolarHBondContact NH2-O 3.35Å
239Q98.2Very high98.4Very high48 Ų4839.2 Ų39.222%0.22421%0.208CC..SBendtrans-114.5123.3171.2-83.3171.9-36.500109D199 R236 A237 V241 T255 W257D199-Q239 VanDerWaalsContact CG-CD 3.46Å; D199-Q239 VanDerWaalsContact CG-NE2 3.28Å; D199-Q239 VanDerWaalsContact OD1-CD 3.22Å; D199-Q239 WeakPolarHBondContact OD1-CG 3.46Å; R236-Q239 VanDerWaalsContact NH1-OE1 3.08Å; A237-Q239 PolarHBondContact O-N 3.3Å; Q239-V241 PolarHBondContact O-N 2.73Å; Q239-T255 HydrophobicContact CB-CG2 4.31Å; Q239-W257 VanDerWaalsContact C-CE3 3.49Å; Q239-W257 VanDerWaalsContact O-CE3 3.3Å
240V98Very high98.3Very high50 Ų5043.1 Ų43.130%0.30323%0.229SC..  trans-60.1125.6173.1-1700000109W257 Y262 F266 N268V240-W257 HydrophobicContact CB-CD2 4.39Å; V240-W257 HydrophobicContact CB-CE3 4.48Å; V240-W257 HydrophobicContact CB-CH2 4.48Å; V240-W257 HydrophobicContact CB-CZ2 4.38Å; V240-W257 HydrophobicContact CB-CZ3 4.5Å; V240-W257 HydrophobicContact CG1-CD2 4.4Å; V240-W257 HydrophobicContact CG1-CZ2 4.42Å; V240-W257 HydrophobicContact CG2-CD2 4.46Å; V240-W257 HydrophobicContact CG2-CE3 4.4Å; V240-W257 HydrophobicContact CG2-CH2 3.59Å; V240-W257 HydrophobicContact CG2-CZ2 3.66Å; V240-W257 HydrophobicContact CG2-CZ3 3.95Å; V240-Y262 HydrophobicContact CG1-CD1 4.48Å; V240-Y262 HydrophobicContact CG2-CD1 3.5Å; V240-Y262 HydrophobicContact CG2-CE1 3.69Å; V240-Y262 HydrophobicContact CG2-CG 4.39Å; V240-F266 HydrophobicContact CG1-CD1 4.06Å; V240-F266 HydrophobicContact CG2-CD1 4.46Å; V240-F266 HydrophobicContact CG2-CE1 4.25Å; V240-N268 HydrophobicContact CG1-CB 4.27Å
241V97.8Very high98.3Very high12 Ų1243.5 Ų43.57%0.07322%0.216CC..  trans-113.5127.4172-179.60000108.6Q239 E243 G244 Y245 K246 T255Q239-V241 PolarHBondContact O-N 2.73Å; V241-E243 VanDerWaalsContact C-N 3.25Å; V241-E243 PolarHBondContact O-N 2.94Å; V241-G244 PolarHBondContact O-N 2.65Å; V241-Y245 WeakPolarHBondContact CG1-O 3.44Å; V241-K246 HydrophobicContact CG1-CB 3.91Å; V241-K246 HydrophobicContact CG2-CB 4.04Å; V241-T255 HydrophobicContact CG2-CG2 3.62Å
242M98.3Very high98.3Very high94 Ų9445 Ų4546%0.46322%0.222SC..THydrogen-bonded Turntrans-60.9-36.3-175.4-68.9-52.6-57.100112.7G244 F266 N268 L269M242-G244 VanDerWaalsContact C-N 3.3Å; M242-F266 WeakPolarHBondContact CE-O 3.35Å; M242-N268 HydrophobicContact CE-CB 3.92Å; M242-N268 CarbonylContact O-C 3.56Å; M242-N268 WeakPolarHBondContact O-CA 3.44Å; M242-N268 HydrophobicContact SD-CB 3.91Å; M242-L269 PolarHBondContact O-N 3.35Å
243E98.4Very high98.4Very high124 Ų12442.2 Ų42.258%0.57920%0.202SC*.THydrogen-bonded Turntrans-87.12178.2-60.272.2-157.300113V241 Y245 T285V241-E243 VanDerWaalsContact C-N 3.25Å; V241-E243 PolarHBondContact O-N 2.94Å; E243-Y245 VanDerWaalsContact C-N 3.27Å; E243-Y245 PolarHBondContact O-N 2.73Å; E243-T285 WeakPolarHBondContact O-CG2 3.44Å
244G98.4Very high98.4Very high0 Ų042 Ų420%020%0.201CC..SBendtrans84.5-22.5-179.100000114.9V241 M242 W257 L269 S271V241-G244 PolarHBondContact O-N 2.65Å; M242-G244 VanDerWaalsContact C-N 3.3Å; G244-W257 WeakPolarHBondContact O-CA 3.29Å; G244-W257 WeakPolarHBondContact O-CB 3.49Å; G244-W257 PolarHBondContact O-N 2.94Å; G244-L269 WeakPolarHBondContact CA-O 3.35Å; G244-S271 PolarHBondContact O-OG 3.09Å
245Y98.7Very high98.4Very high80 Ų8042.1 Ų42.131%0.31420%0.202SC..EExtended strand (participates in β ladder)trans-153155.417270.7-77.9000112.6V241 E243 F247 T255 A283 T285V241-Y245 WeakPolarHBondContact CG1-O 3.44Å; E243-Y245 VanDerWaalsContact C-N 3.27Å; E243-Y245 PolarHBondContact O-N 2.73Å; Y245-F247 HydrophobicContact CD2-CD2 4.26Å; Y245-F247 HydrophobicContact CD2-CE2 4.07Å; Y245-F247 HydrophobicContact CE2-CD2 4.12Å; Y245-F247 AromaticContact CE2-CE2 3.85Å; Y245-F247 HydrophobicContact CE2-CE2 3.85Å; Y245-T255 CarbonylContact C-O 3.53Å; Y245-T255 WeakPolarHBondContact CA-O 3.47Å; Y245-T255 WeakPolarHBondContact CB-O 3.35Å; Y245-A283 HydrophobicContact CD1-CB 3.68Å; Y245-A283 HydrophobicContact CD2-CB 3.72Å; Y245-A283 HydrophobicContact CE1-CB 3.66Å; Y245-A283 HydrophobicContact CE2-CB 3.71Å; Y245-A283 HydrophobicContact CG-CB 3.71Å; Y245-T285 HydrophobicContact CD1-CG2 3.9Å; Y245-T285 HydrophobicContact CE1-CG2 3.74Å
246K98.6Very high98.4Very high115 Ų11542.1 Ų42.150%0.520%0.202SC..EExtended strand (participates in β ladder)trans-146.1126.3178.5-173.8177.4-176.6-172.50111.4V241 L248 V254 T255V241-K246 HydrophobicContact CG1-CB 3.91Å; V241-K246 HydrophobicContact CG2-CB 4.04Å; K246-L248 HydrophobicContact CD-CD2 4.24Å; K246-L248 HydrophobicContact CG-CD2 4.32Å; K246-V254 WeakPolarHBondContact O-CA 3.33Å; K246-T255 PolarHBondContact N-O 3.03Å; K246-T255 PolarHBondContact O-N 3.38Å
247F98.6Very high98.4Very high62 Ų6242.3 Ų42.327%0.27220%0.203SC..EExtended strand (participates in β ladder)trans-85.6145.3167.8-70.8-77.3000111.3M233 Y245 N251 L253 V254 F273 Y281M233-F247 HydrophobicContact CE-CD1 4.41Å; M233-F247 HydrophobicContact CE-CE1 3.83Å; M233-F247 HydrophobicContact SD-CE1 4.33Å; Y245-F247 HydrophobicContact CD2-CD2 4.26Å; Y245-F247 HydrophobicContact CD2-CE2 4.07Å; Y245-F247 HydrophobicContact CE2-CD2 4.12Å; Y245-F247 AromaticContact CE2-CE2 3.85Å; Y245-F247 HydrophobicContact CE2-CE2 3.85Å; F247-N251 HydrophobicContact CD1-CB 4.09Å; F247-N251 HydrophobicContact CE1-CB 4.44Å; F247-N251 WeakPolarHBondContact CG-OD1 3.46Å; F247-L253 CarbonylContact C-O 3.6Å; F247-L253 WeakPolarHBondContact CA-O 3.16Å; F247-V254 HydrophobicContact CD1-CB 3.73Å; F247-V254 HydrophobicContact CD1-CG2 3.91Å; F247-V254 HydrophobicContact CE1-CB 3.71Å; F247-V254 HydrophobicContact CE1-CG2 3.78Å; F247-V254 HydrophobicContact CG-CG2 4.4Å; F247-V254 HydrophobicContact CZ-CG2 4.16Å; F247-F273 HydrophobicContact CE1-CE2 4.04Å; F247-F273 HydrophobicContact CE1-CZ 4.35Å; F247-F273 AromaticContact CZ-CE2 3.71Å; F247-F273 HydrophobicContact CZ-CE2 3.71Å; F247-F273 HydrophobicContact CZ-CZ 4.34Å; F247-Y281 AromaticContact CE1-CE2 3.88Å; F247-Y281 HydrophobicContact CE1-CE2 3.88Å; F247-Y281 HydrophobicContact CZ-CD2 4.13Å; F247-Y281 AromaticContact CZ-CE2 3.56Å; F247-Y281 HydrophobicContact CZ-CE2 3.56Å
248L98.4Very high98.4Very high27 Ų2742.3 Ų42.314%0.14120%0.203CC..EExtended strand (participates in β ladder)trans-127.2153.5171.7-61.9-179.5000111.2P200 K246 D250 N251 K252 L253P200-L248 HydrophobicContact CB-CD1 3.69Å; P200-L248 HydrophobicContact CG-CD1 3.89Å; K246-L248 HydrophobicContact CD-CD2 4.24Å; K246-L248 HydrophobicContact CG-CD2 4.32Å; L248-D250 PolarHBondContact O-N 3.26Å; L248-N251 PolarHBondContact O-N 2.92Å; L248-K252 PolarHBondContact O-N 3.11Å; L248-K252 VanDerWaalsContact O-N 3.1Å; L248-L253 HydrophobicContact CB-CB 4.42Å; L248-L253 HydrophobicContact CD1-CD2 4.12Å; L248-L253 HydrophobicContact CG-CD2 4.41Å; L248-L253 PolarHBondContact N-O 3.33Å; L248-L253 PolarHBondContact O-N 2.83Å
249W97.7Very high98.3Very high21 Ų2141.8 Ų41.88%0.0820%0.201CC..THydrogen-bonded Turntrans51.151167.9-45-47.6000115.6P200 F217 R219 A222 K252 L253P200-W249 HydrophobicContact CB-CH2 3.5Å; P200-W249 HydrophobicContact CB-CZ2 4.15Å; P200-W249 HydrophobicContact CB-CZ3 4.19Å; F217-W249 HydrophobicContact CD2-CH2 4.06Å; F217-W249 HydrophobicContact CD2-CZ3 4.39Å; F217-W249 AromaticContact CE2-CH2 3.93Å; F217-W249 HydrophobicContact CE2-CH2 3.93Å; F217-W249 AromaticContact CE2-CZ3 3.99Å; F217-W249 HydrophobicContact CE2-CZ3 3.99Å; R219-W249 HydrophobicContact CB-CD2 3.93Å; R219-W249 HydrophobicContact CB-CG 3.83Å; R219-W249 HydrophobicContact CG-CB 3.99Å; R219-W249 HydrophobicContact CG-CD2 4.25Å; R219-W249 HydrophobicContact CG-CG 3.78Å; A222-W249 HydrophobicContact CB-CE3 3.79Å; A222-W249 HydrophobicContact CB-CH2 4.3Å; A222-W249 HydrophobicContact CB-CZ3 3.44Å; A222-W249 VanDerWaalsContact CB-CZ3 3.44Å; W249-K252 HydrophobicContact CB-CB 4.33Å; W249-K252 WeakPolarHBondContact O-CB 3.5Å; W249-K252 VanDerWaalsContact O-CG 3.22Å; W249-K252 WeakPolarHBondContact O-CG 3.35Å; W249-K252 PolarHBondContact O-NZ 3.28Å; W249-L253 HydrophobicContact CE3-CB 4.14Å; W249-L253 HydrophobicContact CZ3-CB 4.15Å; W249-L253 HydrophobicContact CZ3-CD1 3.99Å
250D97Very high98.3Very high119 Ų11939.5 Ų39.564%0.63619%0.19SC*.THydrogen-bonded Turntrans64.949.6-180-44-63.2000112.2R219 L248 K252R219-D250 IonicContact CZ-OD2 3.96Å; R219-D250 VanDerWaalsContact CZ-OD2 3.3Å; R219-D250 IonicContact NH1-OD2 3.73Å; R219-D250 PolarHBondContact NH1-OD2 3.4Å; R219-D250 VanDerWaalsContact NH1-OD2 3.07Å; R219-D250 IonicContact NH2-OD2 3.84Å; R219-D250 PolarHBondContact NH2-OD2 3.23Å; L248-D250 PolarHBondContact O-N 3.26Å; D250-K252 PolarHBondContact O-N 3.48Å; D250-K252 IonicContact OD2-NZ 2.84Å
251N97.6Very high98.3Very high73 Ų7338.9 Ų38.939%0.3919%0.185SC..THydrogen-bonded Turntrans61.124.6-178.9-55.5-22000114.6M233 F247 L248 Y281M233-N251 HydrophobicContact CE-CB 4.13Å; M233-N251 WeakPolarHBondContact CE-O 3.18Å; F247-N251 HydrophobicContact CD1-CB 4.09Å; F247-N251 HydrophobicContact CE1-CB 4.44Å; F247-N251 WeakPolarHBondContact CG-OD1 3.46Å; L248-N251 PolarHBondContact O-N 2.92Å; N251-Y281 PolarHBondContact ND2-OH 3.4Å
252K98.4Very high98.3Very high46 Ų4638.8 Ų38.820%0.218%0.183CC..THydrogen-bonded Turntrans-80.4-19.9175-74.2-169.2-160.385.70113.3E223 L226 M233 I234 L248 W249 D250E223-K252 HydrophobicContact CG-CD 3.48Å; E223-K252 VanDerWaalsContact CG-CD 3.48Å; E223-K252 VanDerWaalsContact OE1-CE 3.23Å; E223-K252 WeakPolarHBondContact OE1-CE 3.38Å; E223-K252 IonicContact OE1-NZ 3.73Å; E223-K252 PolarHBondContact OE1-NZ 3.1Å; L226-K252 HydrophobicContact CD1-CB 3.62Å; L226-K252 HydrophobicContact CD1-CD 3.8Å; L226-K252 HydrophobicContact CD1-CG 3.8Å; M233-K252 CarbonylContact C-O 3.59Å; M233-K252 VanDerWaalsContact CA-O 3.31Å; M233-K252 WeakPolarHBondContact CA-O 3.34Å; I234-K252 PolarHBondContact N-O 2.92Å; L248-K252 PolarHBondContact O-N 3.11Å; L248-K252 VanDerWaalsContact O-N 3.1Å; W249-K252 HydrophobicContact CB-CB 4.33Å; W249-K252 WeakPolarHBondContact O-CB 3.5Å; W249-K252 VanDerWaalsContact O-CG 3.22Å; W249-K252 WeakPolarHBondContact O-CG 3.35Å; W249-K252 PolarHBondContact O-NZ 3.28Å; D250-K252 PolarHBondContact O-N 3.48Å; D250-K252 IonicContact OD2-NZ 2.84Å
253L98.8Very high98Very high0 Ų035.4 Ų35.40%017%0.168CC..EExtended strand (participates in β ladder)trans-139.4141.3172.2-176.9150.9000109.3P200 F217 I234 R236 F247 L248 W249P200-L253 HydrophobicContact CB-CD1 4.06Å; P200-L253 HydrophobicContact CG-CD1 4.19Å; P200-L253 HydrophobicContact CG-CD2 4.1Å; F217-L253 HydrophobicContact CE2-CD1 3.72Å; F217-L253 HydrophobicContact CZ-CD1 3.69Å; I234-L253 HydrophobicContact CB-CB 4.36Å; I234-L253 HydrophobicContact CB-CD1 4.1Å; I234-L253 HydrophobicContact CB-CG 4.13Å; I234-L253 HydrophobicContact CD1-CD1 4.45Å; I234-L253 HydrophobicContact CG2-CD1 3.97Å; I234-L253 HydrophobicContact CG2-CG 4.25Å; I234-L253 CarbonylContact O-C 3.49Å; I234-L253 VanDerWaalsContact O-CA 3.25Å; I234-L253 WeakPolarHBondContact O-CA 3.49Å; R236-L253 HydrophobicContact CG-CD1 4.27Å; R236-L253 HydrophobicContact CG-CD2 4.05Å; R236-L253 HydrophobicContact CG-CG 4.28Å; F247-L253 CarbonylContact C-O 3.6Å; F247-L253 WeakPolarHBondContact CA-O 3.16Å; L248-L253 HydrophobicContact CB-CB 4.42Å; L248-L253 HydrophobicContact CD1-CD2 4.12Å; L248-L253 HydrophobicContact CG-CD2 4.41Å; L248-L253 PolarHBondContact N-O 3.33Å; L248-L253 PolarHBondContact O-N 2.83Å; W249-L253 HydrophobicContact CE3-CB 4.14Å; W249-L253 HydrophobicContact CZ3-CB 4.15Å; W249-L253 HydrophobicContact CZ3-CD1 3.99Å
254V98.8Very high97.8Very high0 Ų032.1 Ų32.10%015%0.151CC..EExtended strand (participates in β ladder)trans-124126.8167.165.20000109.7M233 I234 C235 R236 K246 F247 V256 F273M233-V254 HydrophobicContact CG-CG1 4.4Å; M233-V254 HydrophobicContact SD-CB 4.13Å; M233-V254 HydrophobicContact SD-CG1 3.61Å; I234-V254 PolarHBondContact O-N 3.2Å; C235-V254 HydrophobicContact CB-CG1 4.04Å; R236-V254 PolarHBondContact N-O 3.47Å; K246-V254 WeakPolarHBondContact O-CA 3.33Å; F247-V254 HydrophobicContact CD1-CB 3.73Å; F247-V254 HydrophobicContact CD1-CG2 3.91Å; F247-V254 HydrophobicContact CE1-CB 3.71Å; F247-V254 HydrophobicContact CE1-CG2 3.78Å; F247-V254 HydrophobicContact CG-CG2 4.4Å; F247-V254 HydrophobicContact CZ-CG2 4.16Å; V254-V256 HydrophobicContact CG1-CG2 4.25Å; V254-V256 HydrophobicContact CG2-CG2 4.12Å; V254-F273 HydrophobicContact CB-CE2 4.47Å; V254-F273 HydrophobicContact CG1-CD2 4.46Å; V254-F273 HydrophobicContact CG1-CE1 4.4Å; V254-F273 HydrophobicContact CG1-CE2 4.15Å; V254-F273 HydrophobicContact CG1-CZ 4.1Å; V254-F273 HydrophobicContact CG2-CD2 4.2Å; V254-F273 HydrophobicContact CG2-CE2 4.05Å
255T98.9Very high97.6Very high3 Ų341.2 Ų41.22%0.01819%0.185CC..EExtended strand (participates in β ladder)trans-90.6124.9165.1-59.30000108R236 Q239 V241 Y245 K246R236-T255 WeakPolarHBondContact CD-OG1 3.29Å; R236-T255 CarbonylContact O-C 3.52Å; R236-T255 VanDerWaalsContact O-CA 3.28Å; R236-T255 WeakPolarHBondContact O-CA 3.36Å; Q239-T255 HydrophobicContact CB-CG2 4.31Å; V241-T255 HydrophobicContact CG2-CG2 3.62Å; Y245-T255 CarbonylContact C-O 3.53Å; Y245-T255 WeakPolarHBondContact CA-O 3.47Å; Y245-T255 WeakPolarHBondContact CB-O 3.35Å; K246-T255 PolarHBondContact N-O 3.03Å; K246-T255 PolarHBondContact O-N 3.38Å
256V98.9Very high97.5Very high0 Ų041.3 Ų41.30%019%0.188CC..EExtended strand (participates in β ladder)trans-115.1126.5178.4-1760000107.9G53 R236 A237 V254 F273G53-V256 WeakPolarHBondContact CA-O 3.2Å; R236-V256 PolarHBondContact O-N 2.82Å; A237-V256 WeakPolarHBondContact CA-O 3.17Å; A237-V256 WeakPolarHBondContact CB-O 3.34Å; V254-V256 HydrophobicContact CG1-CG2 4.25Å; V254-V256 HydrophobicContact CG2-CG2 4.12Å; V256-F273 HydrophobicContact CG1-CB 4.25Å; V256-F273 HydrophobicContact CG2-CB 3.72Å; V256-F273 HydrophobicContact CG2-CD2 4.44Å; V256-F273 HydrophobicContact CG2-CG 4.19Å
257W98.8Very high97.4Very high3 Ų338.5 Ų38.51%0.01119%0.191CC..  trans-122.5123.6179.3-174.4-92.3000109.8D54 H56 Q239 V240 G244 A259 Y262 N268 A270 S271D54-W257 HydrophobicContact CB-CD2 4.4Å; D54-W257 HydrophobicContact CB-CE3 4.01Å; D54-W257 HydrophobicContact CB-CH2 3.68Å; D54-W257 HydrophobicContact CB-CZ2 4.09Å; D54-W257 HydrophobicContact CB-CZ3 3.67Å; D54-W257 WeakPolarHBondContact OD2-CH2 3.48Å; D54-W257 WeakPolarHBondContact OD2-CZ3 3.11Å; H56-W257 AromaticContact CD2-CH2 3.88Å; Q239-W257 VanDerWaalsContact C-CE3 3.49Å; Q239-W257 VanDerWaalsContact O-CE3 3.3Å; V240-W257 HydrophobicContact CB-CD2 4.39Å; V240-W257 HydrophobicContact CB-CE3 4.48Å; V240-W257 HydrophobicContact CB-CH2 4.48Å; V240-W257 HydrophobicContact CB-CZ2 4.38Å; V240-W257 HydrophobicContact CB-CZ3 4.5Å; V240-W257 HydrophobicContact CG1-CD2 4.4Å; V240-W257 HydrophobicContact CG1-CZ2 4.42Å; V240-W257 HydrophobicContact CG2-CD2 4.46Å; V240-W257 HydrophobicContact CG2-CE3 4.4Å; V240-W257 HydrophobicContact CG2-CH2 3.59Å; V240-W257 HydrophobicContact CG2-CZ2 3.66Å; V240-W257 HydrophobicContact CG2-CZ3 3.95Å; G244-W257 WeakPolarHBondContact O-CA 3.29Å; G244-W257 WeakPolarHBondContact O-CB 3.49Å; G244-W257 PolarHBondContact O-N 2.94Å; W257-A259 HydrophobicContact CZ2-CB 4.14Å; W257-A259 PolarHBondContact NE1-O 3.3Å; W257-Y262 HydrophobicContact CH2-CD1 4.43Å; W257-Y262 HydrophobicContact CH2-CD2 4.46Å; W257-Y262 HydrophobicContact CH2-CE1 4.25Å; W257-Y262 HydrophobicContact CH2-CE2 4.3Å; W257-Y262 HydrophobicContact CH2-CG 4.5Å; W257-Y262 AromaticContact CZ2-CD1 3.9Å; W257-Y262 HydrophobicContact CZ2-CD1 3.9Å; W257-Y262 AromaticContact CZ2-CD2 3.68Å; W257-Y262 HydrophobicContact CZ2-CD2 3.68Å; W257-Y262 HydrophobicContact CZ2-CE1 4.14Å; W257-Y262 AromaticContact CZ2-CE2 3.96Å; W257-Y262 HydrophobicContact CZ2-CE2 3.96Å; W257-Y262 AromaticContact CZ2-CG 3.62Å; W257-Y262 HydrophobicContact CZ2-CG 3.62Å; W257-N268 PolarHBondContact NE1-ND2 3.48Å; W257-A270 CarbonylContact O-C 3.48Å; W257-A270 VanDerWaalsContact O-CA 3.24Å; W257-A270 WeakPolarHBondContact O-CA 3.32Å; W257-S271 PolarHBondContact O-N 2.63Å
258S98.8Very high97.4Very high1 Ų135.6 Ų35.61%0.00718%0.179CC..  trans-112.911.5-170.5-63.70000114.6G53 D54 A270 S271G53-S258 PolarHBondContact N-OG 3.1Å; D54-S258 CarbonylContact O-C 3.43Å; D54-S258 WeakPolarHBondContact O-CA 3.46Å; D54-S258 WeakPolarHBondContact O-CB 3.44Å; D54-S258 PolarHBondContact O-N 3.29Å; S258-A270 VanDerWaalsContact C-CB 3.43Å; S258-S271 PolarHBondContact OG-O 2.98Å
259A98.4Very high97.4Very high0 Ų037.9 Ų37.90%019%0.19CC..  trans-11596-179.900000112D54 W257 Y262 N268D54-A259 WeakPolarHBondContact O-CB 3.45Å; D54-A259 PolarHBondContact O-N 3.06Å; D54-A259 VanDerWaalsContact O-N 3.12Å; W257-A259 HydrophobicContact CZ2-CB 4.14Å; W257-A259 PolarHBondContact NE1-O 3.3Å; A259-Y262 HydrophobicContact CB-CD2 4.48Å; A259-N268 PolarHBondContact O-ND2 3.47Å
260P98.2Very high97.4Very high0 Ų036.9 Ų36.90%019%0.187CC..THydrogen-bonded Turntrans-74.2152.6-176.132-34.8000110.8Q58 D61 Y262 A270 F286 P288Q58-P260 PolarHBondContact NE2-O 3.2Å; D61-P260 HydrophobicContact CB-CG 3.81Å; D61-P260 WeakPolarHBondContact OD1-CG 3.36Å; P260-Y262 PolarHBondContact O-N 2.91Å; P260-A270 HydrophobicContact CB-CB 3.75Å; P260-A270 VanDerWaalsContact CD-CB 3.46Å; P260-A270 HydrophobicContact CG-CB 4Å; P260-F286 HydrophobicContact CG-CD2 4.3Å; P260-F286 HydrophobicContact CG-CE2 4.01Å; P260-P288 HydrophobicContact CB-CB 4.23Å; P260-P288 HydrophobicContact CG-CB 4.16Å
261N97.5Very high97.5Very high36 Ų3631.2 Ų31.219%0.19316%0.156CC..THydrogen-bonded Turntrans42.251.6-173.3-173.433.7000111.9Y264 R265 F266 G267 N268 P288N261-Y264 WeakPolarHBondContact O-CA 3.22Å; N261-Y264 PolarHBondContact O-N 2.9Å; N261-R265 PolarHBondContact OD1-N 3.06Å; N261-F266 PolarHBondContact OD1-N 2.93Å; N261-G267 PolarHBondContact OD1-N 3.47Å; N261-N268 PolarHBondContact N-O 2.98Å; N261-N268 PolarHBondContact N-OD1 2.88Å; N261-P288 HydrophobicContact CB-CB 4.08Å; N261-P288 HydrophobicContact CB-CG 4.08Å
262Y97.4Very high97.5Very high11 Ų1127.7 Ų27.74%0.04314%0.138CC..G310 helixtrans-49.5143-171.8174.4-128000112.3H56 R86 V240 W257 A259 P260 Y264 R265 F266 N268H56-Y262 HydrophobicContact CB-CD2 4.44Å; H56-Y262 HydrophobicContact CB-CE2 3.89Å; H56-Y262 AromaticContact CD2-CE2 3.16Å; H56-Y262 WeakPolarHBondContact CD2-CE2 3.31Å; H56-Y262 AromaticContact CD2-CZ 3.62Å; H56-Y262 PolarHBondContact CD2-OH 3.35Å; H56-Y262 AromaticContact CG-CE2 3.67Å; H56-Y262 AromaticContact NE2-CE2 3.76Å; H56-Y262 AromaticContact NE2-CZ 3.72Å; H56-Y262 PolarHBondContact NE2-OH 2.66Å; H56-Y262 VanDerWaalsContact NE2-OH 3.08Å; R86-Y262 HydrophobicContact CB-CE2 3.94Å; R86-Y262 HydrophobicContact CG-CE2 4.03Å; R86-Y262 WeakPolarHBondContact CG-OH 3.37Å; R86-Y262 PolarHBondContact NE-OH 2.82Å; R86-Y262 PolarHBondContact NH1-OH 2.89Å; V240-Y262 HydrophobicContact CG1-CD1 4.48Å; V240-Y262 HydrophobicContact CG2-CD1 3.5Å; V240-Y262 HydrophobicContact CG2-CE1 3.69Å; V240-Y262 HydrophobicContact CG2-CG 4.39Å; W257-Y262 HydrophobicContact CH2-CD1 4.43Å; W257-Y262 HydrophobicContact CH2-CD2 4.46Å; W257-Y262 HydrophobicContact CH2-CE1 4.25Å; W257-Y262 HydrophobicContact CH2-CE2 4.3Å; W257-Y262 HydrophobicContact CH2-CG 4.5Å; W257-Y262 AromaticContact CZ2-CD1 3.9Å; W257-Y262 HydrophobicContact CZ2-CD1 3.9Å; W257-Y262 AromaticContact CZ2-CD2 3.68Å; W257-Y262 HydrophobicContact CZ2-CD2 3.68Å; W257-Y262 HydrophobicContact CZ2-CE1 4.14Å; W257-Y262 AromaticContact CZ2-CE2 3.96Å; W257-Y262 HydrophobicContact CZ2-CE2 3.96Å; W257-Y262 AromaticContact CZ2-CG 3.62Å; W257-Y262 HydrophobicContact CZ2-CG 3.62Å; A259-Y262 HydrophobicContact CB-CD2 4.48Å; P260-Y262 PolarHBondContact O-N 2.91Å; Y262-Y264 PolarHBondContact O-N 3.45Å; Y262-R265 PolarHBondContact O-N 2.92Å; Y262-R265 VanDerWaalsContact O-N 3.1Å; Y262-F266 HydrophobicContact CD1-CD1 4.09Å; Y262-F266 AromaticContact CD1-CD2 3.97Å; Y262-F266 HydrophobicContact CD1-CD2 3.97Å; Y262-F266 HydrophobicContact CD1-CE1 4.03Å; Y262-F266 AromaticContact CD1-CE2 3.89Å; Y262-F266 HydrophobicContact CD1-CE2 3.89Å; Y262-F266 HydrophobicContact CD1-CG 4.06Å; Y262-F266 AromaticContact CD1-CZ 3.93Å; Y262-F266 HydrophobicContact CD1-CZ 3.93Å; Y262-F266 HydrophobicContact CE1-CE2 4.34Å; Y262-F266 HydrophobicContact CE1-CZ 4.19Å; Y262-F266 WeakPolarHBondContact O-CB 3.41Å; Y262-F266 WeakPolarHBondContact O-CD2 3.14Å; Y262-F266 PolarHBondContact O-N 3.05Å; Y262-N268 WeakPolarHBondContact CB-OD1 3.22Å; Y262-N268 PolarHBondContact N-OD1 3.2Å
263C92.3Very high97.6Very high22 Ų2225.5 Ų25.515%0.14913%0.128CC..G310 helixtrans52.121.7-171.7-63.90000113.8R265 F266C263-R265 HydrophobicContact CB-CG 4.19Å; C263-R265 PolarHBondContact O-N 3.29Å; C263-F266 HydrophobicContact CB-CD2 4.14Å; C263-F266 HydrophobicContact CB-CE2 4.06Å
264Y93.7Very high97.5Very high55 Ų5526.7 Ų26.722%0.21613%0.134CC..G310 helixtrans61.121.4-176-43.2-72.4000114.7Q58 G87 R88 N261 Y262Q58-Y264 HydrophobicContact CG-CE1 4.44Å; G87-Y264 VanDerWaalsContact CA-OH 3.25Å; G87-Y264 WeakPolarHBondContact CA-OH 3.43Å; R88-Y264 HydrophobicContact CG-CE2 3.86Å; R88-Y264 PolarHBondContact N-OH 2.78Å; N261-Y264 WeakPolarHBondContact O-CA 3.22Å; N261-Y264 PolarHBondContact O-N 2.9Å; Y262-Y264 PolarHBondContact O-N 3.45Å
265R94.6Very high97.5Very high192 Ų19226.7 Ų26.773%0.72513%0.134SC*.THydrogen-bonded Turntrans-149.2-14.2-174.570.7-175.6-174.6-177.3-0.9116.7N261 Y262 C263N261-R265 PolarHBondContact OD1-N 3.06Å; Y262-R265 PolarHBondContact O-N 2.92Å; Y262-R265 VanDerWaalsContact O-N 3.1Å; C263-R265 HydrophobicContact CB-CG 4.19Å; C263-R265 PolarHBondContact O-N 3.29Å
266F95.9Very high97.5Very high82 Ų8230.4 Ų30.436%0.3616%0.156SC..SBendtrans-75.9-25.5-173.8-83.9-121.8000112.6V240 M242 N261 Y262 C263 N268V240-F266 HydrophobicContact CG1-CD1 4.06Å; V240-F266 HydrophobicContact CG2-CD1 4.46Å; V240-F266 HydrophobicContact CG2-CE1 4.25Å; M242-F266 WeakPolarHBondContact CE-O 3.35Å; N261-F266 PolarHBondContact OD1-N 2.93Å; Y262-F266 HydrophobicContact CD1-CD1 4.09Å; Y262-F266 AromaticContact CD1-CD2 3.97Å; Y262-F266 HydrophobicContact CD1-CD2 3.97Å; Y262-F266 HydrophobicContact CD1-CE1 4.03Å; Y262-F266 AromaticContact CD1-CE2 3.89Å; Y262-F266 HydrophobicContact CD1-CE2 3.89Å; Y262-F266 HydrophobicContact CD1-CG 4.06Å; Y262-F266 AromaticContact CD1-CZ 3.93Å; Y262-F266 HydrophobicContact CD1-CZ 3.93Å; Y262-F266 HydrophobicContact CE1-CE2 4.34Å; Y262-F266 HydrophobicContact CE1-CZ 4.19Å; Y262-F266 WeakPolarHBondContact O-CB 3.41Å; Y262-F266 WeakPolarHBondContact O-CD2 3.14Å; Y262-F266 PolarHBondContact O-N 3.05Å; C263-F266 HydrophobicContact CB-CD2 4.14Å; C263-F266 HydrophobicContact CB-CE2 4.06Å; F266-N268 VanDerWaalsContact CB-OD1 3.3Å; F266-N268 WeakPolarHBondContact CB-OD1 3.48Å; F266-N268 PolarHBondContact O-N 2.67Å
267G96.5Very high97.4Very high56 Ų5631.8 Ų31.858%0.57717%0.166SC*.  trans68.510.6-178.700000115.2N261N261-G267 PolarHBondContact OD1-N 3.47Å
268N98.3Very high97.2Very high1 Ų135.1 Ų35.11%0.00519%0.188CC..  trans-71.8158.4174.965.5-71.5000112.2V240 M242 W257 A259 N261 Y262 F266V240-N268 HydrophobicContact CG1-CB 4.27Å; M242-N268 HydrophobicContact CE-CB 3.92Å; M242-N268 CarbonylContact O-C 3.56Å; M242-N268 WeakPolarHBondContact O-CA 3.44Å; M242-N268 HydrophobicContact SD-CB 3.91Å; W257-N268 PolarHBondContact NE1-ND2 3.48Å; A259-N268 PolarHBondContact O-ND2 3.47Å; N261-N268 PolarHBondContact N-O 2.98Å; N261-N268 PolarHBondContact N-OD1 2.88Å; Y262-N268 WeakPolarHBondContact CB-OD1 3.22Å; Y262-N268 PolarHBondContact N-OD1 3.2Å; F266-N268 VanDerWaalsContact CB-OD1 3.3Å; F266-N268 WeakPolarHBondContact CB-OD1 3.48Å; F266-N268 PolarHBondContact O-N 2.67Å
269L98.2Very high97Very high74 Ų7438.9 Ų38.939%0.38722%0.219SC..  trans-81.4166163.4-62.6178.7000110.9M242 G244M242-L269 PolarHBondContact O-N 3.35Å; G244-L269 WeakPolarHBondContact CA-O 3.35Å
270A98.6Very high96.9Very high0 Ų043.4 Ų43.40%024%0.243CC..EExtended strand (participates in β ladder)trans-113.4166.9165.700000110.7W257 S258 P260 T285 F286W257-A270 CarbonylContact O-C 3.48Å; W257-A270 VanDerWaalsContact O-CA 3.24Å; W257-A270 WeakPolarHBondContact O-CA 3.32Å; S258-A270 VanDerWaalsContact C-CB 3.43Å; P260-A270 HydrophobicContact CB-CB 3.75Å; P260-A270 VanDerWaalsContact CD-CB 3.46Å; P260-A270 HydrophobicContact CG-CB 4Å; A270-T285 CarbonylContact O-C 3.59Å; A270-T285 WeakPolarHBondContact O-CA 3.29Å; A270-T285 WeakPolarHBondContact O-CB 3.41Å; A270-F286 HydrophobicContact CB-CD1 4.03Å; A270-F286 HydrophobicContact CB-CD2 4.17Å; A270-F286 HydrophobicContact CB-CE1 3.55Å; A270-F286 HydrophobicContact CB-CE2 3.72Å; A270-F286 HydrophobicContact CB-CG 4.32Å; A270-F286 HydrophobicContact CB-CZ 3.38Å; A270-F286 PolarHBondContact N-O 3.13Å; A270-F286 PolarHBondContact O-N 3.13Å
271S98.8Very high96.9Very high0 Ų046.9 Ų46.90%026%0.257CS..EExtended strand (participates in β ladder)trans-144.8164.1175.672.10000113G244 W257 S258 K284G244-S271 PolarHBondContact O-OG 3.09Å; W257-S271 PolarHBondContact O-N 2.63Å; S258-S271 PolarHBondContact OG-O 2.98Å; S271-K284 CarbonylContact C-O 3.56Å; S271-K284 WeakPolarHBondContact CA-O 3.36Å; S271-K284 WeakPolarHBondContact CB-O 3.39Å
272I98.8Very high97Very high0 Ų050.7 Ų50.70%027%0.274CS..EExtended strand (participates in β ladder)trans-120.5152.3159.457.6176.8000108.8T50 L65 L68 E274 A283 K284 F286T50-I272 HydrophobicContact CG2-CB 3.63Å; T50-I272 HydrophobicContact CG2-CD1 4Å; T50-I272 HydrophobicContact CG2-CG1 4.22Å; T50-I272 HydrophobicContact CG2-CG2 4.14Å; L65-I272 HydrophobicContact CD1-CG2 3.81Å; L65-I272 HydrophobicContact CD2-CG2 4.07Å; L65-I272 HydrophobicContact CG-CG2 3.49Å; L65-I272 VanDerWaalsContact CG-CG2 3.49Å; L68-I272 HydrophobicContact CB-CD1 4.37Å; L68-I272 HydrophobicContact CD2-CD1 3.92Å; L68-I272 HydrophobicContact CD2-CG1 3.98Å; L68-I272 HydrophobicContact CG-CD1 3.87Å; L68-I272 HydrophobicContact CG-CG1 4.46Å; I272-E274 HydrophobicContact CD1-CG 4.3Å; I272-A283 CarbonylContact O-C 3.49Å; I272-A283 WeakPolarHBondContact O-CA 3.47Å; I272-K284 HydrophobicContact CD1-CB 4.35Å; I272-K284 HydrophobicContact CD1-CD 4.47Å; I272-K284 HydrophobicContact CG1-CB 3.88Å; I272-K284 PolarHBondContact N-O 2.87Å; I272-K284 PolarHBondContact O-N 3.32Å; I272-F286 HydrophobicContact CG2-CE1 4.39Å
273F98.8Very high97Very high0 Ų051.1 Ų51.10%028%0.279CS..EExtended strand (participates in β ladder)trans-118.599179.6-171.3-94.3000110.1I51 M233 F247 V254 V256 V275 Y281 A283I51-F273 HydrophobicContact CB-CB 4.23Å; I51-F273 HydrophobicContact CB-CD1 4.49Å; I51-F273 HydrophobicContact CD1-CD1 4.11Å; I51-F273 PolarHBondContact N-O 2.74Å; I51-F273 PolarHBondContact O-N 3.36Å; M233-F273 HydrophobicContact SD-CE1 4.47Å; M233-F273 HydrophobicContact SD-CZ 4.05Å; F247-F273 HydrophobicContact CE1-CE2 4.04Å; F247-F273 HydrophobicContact CE1-CZ 4.35Å; F247-F273 AromaticContact CZ-CE2 3.71Å; F247-F273 HydrophobicContact CZ-CE2 3.71Å; F247-F273 HydrophobicContact CZ-CZ 4.34Å; V254-F273 HydrophobicContact CB-CE2 4.47Å; V254-F273 HydrophobicContact CG1-CD2 4.46Å; V254-F273 HydrophobicContact CG1-CE1 4.4Å; V254-F273 HydrophobicContact CG1-CE2 4.15Å; V254-F273 HydrophobicContact CG1-CZ 4.1Å; V254-F273 HydrophobicContact CG2-CD2 4.2Å; V254-F273 HydrophobicContact CG2-CE2 4.05Å; V256-F273 HydrophobicContact CG1-CB 4.25Å; V256-F273 HydrophobicContact CG2-CB 3.72Å; V256-F273 HydrophobicContact CG2-CD2 4.44Å; V256-F273 HydrophobicContact CG2-CG 4.19Å; F273-V275 HydrophobicContact CD1-CG2 3.89Å; F273-V275 HydrophobicContact CE1-CG2 3.82Å; F273-Y281 HydrophobicContact CE1-CD2 4.3Å; F273-Y281 AromaticContact CE1-CG 3.98Å; F273-Y281 HydrophobicContact CE1-CG 3.98Å; F273-Y281 AromaticContact CE2-CD2 3.65Å; F273-Y281 HydrophobicContact CE2-CD2 3.65Å; F273-Y281 HydrophobicContact CE2-CE2 4.33Å; F273-Y281 HydrophobicContact CE2-CG 4.17Å; F273-Y281 HydrophobicContact CZ-CD1 4.19Å; F273-Y281 AromaticContact CZ-CD2 3.31Å; F273-Y281 HydrophobicContact CZ-CD2 3.31Å; F273-Y281 HydrophobicContact CZ-CE2 4.05Å; F273-Y281 AromaticContact CZ-CG 3.4Å; F273-Y281 HydrophobicContact CZ-CG 3.4Å; F273-Y281 VanDerWaalsContact CZ-CG 3.4Å; F273-A283 HydrophobicContact CD2-CB 4.17Å
274E98.6Very high97.3Very high25 Ų2552.9 Ų52.912%0.11729%0.285CS..EExtended strand (participates in β ladder)trans-82.7127-178-65.8-174-178.900110.4T50 I272 Y281 E282 K284T50-E274 HydrophobicContact CG2-CG 4.07Å; I272-E274 HydrophobicContact CD1-CG 4.3Å; E274-Y281 CarbonylContact O-C 3.5Å; E274-Y281 WeakPolarHBondContact O-CA 3.34Å; E274-Y281 WeakPolarHBondContact O-CB 3.4Å; E274-E282 PolarHBondContact N-O 3.05Å; E274-E282 PolarHBondContact O-N 3.46Å; E274-K284 VanDerWaalsContact CD-CE 3.43Å; E274-K284 WeakPolarHBondContact OE1-CD 3.48Å; E274-K284 WeakPolarHBondContact OE1-CE 3.48Å; E274-K284 IonicContact OE1-NZ 3.76Å; E274-K284 PolarHBondContact OE1-NZ 3.44Å; E274-K284 WeakPolarHBondContact OE2-CE 3.47Å; E274-K284 IonicContact OE2-NZ 3.67Å; E274-K284 PolarHBondContact OE2-NZ 3.04Å
275V98.6Very high97.5Very high0 Ų053.5 Ų53.50%029%0.294CS..EExtended strand (participates in β ladder)trans-110.6103.3172.1-175.20000107.2S47 P48 L49 I51 Y160 F273 S277S47-V275 WeakPolarHBondContact CB-O 3.38Å; P48-V275 VanDerWaalsContact CA-O 3.31Å; P48-V275 WeakPolarHBondContact CA-O 3.33Å; L49-V275 HydrophobicContact CD1-CB 4.47Å; L49-V275 PolarHBondContact N-O 3.19Å; L49-V275 PolarHBondContact O-N 3.42Å; I51-V275 HydrophobicContact CD1-CG2 4.04Å; Y160-V275 HydrophobicContact CD2-CG1 4.18Å; Y160-V275 HydrophobicContact CE2-CG1 3.74Å; F273-V275 HydrophobicContact CD1-CG2 3.89Å; F273-V275 HydrophobicContact CE1-CG2 3.82Å; V275-S277 WeakPolarHBondContact CG1-O 3.37Å
276T97.9Very high97.7Very high80 Ų8045.4 Ų45.449%0.49126%0.264SS..EExtended strand (participates in β ladder)trans-89-27-177.1580000112.5N280T276-N280 PolarHBondContact N-O 3.09Å; T276-N280 VanDerWaalsContact OG1-CB 3.29Å; T276-N280 WeakPolarHBondContact OG1-CB 3.28Å; T276-N280 PolarHBondContact OG1-O 3.38Å
277S97.1Very high97.8Very high30 Ų3043 Ų4321%0.2126%0.262CS..EExtended strand (participates in β ladder)trans-154168.8172.984.20000109.5S47 V275 A279 N280S47-S277 WeakPolarHBondContact OG-CA 3.45Å; V275-S277 WeakPolarHBondContact CG1-O 3.37Å; S277-A279 PolarHBondContact O-N 3.33Å; S277-A279 PolarHBondContact OG-N 3.02Å; S277-N280 PolarHBondContact N-O 2.66Å; S277-N280 PolarHBondContact O-N 3.34Å; S277-N280 VanDerWaalsContact O-N 3.07Å; S277-N280 WeakPolarHBondContact OG-CB 3.38Å; S277-N280 PolarHBondContact OG-N 3.27Å; S277-N280 PolarHBondContact OG-ND2 2.92Å
278P94.1Very high97.8Very high73 Ų7343 Ų4347%0.47425%0.253SS..THydrogen-bonded Turntrans-55-21.3176.2-24.932.1000114.6D157 Y160D157-P278 HydrophobicContact CB-CB 4.07Å; D157-P278 HydrophobicContact CB-CG 3.87Å; Y160-P278 PolarHBondContact OH-O 3.42Å
279A94.5Very high97.6Very high80 Ų8043.3 Ų43.366%0.66126%0.255SS*.THydrogen-bonded Turntrans-108.1-10.2-179.300000114.2S277S277-A279 PolarHBondContact O-N 3.33Å; S277-A279 PolarHBondContact OG-N 3.02Å
280N97.5Very high96.8Very high94 Ų9446.7 Ų46.750%0.50327%0.273SS..EExtended strand (participates in β ladder)trans-126.2114.2-170.6-63.1-33.4000110.7T276 S277T276-N280 PolarHBondContact N-O 3.09Å; T276-N280 VanDerWaalsContact OG1-CB 3.29Å; T276-N280 WeakPolarHBondContact OG1-CB 3.28Å; T276-N280 PolarHBondContact OG1-O 3.38Å; S277-N280 PolarHBondContact N-O 2.66Å; S277-N280 PolarHBondContact O-N 3.34Å; S277-N280 VanDerWaalsContact O-N 3.07Å; S277-N280 WeakPolarHBondContact OG-CB 3.38Å; S277-N280 PolarHBondContact OG-N 3.27Å; S277-N280 PolarHBondContact OG-ND2 2.92Å
281Y97.9Very high95.4Very high73 Ų7352.2 Ų52.229%0.28630%0.299SS..EExtended strand (participates in β ladder)trans-132.1153.5172.256-102.5000111.3Y160 M233 F247 N251 F273 E274Y160-Y281 HydrophobicContact CE1-CD1 4.11Å; Y160-Y281 HydrophobicContact CE1-CE1 4.43Å; Y160-Y281 WeakPolarHBondContact OH-CD1 3.15Å; M233-Y281 HydrophobicContact CE-CD1 4.36Å; M233-Y281 HydrophobicContact CE-CE1 3.64Å; M233-Y281 HydrophobicContact CE-CE2 4.19Å; F247-Y281 AromaticContact CE1-CE2 3.88Å; F247-Y281 HydrophobicContact CE1-CE2 3.88Å; F247-Y281 HydrophobicContact CZ-CD2 4.13Å; F247-Y281 AromaticContact CZ-CE2 3.56Å; F247-Y281 HydrophobicContact CZ-CE2 3.56Å; N251-Y281 PolarHBondContact ND2-OH 3.4Å; F273-Y281 HydrophobicContact CE1-CD2 4.3Å; F273-Y281 AromaticContact CE1-CG 3.98Å; F273-Y281 HydrophobicContact CE1-CG 3.98Å; F273-Y281 AromaticContact CE2-CD2 3.65Å; F273-Y281 HydrophobicContact CE2-CD2 3.65Å; F273-Y281 HydrophobicContact CE2-CE2 4.33Å; F273-Y281 HydrophobicContact CE2-CG 4.17Å; F273-Y281 HydrophobicContact CZ-CD1 4.19Å; F273-Y281 AromaticContact CZ-CD2 3.31Å; F273-Y281 HydrophobicContact CZ-CD2 3.31Å; F273-Y281 HydrophobicContact CZ-CE2 4.05Å; F273-Y281 AromaticContact CZ-CG 3.4Å; F273-Y281 HydrophobicContact CZ-CG 3.4Å; F273-Y281 VanDerWaalsContact CZ-CG 3.4Å; E274-Y281 CarbonylContact O-C 3.5Å; E274-Y281 WeakPolarHBondContact O-CA 3.34Å; E274-Y281 WeakPolarHBondContact O-CB 3.4Å
282E98Very high93.5Very high116 Ų11652.9 Ų52.954%0.54230%0.303SS..EExtended strand (participates in β ladder)trans-143136.5177.4-176.9179.6-165.100110.1E274 K284E274-E282 PolarHBondContact N-O 3.05Å; E274-E282 PolarHBondContact O-N 3.46Å; E282-K284 HydrophobicContact CG-CG 4.42Å
283A98.5Very high91.2Very high20 Ų2057 Ų5717%0.16533%0.332CS..EExtended strand (participates in β ladder)trans-94.7126.6169.800000109.9Y245 I272 F273Y245-A283 HydrophobicContact CD1-CB 3.68Å; Y245-A283 HydrophobicContact CD2-CB 3.72Å; Y245-A283 HydrophobicContact CE1-CB 3.66Å; Y245-A283 HydrophobicContact CE2-CB 3.71Å; Y245-A283 HydrophobicContact CG-CB 3.71Å; I272-A283 CarbonylContact O-C 3.49Å; I272-A283 WeakPolarHBondContact O-CA 3.47Å; F273-A283 HydrophobicContact CD2-CB 4.17Å
284K98.6Very high88.6Confident60 Ų6062 Ų6226%0.26136%0.359SS..EExtended strand (participates in β ladder)trans-113.3128.9174.8-60.9-179.9-175.81660109.7L68 S271 I272 E274 E282L68-K284 HydrophobicContact CD1-CB 4.46Å; L68-K284 HydrophobicContact CD2-CB 3.9Å; L68-K284 HydrophobicContact CG-CB 4.3Å; S271-K284 CarbonylContact C-O 3.56Å; S271-K284 WeakPolarHBondContact CA-O 3.36Å; S271-K284 WeakPolarHBondContact CB-O 3.39Å; I272-K284 HydrophobicContact CD1-CB 4.35Å; I272-K284 HydrophobicContact CD1-CD 4.47Å; I272-K284 HydrophobicContact CG1-CB 3.88Å; I272-K284 PolarHBondContact N-O 2.87Å; I272-K284 PolarHBondContact O-N 3.32Å; E274-K284 VanDerWaalsContact CD-CE 3.43Å; E274-K284 WeakPolarHBondContact OE1-CD 3.48Å; E274-K284 WeakPolarHBondContact OE1-CE 3.48Å; E274-K284 IonicContact OE1-NZ 3.76Å; E274-K284 PolarHBondContact OE1-NZ 3.44Å; E274-K284 WeakPolarHBondContact OE2-CE 3.47Å; E274-K284 IonicContact OE2-NZ 3.67Å; E274-K284 PolarHBondContact OE2-NZ 3.04Å; E282-K284 HydrophobicContact CG-CG 4.42Å
285T98.5Very high85.8Confident67 Ų6763.6 Ų63.641%0.41138%0.376SS..EExtended strand (participates in β ladder)trans-102.3150.5-175.955.80000112.9E243 Y245 A270E243-T285 WeakPolarHBondContact O-CG2 3.44Å; Y245-T285 HydrophobicContact CD1-CG2 3.9Å; Y245-T285 HydrophobicContact CE1-CG2 3.74Å; A270-T285 CarbonylContact O-C 3.59Å; A270-T285 WeakPolarHBondContact O-CA 3.29Å; A270-T285 WeakPolarHBondContact O-CB 3.41Å
286F98.3Very high82.7Confident23 Ų2369.3 Ų69.310%0.10141%0.411CS..EExtended strand (participates in β ladder)trans-143.6156.2173.561.1-75.8000112.1E64 L65 L68 P260 A270 I272E64-F286 HydrophobicContact CB-CD2 4.26Å; E64-F286 HydrophobicContact CB-CE2 4.49Å; L65-F286 HydrophobicContact CB-CE1 4.35Å; L65-F286 HydrophobicContact CB-CE2 4.39Å; L65-F286 HydrophobicContact CB-CZ 3.85Å; L65-F286 HydrophobicContact CD1-CZ 4.3Å; L65-F286 HydrophobicContact CG-CZ 4.37Å; L68-F286 HydrophobicContact CD2-CB 4.1Å; L68-F286 HydrophobicContact CD2-CD1 3.63Å; L68-F286 HydrophobicContact CD2-CE1 4.47Å; L68-F286 HydrophobicContact CD2-CG 4.19Å; P260-F286 HydrophobicContact CG-CD2 4.3Å; P260-F286 HydrophobicContact CG-CE2 4.01Å; A270-F286 HydrophobicContact CB-CD1 4.03Å; A270-F286 HydrophobicContact CB-CD2 4.17Å; A270-F286 HydrophobicContact CB-CE1 3.55Å; A270-F286 HydrophobicContact CB-CE2 3.72Å; A270-F286 HydrophobicContact CB-CG 4.32Å; A270-F286 HydrophobicContact CB-CZ 3.38Å; A270-F286 PolarHBondContact N-O 3.13Å; A270-F286 PolarHBondContact O-N 3.13Å; I272-F286 HydrophobicContact CG2-CE1 4.39Å
287G97.3Very high79.4Confident31 Ų3171.2 Ų71.232%0.3243%0.428SS..  trans-93.7179.2174.200000112.3
288P96.6Very high76.2Confident57 Ų5775.2 Ų75.237%0.3746%0.463SS..  trans-67.5144.3-179.930.1-35.6000112D61 P260 N261 S292D61-P288 WeakPolarHBondContact OD1-CA 3.19Å; P260-P288 HydrophobicContact CB-CB 4.23Å; P260-P288 HydrophobicContact CG-CB 4.16Å; N261-P288 HydrophobicContact CB-CB 4.08Å; N261-P288 HydrophobicContact CB-CG 4.08Å; P288-S292 WeakPolarHBondContact CB-OG 3.43Å
289A94.1Very high73.3Confident6 Ų680.1 Ų80.15%0.0551%0.51CS..  trans-59.7147.417400000110.5F60 D61 E64 H291 S292F60-A289 HydrophobicContact CB-CB 3.84Å; D61-A289 WeakPolarHBondContact OD1-CB 3.39Å; D61-A289 PolarHBondContact OD1-N 2.92Å; E64-A289 HydrophobicContact CG-CB 3.67Å; A289-H291 PolarHBondContact O-N 3.2Å; A289-H291 VanDerWaalsContact O-N 3.09Å; A289-S292 VanDerWaalsContact O-CB 3.22Å; A289-S292 WeakPolarHBondContact O-CB 3.34Å; A289-S292 PolarHBondContact O-N 3.36Å; A289-S292 PolarHBondContact O-OG 2.74Å
290N82.9Confident72.3Confident145 Ų14580.2 Ų80.278%0.77550%0.502SS*.G310 helixtrans-56.6-31.1179.9-70.3-24.3000113.1
291H68.7Low70.9Confident116 Ų11679.4 Ų79.454%0.53750%0.502SS..G310 helixtrans-86.3-2.2179.3-60.9-58.2000114.3F60 A289 S293 D294F60-H291 HydrophobicContact CD1-CB 4.34Å; F60-H291 HydrophobicContact CD2-CB 4.35Å; F60-H291 HydrophobicContact CG-CB 4.22Å; A289-H291 PolarHBondContact O-N 3.2Å; A289-H291 VanDerWaalsContact O-N 3.09Å; H291-S293 PolarHBondContact O-N 3.09Å; H291-D294 IonicContact ND1-OD2 3.78Å; H291-D294 PolarHBondContact ND1-OD2 3.12Å
292S58.8Low69.4Low14 Ų1479.8 Ų79.810%0.09851%0.514CS..G310 helixtrans-67.5-25-179.865.20000112.8P288 A289P288-S292 WeakPolarHBondContact CB-OG 3.43Å; A289-S292 VanDerWaalsContact O-CB 3.22Å; A289-S292 WeakPolarHBondContact O-CB 3.34Å; A289-S292 PolarHBondContact O-N 3.36Å; A289-S292 PolarHBondContact O-OG 2.74Å
293S50Low67.8Low86 Ų8677.6 Ų77.660%0.60151%0.513SS*.G310 helixtrans-103.3-0.9-174.659.60000114.5H291 A295H291-S293 PolarHBondContact O-N 3.09Å; S293-A295 PolarHBondContact O-N 2.69Å
294D44.3Very low65.8Low105 Ų10581.3 Ų81.356%0.56154%0.535SS*.  trans-71.977.7178.4-76-28.1000110.4H291H291-D294 IonicContact ND1-OD2 3.78Å; H291-D294 PolarHBondContact ND1-OD2 3.12Å
295A40Very low63.7Low59 Ų5982.7 Ų82.749%0.48855%0.553SS.*  trans-103.566.1164.300000108.2R88 S293R88-A295 VanDerWaalsContact NH1-CB 3.3Å; S293-A295 PolarHBondContact O-N 2.69Å
296T33Very low61.2Low120 Ų12083.8 Ų83.874%0.73656%0.563SS**  trans-123.1111.9167.339.30000110.8
297S29.5Very low58.3Low120 Ų12088.5 Ų88.584%0.83960%0.598SS**  trans63.489.8161.965.10000118.8
298A29.9Very low55.1Low115 Ų11593.3 Ų93.395%0.9562%0.622SS**  trans-139.182.9138.200000107.9
299A33.2Very low51.3Low176 Ų17696.5 Ų96.5100%1.45565%0.645SS**  trans-122.80160.100000106.7

Retrieved 299 of 299 residues in 193.5 ms (Link to these results)

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