A0A5K4F312_SCHMA Loading...

Estradiol 17-beta-dehydrogenase 12

AlphaFold DB , UniProt , Accession A0A5K4F312, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 320 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
1M47Very low77Confident241 Ų241112.4 Ų112.4100%1.18762%0.619SS**  0101.50-85171141.300107.4T3M1-T3 PolarHBondContact O-N 3.22Å
2T64.4Low78.1Confident144 Ų144113.4 Ų113.488%0.88362%0.617SS**  trans-72.6115.6171.725.90000107.8L4T2-L4 PolarHBondContact O-N 3.36Å; T2-L4 VanDerWaalsContact O-N 3.14Å
3T69.6Low79Confident137 Ų137111 Ų11184%0.8460%0.598SS**  trans-69.5105173.546.70000108M1 S5M1-T3 PolarHBondContact O-N 3.22Å; T3-S5 PolarHBondContact O-N 2.86Å
4L72.3Confident79.9Confident78 Ų78115.2 Ų115.241%0.40860%0.601SS.*  trans-52136.2166.3-80.5150.4000108.7T2 E8 L9 E12T2-L4 PolarHBondContact O-N 3.36Å; T2-L4 VanDerWaalsContact O-N 3.14Å; L4-E8 HydrophobicContact CB-CB 4.4Å; L4-E8 HydrophobicContact CD2-CB 3.51Å; L4-E8 HydrophobicContact CD2-CG 4.4Å; L4-L9 HydrophobicContact CD1-CD1 4.48Å; L4-E12 WeakPolarHBondContact CD1-OE2 3.4Å
5S85.5Confident80.7Confident54 Ų54115.4 Ų115.438%0.37860%0.602SS.*  trans-62.1154.1168.368.30000109.7T3 V7 E8 L9T3-S5 PolarHBondContact O-N 2.86Å; S5-V7 PolarHBondContact O-N 2.86Å; S5-V7 VanDerWaalsContact O-N 3.13Å; S5-E8 WeakPolarHBondContact CB-OE2 3.34Å; S5-E8 PolarHBondContact N-OE2 2.84Å; S5-E8 PolarHBondContact O-N 3.23Å; S5-E8 VanDerWaalsContact OG-CG 3.25Å; S5-E8 WeakPolarHBondContact OG-CG 3.34Å; S5-E8 PolarHBondContact OG-N 2.98Å; S5-E8 PolarHBondContact OG-OE2 2.98Å; S5-L9 PolarHBondContact O-N 3.48Å
6I82.9Confident81.5Confident134 Ų134114.8 Ų114.869%0.68760%0.6SS**Hα-helixtrans-54.1-36.3178.8-66172.3000111.2I10I6-I10 HydrophobicContact CG2-CD1 3.79Å; I6-I10 HydrophobicContact CG2-CG1 4.47Å; I6-I10 VanDerWaalsContact O-CG1 3.25Å; I6-I10 WeakPolarHBondContact O-CG1 3.42Å; I6-I10 PolarHBondContact O-N 3.08Å
7V84.7Confident82.1Confident104 Ų104113.2 Ų113.263%0.6359%0.591SS**Hα-helixtrans-67.4-43.1179.2179.40000111.4S5 I10 T11S5-V7 PolarHBondContact O-N 2.86Å; S5-V7 VanDerWaalsContact O-N 3.13Å; V7-I10 PolarHBondContact O-N 2.86Å; V7-T11 WeakPolarHBondContact O-CB 3.32Å; V7-T11 PolarHBondContact O-N 3.36Å; V7-T11 PolarHBondContact O-OG1 3.37Å
8E86Confident82.8Confident101 Ų101112.3 Ų112.347%0.47259%0.587SS.*Hα-helixtrans-66-43.1177.4-69161.5148.500110.9L4 S5 I10 T11 E12L4-E8 HydrophobicContact CB-CB 4.4Å; L4-E8 HydrophobicContact CD2-CB 3.51Å; L4-E8 HydrophobicContact CD2-CG 4.4Å; S5-E8 WeakPolarHBondContact CB-OE2 3.34Å; S5-E8 PolarHBondContact N-OE2 2.84Å; S5-E8 PolarHBondContact O-N 3.23Å; S5-E8 VanDerWaalsContact OG-CG 3.25Å; S5-E8 WeakPolarHBondContact OG-CG 3.34Å; S5-E8 PolarHBondContact OG-N 2.98Å; S5-E8 PolarHBondContact OG-OE2 2.98Å; E8-I10 PolarHBondContact O-N 2.86Å; E8-T11 PolarHBondContact O-N 3.45Å; E8-T11 VanDerWaalsContact O-N 3.11Å; E8-E12 WeakPolarHBondContact O-CB 3.35Å; E8-E12 WeakPolarHBondContact O-CG 3.25Å; E8-E12 PolarHBondContact O-N 3.48Å
9L83.6Confident83.4Confident83 Ų83111.5 Ų111.544%0.43558%0.582SS.*Hα-helixtrans-59.1-45176-171.975000112L4 S5 T11 H13L4-L9 HydrophobicContact CD1-CD1 4.48Å; S5-L9 PolarHBondContact O-N 3.48Å; L9-T11 VanDerWaalsContact C-N 3.32Å; L9-H13 VanDerWaalsContact CD1-CD2 3.46Å; L9-H13 WeakPolarHBondContact CD1-CD2 3.49Å; L9-H13 WeakPolarHBondContact O-CB 3.37Å; L9-H13 PolarHBondContact O-CD2 2.93Å; L9-H13 VanDerWaalsContact O-CD2 3.29Å; L9-H13 PolarHBondContact O-N 3.22Å
10I84.7Confident84Confident88 Ų88109.2 Ų109.245%0.45157%0.573SS.*Hα-helixtrans-64.3-39.8176-69.2167.6000110.6I6 V7 E8 R14 L17I6-I10 HydrophobicContact CG2-CD1 3.79Å; I6-I10 HydrophobicContact CG2-CG1 4.47Å; I6-I10 VanDerWaalsContact O-CG1 3.25Å; I6-I10 WeakPolarHBondContact O-CG1 3.42Å; I6-I10 PolarHBondContact O-N 3.08Å; V7-I10 PolarHBondContact O-N 2.86Å; E8-I10 PolarHBondContact O-N 2.86Å; I10-R14 WeakPolarHBondContact O-CA 3.03Å; I10-R14 WeakPolarHBondContact O-CB 3.27Å; I10-R14 PolarHBondContact O-N 3.22Å; I10-L17 HydrophobicContact CB-CD1 4.29Å; I10-L17 HydrophobicContact CG1-CD1 4.17Å; I10-L17 HydrophobicContact CG2-CD1 4.12Å
11T86.4Confident84.5Confident72 Ų72110.8 Ų110.844%0.44258%0.575SS.*Hα-helixtrans-69.8-41.2-177.8-56.60000112.1V7 E8 L9 R14V7-T11 WeakPolarHBondContact O-CB 3.32Å; V7-T11 PolarHBondContact O-N 3.36Å; V7-T11 PolarHBondContact O-OG1 3.37Å; E8-T11 PolarHBondContact O-N 3.45Å; E8-T11 VanDerWaalsContact O-N 3.11Å; L9-T11 VanDerWaalsContact C-N 3.32Å; T11-R14 WeakPolarHBondContact O-CG 3.48Å; T11-R14 PolarHBondContact O-NH1 2.92Å; T11-R14 VanDerWaalsContact O-NH1 3.16Å
12E90.3Very high86.8Confident125 Ų125103.1 Ų103.158%0.58454%0.538SS*.Hα-helixtrans-67.5-41.7175.8-74.5-171.5168.500111.7L4 E8L4-E12 WeakPolarHBondContact CD1-OE2 3.4Å; E8-E12 WeakPolarHBondContact O-CB 3.35Å; E8-E12 WeakPolarHBondContact O-CG 3.25Å; E8-E12 PolarHBondContact O-N 3.48Å
13H90.1Very high88.3Confident82 Ų82102.8 Ų102.838%0.3853%0.525SS..SBendtrans-100.414.5-177.1-60.9-62.2000114.6L9 L15 L16 L17L9-H13 VanDerWaalsContact CD1-CD2 3.46Å; L9-H13 WeakPolarHBondContact CD1-CD2 3.49Å; L9-H13 WeakPolarHBondContact O-CB 3.37Å; L9-H13 PolarHBondContact O-CD2 2.93Å; L9-H13 VanDerWaalsContact O-CD2 3.29Å; L9-H13 PolarHBondContact O-N 3.22Å; H13-L15 PolarHBondContact O-N 2.94Å; H13-L15 VanDerWaalsContact O-N 3.08Å; H13-L16 WeakPolarHBondContact O-CB 3.3Å; H13-L16 PolarHBondContact O-N 2.79Å; H13-L17 PolarHBondContact O-N 3.3Å
14R91.2Very high89.6Confident170 Ų170101.2 Ų101.264%0.64251%0.51SS*.Hα-helixtrans-51.1-39.9-173.564.6179.8-179.1-106.26.4114.2I10 T11 L18I10-R14 WeakPolarHBondContact O-CA 3.03Å; I10-R14 WeakPolarHBondContact O-CB 3.27Å; I10-R14 PolarHBondContact O-N 3.22Å; T11-R14 WeakPolarHBondContact O-CG 3.48Å; T11-R14 PolarHBondContact O-NH1 2.92Å; T11-R14 VanDerWaalsContact O-NH1 3.16Å; R14-L18 WeakPolarHBondContact O-CB 3.11Å; R14-L18 PolarHBondContact O-N 2.93Å
15L92.1Very high90.7Very high118 Ų118103.8 Ų103.862%0.61852%0.515SS*.Hα-helixtrans-70.2-42.7-179.7-179.162.1000111.4H13 L18 I19H13-L15 PolarHBondContact O-N 2.94Å; H13-L15 VanDerWaalsContact O-N 3.08Å; L15-L18 PolarHBondContact O-N 3.1Å; L15-I19 HydrophobicContact CD1-CD1 4.21Å; L15-I19 HydrophobicContact CD1-CG1 4.47Å; L15-I19 HydrophobicContact CG-CD1 4.01Å; L15-I19 VanDerWaalsContact O-CG1 3.28Å; L15-I19 WeakPolarHBondContact O-CG1 3.21Å; L15-I19 PolarHBondContact O-N 3.05Å
16L93.1Very high91.1Very high106 Ų106104.8 Ų104.856%0.55552%0.515SS*.Hα-helixtrans-62.9-46.6176.318062.9000110.4H13 L18 I19 T20H13-L16 WeakPolarHBondContact O-CB 3.3Å; H13-L16 PolarHBondContact O-N 2.79Å; L16-L18 VanDerWaalsContact C-N 3.32Å; L16-L18 PolarHBondContact O-N 3.39Å; L16-I19 PolarHBondContact O-N 3.14Å; L16-T20 WeakPolarHBondContact O-CB 3.46Å; L16-T20 PolarHBondContact O-N 2.94Å; L16-T20 PolarHBondContact O-OG1 3.46Å
17L92.5Very high91.7Very high88 Ų88100.7 Ų100.746%0.46150%0.498SS..Hα-helixtrans-59-42.7176.5-69.7172.3000111.9I10 H13 T20 F21I10-L17 HydrophobicContact CB-CD1 4.29Å; I10-L17 HydrophobicContact CG1-CD1 4.17Å; I10-L17 HydrophobicContact CG2-CD1 4.12Å; H13-L17 PolarHBondContact O-N 3.3Å; L17-T20 PolarHBondContact O-N 3.09Å; L17-F21 WeakPolarHBondContact O-CB 3.35Å; L17-F21 PolarHBondContact O-N 3.34Å
18L93.6Very high92.3Very high97 Ų97101 Ų10151%0.50849%0.491SS..Hα-helixtrans-63-46.2176.1-179.563.7000111.8R14 L15 L16 F21 I22R14-L18 WeakPolarHBondContact O-CB 3.11Å; R14-L18 PolarHBondContact O-N 2.93Å; L15-L18 PolarHBondContact O-N 3.1Å; L16-L18 VanDerWaalsContact C-N 3.32Å; L16-L18 PolarHBondContact O-N 3.39Å; L18-F21 PolarHBondContact O-N 3.3Å; L18-I22 HydrophobicContact CD1-CD1 4.1Å; L18-I22 HydrophobicContact CD1-CG1 4.4Å; L18-I22 HydrophobicContact CG-CD1 3.95Å; L18-I22 VanDerWaalsContact O-CG1 3.28Å; L18-I22 WeakPolarHBondContact O-CG1 3.39Å; L18-I22 PolarHBondContact O-N 2.88Å
19I94.9Very high92.7Very high96 Ų9698.8 Ų98.849%0.49248%0.48SS..Hα-helixtrans-61.5-45.6177.4-69.1166000110.4L15 L16 F21 I22 F23L15-I19 HydrophobicContact CD1-CD1 4.21Å; L15-I19 HydrophobicContact CD1-CG1 4.47Å; L15-I19 HydrophobicContact CG-CD1 4.01Å; L15-I19 VanDerWaalsContact O-CG1 3.28Å; L15-I19 WeakPolarHBondContact O-CG1 3.21Å; L15-I19 PolarHBondContact O-N 3.05Å; L16-I19 PolarHBondContact O-N 3.14Å; I19-F21 VanDerWaalsContact C-N 3.34Å; I19-F21 PolarHBondContact O-N 2.94Å; I19-I22 PolarHBondContact O-N 2.92Å; I19-F23 WeakPolarHBondContact O-CB 3.34Å; I19-F23 PolarHBondContact O-N 2.9Å
20T95Very high93.3Very high66 Ų6699.8 Ų99.841%0.40549%0.486SS..Hα-helixtrans-61.3-42.6177.1-58.30000111.5L16 L17 F23 I24L16-T20 WeakPolarHBondContact O-CB 3.46Å; L16-T20 PolarHBondContact O-N 2.94Å; L16-T20 PolarHBondContact O-OG1 3.46Å; L17-T20 PolarHBondContact O-N 3.09Å; T20-F23 PolarHBondContact O-N 3.42Å; T20-I24 HydrophobicContact CG2-CD1 3.9Å; T20-I24 HydrophobicContact CG2-CG1 4.47Å; T20-I24 VanDerWaalsContact O-CG1 3.29Å; T20-I24 WeakPolarHBondContact O-CG1 3.44Å; T20-I24 PolarHBondContact O-N 3.36Å
21F95.2Very high93.8Very high142 Ų14298.1 Ų98.162%0.62348%0.481SS*.Hα-helixtrans-63.6-45.3177-176.7-97.6000112.2L17 L18 I19 F23 I24 W25L17-F21 WeakPolarHBondContact O-CB 3.35Å; L17-F21 PolarHBondContact O-N 3.34Å; L18-F21 PolarHBondContact O-N 3.3Å; I19-F21 VanDerWaalsContact C-N 3.34Å; I19-F21 PolarHBondContact O-N 2.94Å; F21-F23 VanDerWaalsContact C-N 3.32Å; F21-F23 PolarHBondContact O-N 3.02Å; F21-I24 PolarHBondContact O-N 3.47Å; F21-W25 WeakPolarHBondContact O-CB 3.45Å; F21-W25 PolarHBondContact O-N 3.17Å
22I95.1Very high94.2Very high80 Ų8097.8 Ų97.841%0.4148%0.475SS..Hα-helixtrans-60.2-44.4175.4-68.6167.6000110.2L18 I19 W25 I26L18-I22 HydrophobicContact CD1-CD1 4.1Å; L18-I22 HydrophobicContact CD1-CG1 4.4Å; L18-I22 HydrophobicContact CG-CD1 3.95Å; L18-I22 VanDerWaalsContact O-CG1 3.28Å; L18-I22 WeakPolarHBondContact O-CG1 3.39Å; L18-I22 PolarHBondContact O-N 2.88Å; I19-I22 PolarHBondContact O-N 2.92Å; I22-W25 PolarHBondContact O-N 2.85Å; I22-I26 HydrophobicContact CG2-CD1 3.75Å; I22-I26 HydrophobicContact CG2-CG1 4.37Å; I22-I26 VanDerWaalsContact O-CG1 3.29Å; I22-I26 WeakPolarHBondContact O-CG1 3.46Å; I22-I26 PolarHBondContact O-N 3.22Å
23F96.4Very high94.4Very high138 Ų13894.6 Ų94.661%0.60546%0.461SS*.Hα-helixtrans-61.3-49.6177.8-178.2-96.2000111.9I19 T20 F21 W25 I26 S27I19-F23 WeakPolarHBondContact O-CB 3.34Å; I19-F23 PolarHBondContact O-N 2.9Å; T20-F23 PolarHBondContact O-N 3.42Å; F21-F23 VanDerWaalsContact C-N 3.32Å; F21-F23 PolarHBondContact O-N 3.02Å; F23-W25 VanDerWaalsContact C-N 3.28Å; F23-W25 PolarHBondContact O-N 2.92Å; F23-I26 PolarHBondContact O-N 3.17Å; F23-S27 WeakPolarHBondContact O-CB 3.3Å; F23-S27 PolarHBondContact O-N 3.45Å; F23-S27 PolarHBondContact O-OG 3.47Å; F23-S27 VanDerWaalsContact O-OG 3.1Å
24I96.7Very high94.7Very high104 Ų10495.3 Ų95.353%0.53347%0.468SS..Hα-helixtrans-57.4-43.9176.8-70167.7000110.6T20 F21 S27 F28T20-I24 HydrophobicContact CG2-CD1 3.9Å; T20-I24 HydrophobicContact CG2-CG1 4.47Å; T20-I24 VanDerWaalsContact O-CG1 3.29Å; T20-I24 WeakPolarHBondContact O-CG1 3.44Å; T20-I24 PolarHBondContact O-N 3.36Å; F21-I24 PolarHBondContact O-N 3.47Å; I24-S27 PolarHBondContact O-N 3.27Å; I24-F28 VanDerWaalsContact O-CB 3.31Å; I24-F28 WeakPolarHBondContact O-CB 3.49Å; I24-F28 PolarHBondContact O-N 3.34Å
25W94.6Very high94.9Very high131 Ų13192 Ų9250%0.49646%0.462SS..Hα-helixtrans-62.7-45.4177.8-178.883.1000112.1F21 I22 F23 F28 K29F21-W25 WeakPolarHBondContact O-CB 3.45Å; F21-W25 PolarHBondContact O-N 3.17Å; I22-W25 PolarHBondContact O-N 2.85Å; F23-W25 VanDerWaalsContact C-N 3.28Å; F23-W25 PolarHBondContact O-N 2.92Å; W25-F28 PolarHBondContact O-N 2.88Å; W25-K29 HydrophobicContact CD2-CG 4.38Å; W25-K29 HydrophobicContact CZ2-CG 4.27Å; W25-K29 WeakPolarHBondContact O-CG 3.33Å; W25-K29 PolarHBondContact O-N 3.13Å
26I94.6Very high95Very high76 Ų7687.1 Ų87.139%0.3944%0.437SS..Hα-helixtrans-62.2-48.2175.8-68.7170.1000110.7I22 F23 F28 K29 L30I22-I26 HydrophobicContact CG2-CD1 3.75Å; I22-I26 HydrophobicContact CG2-CG1 4.37Å; I22-I26 VanDerWaalsContact O-CG1 3.29Å; I22-I26 WeakPolarHBondContact O-CG1 3.46Å; I22-I26 PolarHBondContact O-N 3.22Å; F23-I26 PolarHBondContact O-N 3.17Å; I26-F28 VanDerWaalsContact C-N 3.29Å; I26-F28 PolarHBondContact O-N 2.84Å; I26-K29 PolarHBondContact O-N 3.36Å; I26-K29 VanDerWaalsContact O-N 3.11Å; I26-L30 HydrophobicContact CG2-CD1 3.92Å; I26-L30 HydrophobicContact CG2-CG 4.34Å; I26-L30 WeakPolarHBondContact O-CG 3.39Å; I26-L30 PolarHBondContact O-N 3.37Å
27S96Very high95.2Very high48 Ų4888.2 Ų88.234%0.33644%0.435SS..Hα-helixtrans-59.4-40.3177.9-62.60000111.9F23 I24 L30 S31F23-S27 WeakPolarHBondContact O-CB 3.3Å; F23-S27 PolarHBondContact O-N 3.45Å; F23-S27 PolarHBondContact O-OG 3.47Å; F23-S27 VanDerWaalsContact O-OG 3.1Å; I24-S27 PolarHBondContact O-N 3.27Å; S27-L30 PolarHBondContact O-N 3.48Å; S27-S31 PolarHBondContact O-N 2.97Å
28F96.1Very high95.4Very high110 Ų11087.1 Ų87.148%0.48243%0.429SS..Hα-helixtrans-64.3-40.5174.1178.9-104.2000112.3I24 W25 I26 S31 Q32I24-F28 VanDerWaalsContact O-CB 3.31Å; I24-F28 WeakPolarHBondContact O-CB 3.49Å; I24-F28 PolarHBondContact O-N 3.34Å; W25-F28 PolarHBondContact O-N 2.88Å; I26-F28 VanDerWaalsContact C-N 3.29Å; I26-F28 PolarHBondContact O-N 2.84Å; F28-S31 PolarHBondContact O-N 3.33Å; F28-S31 PolarHBondContact O-OG 2.84Å; F28-Q32 HydrophobicContact CE1-CG 4.37Å; F28-Q32 VanDerWaalsContact CE1-NE2 3.27Å; F28-Q32 HydrophobicContact CZ-CG 4.39Å; F28-Q32 VanDerWaalsContact CZ-NE2 3.32Å; F28-Q32 WeakPolarHBondContact O-CG 3.23Å; F28-Q32 PolarHBondContact O-N 3.14Å; F28-Q32 VanDerWaalsContact O-N 3.11Å
29K95Very high95.5Very high54 Ų5486.8 Ų86.824%0.23542%0.424CS..Hα-helixtrans-65.8-40.5173.9-70.2-55.8-176.9-177.40112.4W25 I26 S31 Q32 L33 F291 L295W25-K29 HydrophobicContact CD2-CG 4.38Å; W25-K29 HydrophobicContact CZ2-CG 4.27Å; W25-K29 WeakPolarHBondContact O-CG 3.33Å; W25-K29 PolarHBondContact O-N 3.13Å; I26-K29 PolarHBondContact O-N 3.36Å; I26-K29 VanDerWaalsContact O-N 3.11Å; K29-S31 VanDerWaalsContact C-N 3.35Å; K29-Q32 PolarHBondContact O-N 2.69Å; K29-L33 PolarHBondContact O-N 3.3Å; K29-F291 HydrophobicContact CB-CZ 4.09Å; K29-F291 HydrophobicContact CD-CZ 4.28Å; K29-F291 VanDerWaalsContact O-CZ 3.3Å; K29-F291 WeakPolarHBondContact O-CZ 3.36Å; K29-L295 HydrophobicContact CD-CD2 3.97Å; K29-L295 HydrophobicContact CG-CD2 4.45Å
30L95Very high95.6Very high105 Ų10583 Ų8355%0.5540%0.403SS..Hα-helixtrans-64.1-38.3175.3-73.5171.1000112.1I26 S27 L33 L34I26-L30 HydrophobicContact CG2-CD1 3.92Å; I26-L30 HydrophobicContact CG2-CG 4.34Å; I26-L30 WeakPolarHBondContact O-CG 3.39Å; I26-L30 PolarHBondContact O-N 3.37Å; S27-L30 PolarHBondContact O-N 3.48Å; L30-L33 PolarHBondContact O-N 3.16Å; L30-L34 PolarHBondContact O-N 3.17Å
31S96Very high95.7Very high52 Ų5282 Ų8236%0.36440%0.397SS..Hα-helixtrans-66.7-38.6175.9750000111.9S27 F28 K29 L33 L34 L35S27-S31 PolarHBondContact O-N 2.97Å; F28-S31 PolarHBondContact O-N 3.33Å; F28-S31 PolarHBondContact O-OG 2.84Å; K29-S31 VanDerWaalsContact C-N 3.35Å; S31-L33 VanDerWaalsContact C-N 3.34Å; S31-L33 PolarHBondContact O-N 3.25Å; S31-L34 PolarHBondContact O-N 3.36Å; S31-L35 WeakPolarHBondContact O-CG 3.26Å; S31-L35 PolarHBondContact O-N 3.39Å
32Q94.7Very high95.8Very high66 Ų6678.9 Ų78.931%0.30839%0.389SS..Hα-helixtrans-60.6-41.6171.9-71-176.3-30.900112.1F28 K29 L35 V36 F291F28-Q32 HydrophobicContact CE1-CG 4.37Å; F28-Q32 VanDerWaalsContact CE1-NE2 3.27Å; F28-Q32 HydrophobicContact CZ-CG 4.39Å; F28-Q32 VanDerWaalsContact CZ-NE2 3.32Å; F28-Q32 WeakPolarHBondContact O-CG 3.23Å; F28-Q32 PolarHBondContact O-N 3.14Å; F28-Q32 VanDerWaalsContact O-N 3.11Å; K29-Q32 PolarHBondContact O-N 2.69Å; Q32-L35 WeakPolarHBondContact O-CB 3.38Å; Q32-L35 PolarHBondContact O-N 2.57Å; Q32-V36 PolarHBondContact O-N 3.33Å; Q32-V36 VanDerWaalsContact O-N 3.16Å; Q32-F291 HydrophobicContact CB-CE2 3.89Å
33L94.5Very high95.9Very high57 Ų5775.6 Ų75.630%0.29838%0.375SS..Hα-helixtrans-66.7-40.1176.2-173.464.1000112.2K29 L30 S31 L35 V36 Y37 L288 F291K29-L33 PolarHBondContact O-N 3.3Å; L30-L33 PolarHBondContact O-N 3.16Å; S31-L33 VanDerWaalsContact C-N 3.34Å; S31-L33 PolarHBondContact O-N 3.25Å; L33-L35 VanDerWaalsContact C-N 3.31Å; L33-L35 PolarHBondContact O-N 3.43Å; L33-V36 WeakPolarHBondContact O-CB 3.48Å; L33-V36 PolarHBondContact O-N 3.22Å; L33-Y37 PolarHBondContact O-N 3.45Å; L33-Y37 VanDerWaalsContact O-N 3.13Å; L33-L288 HydrophobicContact CD1-CD2 3.59Å; L33-F291 HydrophobicContact CB-CE1 4.47Å; L33-F291 HydrophobicContact CB-CE2 4.43Å; L33-F291 HydrophobicContact CB-CZ 4.22Å; L33-F291 HydrophobicContact CD1-CD1 4.16Å; L33-F291 HydrophobicContact CD1-CE1 4.46Å; L33-F291 HydrophobicContact CD1-CG 4.26Å
34L96.1Very high96Very high97 Ų9772.7 Ų72.751%0.50836%0.362SS..Hα-helixtrans-60.5-41.8173.3178.261.8000111.1L30 S31 V36 Y37 L38L30-L34 PolarHBondContact O-N 3.17Å; S31-L34 PolarHBondContact O-N 3.36Å; L34-V36 VanDerWaalsContact C-N 3.28Å; L34-V36 PolarHBondContact O-N 3.13Å; L34-Y37 WeakPolarHBondContact O-CB 3.43Å; L34-Y37 PolarHBondContact O-N 3.39Å; L34-Y37 VanDerWaalsContact O-N 3.14Å; L34-L38 HydrophobicContact CD1-CD1 4.39Å; L34-L38 HydrophobicContact CD1-CG 4.2Å; L34-L38 HydrophobicContact CG-CD1 4.01Å; L34-L38 HydrophobicContact CG-CG 4.27Å; L34-L38 WeakPolarHBondContact O-CG 3.36Å; L34-L38 PolarHBondContact O-N 2.83Å
35L95.4Very high96Very high101 Ų10178.1 Ų78.153%0.52938%0.376SS..Hα-helixtrans-61.3-36.2175.5-71173.5000112.3S31 Q32 L33 L38 K39S31-L35 WeakPolarHBondContact O-CG 3.26Å; S31-L35 PolarHBondContact O-N 3.39Å; Q32-L35 WeakPolarHBondContact O-CB 3.38Å; Q32-L35 PolarHBondContact O-N 2.57Å; L33-L35 VanDerWaalsContact C-N 3.31Å; L33-L35 PolarHBondContact O-N 3.43Å; L35-L38 PolarHBondContact O-N 2.8Å; L35-K39 VanDerWaalsContact O-CG 3.26Å; L35-K39 WeakPolarHBondContact O-CG 3.48Å; L35-K39 PolarHBondContact O-N 3.19Å
36V94.9Very high96.1Very high15 Ų1574.8 Ų74.89%0.09137%0.373CS..Hα-helixtrans-60.2-49.4172.2168.40000110.6Q32 L33 L34 L38 K39 Y40 F284 E287Q32-V36 PolarHBondContact O-N 3.33Å; Q32-V36 VanDerWaalsContact O-N 3.16Å; L33-V36 WeakPolarHBondContact O-CB 3.48Å; L33-V36 PolarHBondContact O-N 3.22Å; L34-V36 VanDerWaalsContact C-N 3.28Å; L34-V36 PolarHBondContact O-N 3.13Å; V36-L38 PolarHBondContact O-N 3.19Å; V36-K39 PolarHBondContact O-N 3Å; V36-Y40 PolarHBondContact O-N 2.74Å; V36-F284 HydrophobicContact CG1-CD2 4.23Å; V36-F284 HydrophobicContact CG1-CE2 4.1Å; V36-E287 HydrophobicContact CG1-CB 3.43Å; V36-E287 VanDerWaalsContact CG1-CB 3.43Å; V36-E287 HydrophobicContact CG1-CG 3.92Å
37Y96.2Very high96.2Very high129 Ų12976.9 Ų76.951%0.50638%0.379SS..Hα-helixtrans-60.6-45177.5176.3-98000112.3L33 L34 K39 Y40 T41 F284L33-Y37 PolarHBondContact O-N 3.45Å; L33-Y37 VanDerWaalsContact O-N 3.13Å; L34-Y37 WeakPolarHBondContact O-CB 3.43Å; L34-Y37 PolarHBondContact O-N 3.39Å; L34-Y37 VanDerWaalsContact O-N 3.14Å; Y37-K39 VanDerWaalsContact C-N 3.31Å; Y37-K39 PolarHBondContact O-N 3.48Å; Y37-Y40 PolarHBondContact O-N 3.23Å; Y37-T41 HydrophobicContact CD2-CG2 4.4Å; Y37-T41 HydrophobicContact CE1-CG2 4.06Å; Y37-T41 HydrophobicContact CE2-CG2 3.93Å; Y37-T41 PolarHBondContact O-N 2.95Å; Y37-T41 PolarHBondContact O-OG1 3.25Å; Y37-F284 HydrophobicContact CD2-CE2 4.38Å; Y37-F284 HydrophobicContact CD2-CZ 4.28Å
38L97.3Very high96.3Very high66 Ų6676.4 Ų76.435%0.34638%0.376SS..Hα-helixtrans-62.6-35.6178.4-70.3176000112.3L34 L35 V36 T41 V42 G43L34-L38 HydrophobicContact CD1-CD1 4.39Å; L34-L38 HydrophobicContact CD1-CG 4.2Å; L34-L38 HydrophobicContact CG-CD1 4.01Å; L34-L38 HydrophobicContact CG-CG 4.27Å; L34-L38 WeakPolarHBondContact O-CG 3.36Å; L34-L38 PolarHBondContact O-N 2.83Å; L35-L38 PolarHBondContact O-N 2.8Å; V36-L38 PolarHBondContact O-N 3.19Å; L38-T41 WeakPolarHBondContact CA-OG1 3.37Å; L38-T41 PolarHBondContact O-N 2.77Å; L38-T41 PolarHBondContact O-OG1 3.32Å; L38-V42 HydrophobicContact CD2-CG2 4.08Å; L38-V42 PolarHBondContact O-N 3.09Å; L38-G43 PolarHBondContact O-N 2.84Å
39K96.6Very high96.3Very high89 Ų8973.9 Ų73.939%0.38737%0.365SS..Iπ-helixtrans-60.2-47.1174.3-76.6172.1-175.3-175.70112L35 V36 Y37 T41 G43 K44 M273L35-K39 VanDerWaalsContact O-CG 3.26Å; L35-K39 WeakPolarHBondContact O-CG 3.48Å; L35-K39 PolarHBondContact O-N 3.19Å; V36-K39 PolarHBondContact O-N 3Å; Y37-K39 VanDerWaalsContact C-N 3.31Å; Y37-K39 PolarHBondContact O-N 3.48Å; K39-T41 PolarHBondContact O-N 2.92Å; K39-G43 CarbonylContact O-C 3.58Å; K39-G43 WeakPolarHBondContact O-CA 3.23Å; K39-K44 PolarHBondContact O-N 3Å; K39-M273 HydrophobicContact CB-CE 4.48Å
40Y97.3Very high96.5Very high16 Ų1671.9 Ų71.96%0.06336%0.356CS..Iπ-helixtrans-76.9-9.1-177.9-82.8-91.3000114.6V36 Y37 K44 M273 I280 G282 Y283 F284 E287V36-Y40 PolarHBondContact O-N 2.74Å; Y37-Y40 PolarHBondContact O-N 3.23Å; Y40-K44 WeakPolarHBondContact O-CE 3.25Å; Y40-K44 PolarHBondContact O-NZ 3.09Å; Y40-M273 HydrophobicContact CD1-CG 4.42Å; Y40-M273 HydrophobicContact CD1-SD 3.97Å; Y40-M273 HydrophobicContact CE1-CG 3.99Å; Y40-M273 HydrophobicContact CE1-SD 4.13Å; Y40-M273 HydrophobicContact CG-SD 4.44Å; Y40-I280 HydrophobicContact CD2-CD1 4.39Å; Y40-I280 HydrophobicContact CE1-CD1 4.44Å; Y40-I280 HydrophobicContact CE2-CD1 3.46Å; Y40-I280 VanDerWaalsContact CE2-CD1 3.46Å; Y40-I280 HydrophobicContact CE2-CG1 4.12Å; Y40-I280 WeakPolarHBondContact OH-CD1 3.24Å; Y40-I280 WeakPolarHBondContact OH-CG1 3.25Å; Y40-G282 PolarHBondContact OH-N 2.68Å; Y40-Y283 PolarHBondContact OH-N 3.49Å; Y40-F284 HydrophobicContact CD1-CB 3.75Å; Y40-F284 HydrophobicContact CD2-CB 4.22Å; Y40-F284 AromaticContact CD2-CD2 3.94Å; Y40-F284 HydrophobicContact CD2-CD2 3.94Å; Y40-F284 HydrophobicContact CE1-CB 3.98Å; Y40-F284 HydrophobicContact CE2-CB 4.46Å; Y40-F284 HydrophobicContact CG-CB 3.86Å; Y40-F284 HydrophobicContact CG-CD2 4.02Å; Y40-F284 HydrophobicContact CG-CG 4.38Å; Y40-E287 HydrophobicContact CD2-CG 4.43Å; Y40-E287 HydrophobicContact CE2-CG 3.46Å; Y40-E287 VanDerWaalsContact CE2-CG 3.46Å
41T96.9Very high96.5Very high46 Ų4673.1 Ų73.128%0.28236%0.357SS..Iπ-helixtrans-112.2-86.317952.80000110.7Y37 L38 K39 W45Y37-T41 HydrophobicContact CD2-CG2 4.4Å; Y37-T41 HydrophobicContact CE1-CG2 4.06Å; Y37-T41 HydrophobicContact CE2-CG2 3.93Å; Y37-T41 PolarHBondContact O-N 2.95Å; Y37-T41 PolarHBondContact O-OG1 3.25Å; L38-T41 WeakPolarHBondContact CA-OG1 3.37Å; L38-T41 PolarHBondContact O-N 2.77Å; L38-T41 PolarHBondContact O-OG1 3.32Å; K39-T41 PolarHBondContact O-N 2.92Å; T41-W45 WeakPolarHBondContact O-CB 3.19Å; T41-W45 PolarHBondContact O-N 3.13Å
42V97.2Very high96.5Very high76 Ų7672.5 Ų72.546%0.46135%0.351SS..Iπ-helixtrans-64-45.3-177.3-177.40000111.3L38 K44 W45 C46L38-V42 HydrophobicContact CD2-CG2 4.08Å; L38-V42 PolarHBondContact O-N 3.09Å; V42-K44 PolarHBondContact O-N 3.44Å; V42-W45 PolarHBondContact O-N 2.95Å; V42-C46 WeakPolarHBondContact O-CB 3.47Å; V42-C46 PolarHBondContact O-N 3.46Å; V42-C46 PolarHBondContact O-SG 3Å; V42-C46 VanDerWaalsContact O-SG 3.36Å
43G96.7Very high96.6Very high11 Ų1169.4 Ų69.411%0.11334%0.336CS..Iπ-helixtrans-60.7-48.6-179.900000112L38 K39 W45 C46 F47L38-G43 PolarHBondContact O-N 2.84Å; K39-G43 CarbonylContact O-C 3.58Å; K39-G43 WeakPolarHBondContact O-CA 3.23Å; G43-W45 PolarHBondContact O-N 3.49Å; G43-C46 PolarHBondContact O-N 3.48Å; G43-F47 VanDerWaalsContact O-CB 3.32Å; G43-F47 WeakPolarHBondContact O-CB 3.47Å; G43-F47 WeakPolarHBondContact O-CD2 3.4Å; G43-F47 PolarHBondContact O-N 3.29Å
44K97.4Very high96.7Very high77 Ų7771.1 Ų71.134%0.33534%0.342SS..Hα-helixtrans-56.6-48.7173.1-177.7-177.766.4-176.70111.9K39 Y40 V42 S48 D272 M273K39-K44 PolarHBondContact O-N 3Å; Y40-K44 WeakPolarHBondContact O-CE 3.25Å; Y40-K44 PolarHBondContact O-NZ 3.09Å; V42-K44 PolarHBondContact O-N 3.44Å; K44-S48 WeakPolarHBondContact O-CB 3.42Å; K44-S48 PolarHBondContact O-N 3.06Å; K44-S48 VanDerWaalsContact O-N 3.08Å; K44-D272 HydrophobicContact CD-CB 4.03Å; K44-M273 HydrophobicContact CB-SD 3.91Å; K44-M273 HydrophobicContact CD-SD 4.22Å; K44-M273 HydrophobicContact CG-SD 4.09Å
45W97.3Very high96.7Very high218 Ų21872.7 Ų72.783%0.82635%0.345SS*.Hα-helixtrans-63.6-42.3-178.117867.5000112.6T41 V42 G43T41-W45 WeakPolarHBondContact O-CB 3.19Å; T41-W45 PolarHBondContact O-N 3.13Å; V42-W45 PolarHBondContact O-N 2.95Å; G43-W45 PolarHBondContact O-N 3.49Å
46C97Very high96.8Very high62 Ų6267.9 Ų67.942%0.41932%0.32SS..Hα-helixtrans-79.4-37.1-178.4-67.10000113.9V42 G43V42-C46 WeakPolarHBondContact O-CB 3.47Å; V42-C46 PolarHBondContact O-N 3.46Å; V42-C46 PolarHBondContact O-SG 3Å; V42-C46 VanDerWaalsContact O-SG 3.36Å; G43-C46 PolarHBondContact O-N 3.48Å
47F96.8Very high96.8Very high120 Ų12067.4 Ų67.453%0.52632%0.318SS..Hα-helixtrans-118.2-10.1-162.6-55.6-62.6000115G43 K49 V276G43-F47 VanDerWaalsContact O-CB 3.32Å; G43-F47 WeakPolarHBondContact O-CB 3.47Å; G43-F47 WeakPolarHBondContact O-CD2 3.4Å; G43-F47 PolarHBondContact O-N 3.29Å; F47-K49 PolarHBondContact O-N 3.49Å; F47-V276 HydrophobicContact CB-CG2 4.44Å
48S98Very high96.9Very high37 Ų3766.2 Ų66.226%0.25932%0.317SS..  trans-60.1126.2179.7-176.30000111.3K44 R50 D272K44-S48 WeakPolarHBondContact O-CB 3.42Å; K44-S48 PolarHBondContact O-N 3.06Å; K44-S48 VanDerWaalsContact O-N 3.08Å; S48-R50 PolarHBondContact OG-N 3.16Å; S48-D272 VanDerWaalsContact CB-O 3.27Å; S48-D272 WeakPolarHBondContact CB-O 3.23Å; S48-D272 PolarHBondContact OG-O 3.08Å
49K97Very high97Very high58 Ų5863.3 Ų63.325%0.25230%0.302SS..  trans-100.67.8176.2-58.8-55-177.1-176.90112.2F47 K51 T52 L53 Y192 I237 Y274F47-K49 PolarHBondContact O-N 3.49Å; K49-K51 VanDerWaalsContact C-N 3.25Å; K49-K51 PolarHBondContact O-N 3Å; K49-T52 PolarHBondContact O-N 2.9Å; K49-T52 PolarHBondContact O-OG1 3.39Å; K49-L53 PolarHBondContact O-N 3.34Å; K49-Y192 HydrophobicContact CD-CD2 4.43Å; K49-I237 HydrophobicContact CB-CD1 4.08Å; K49-I237 HydrophobicContact CG-CD1 4.06Å; K49-Y274 HydrophobicContact CB-CD1 3.81Å; K49-Y274 HydrophobicContact CB-CE1 4.02Å; K49-Y274 PolarHBondContact N-O 2.72Å
50R97.8Very high97.1Very high12 Ų1259.1 Ų59.15%0.04528%0.283CS..G310 helixtrans-50.2-48178.2176.4176.6172151.113.9111.7S48 T52 L53 E76 E80 K268 L271 D272S48-R50 PolarHBondContact OG-N 3.16Å; R50-T52 PolarHBondContact O-N 3.4Å; R50-L53 WeakPolarHBondContact O-CB 3.45Å; R50-L53 WeakPolarHBondContact O-CG 3.46Å; R50-L53 PolarHBondContact O-N 3.35Å; R50-E76 IonicContact CZ-OE2 3.52Å; R50-E76 IonicContact NH1-OE2 2.74Å; R50-E76 PolarHBondContact NH1-OE2 2.99Å; R50-E76 VanDerWaalsContact NH1-OE2 3.09Å; R50-E76 PolarHBondContact NH2-O 3.08Å; R50-E76 IonicContact NH2-OE2 3.64Å; R50-E76 PolarHBondContact NH2-OE2 2.93Å; R50-E80 HydrophobicContact CG-CG 4.3Å; R50-E80 IonicContact CZ-OE1 3.09Å; R50-E80 IonicContact NE-OE1 3.36Å; R50-E80 PolarHBondContact NE-OE1 2.78Å; R50-E80 IonicContact NH2-OE1 3.64Å; R50-E80 PolarHBondContact NH2-OE1 2.88Å; R50-K268 PolarHBondContact NH1-O 2.94Å; R50-L271 HydrophobicContact CG-CD2 4.37Å; R50-L271 HydrophobicContact CG-CG 4.05Å; R50-D272 VanDerWaalsContact CD-OD1 3.23Å; R50-D272 WeakPolarHBondContact CD-OD1 3.35Å; R50-D272 IonicContact CZ-OD1 2.76Å; R50-D272 IonicContact NE-OD1 2.65Å; R50-D272 IonicContact NH1-OD1 3.71Å; R50-D272 PolarHBondContact NH1-OD1 2.88Å
51K96.1Very high97.2Very high131 Ų13158.3 Ų58.357%0.5728%0.28SS*.G310 helixtrans-72.4-6.5-179.3-63.8-50.6-170.2-176.50114.5K49 H54 E80K49-K51 VanDerWaalsContact C-N 3.25Å; K49-K51 PolarHBondContact O-N 3Å; K51-H54 PolarHBondContact O-CE1 3.46Å; K51-H54 PolarHBondContact O-ND1 3.44Å; K51-E80 WeakPolarHBondContact CD-OE2 3.44Å; K51-E80 IonicContact NZ-OE1 2.83Å; K51-E80 PolarHBondContact NZ-OE1 2.83Å; K51-E80 IonicContact NZ-OE2 2.67Å; K51-E80 PolarHBondContact NZ-OE2 3.47Å
52T95.7Very high97.2Very high39 Ų3956.1 Ų56.124%0.23927%0.267CS..G310 helixtrans-98.1-6.5174.569.10000112.7K49 R50 H54 K55 A56K49-T52 PolarHBondContact O-N 2.9Å; K49-T52 PolarHBondContact O-OG1 3.39Å; R50-T52 PolarHBondContact O-N 3.4Å; T52-H54 VanDerWaalsContact C-N 3.3Å; T52-H54 PolarHBondContact O-N 3.24Å; T52-K55 WeakPolarHBondContact O-CA 3.41Å; T52-K55 WeakPolarHBondContact O-CB 3.48Å; T52-K55 PolarHBondContact O-N 2.87Å; T52-A56 PolarHBondContact O-N 3.47Å
53L97.3Very high97.3Very high0 Ų052.5 Ų52.50%025%0.245CC..G310 helixtrans-57.3-39.3-178.1-78.6169.6000113K49 R50 K55 A56 L77 L82 A136 C137 L271 Y274K49-L53 PolarHBondContact O-N 3.34Å; R50-L53 WeakPolarHBondContact O-CB 3.45Å; R50-L53 WeakPolarHBondContact O-CG 3.46Å; R50-L53 PolarHBondContact O-N 3.35Å; L53-K55 PolarHBondContact O-N 2.95Å; L53-A56 WeakPolarHBondContact O-CB 3.29Å; L53-A56 PolarHBondContact O-N 3.31Å; L53-L77 HydrophobicContact CD1-CD2 3.92Å; L53-L82 HydrophobicContact CB-CD1 4.13Å; L53-A136 WeakPolarHBondContact O-CB 3.45Å; L53-C137 HydrophobicContact CD2-CB 4.15Å; L53-L271 HydrophobicContact CD1-CD1 3.96Å; L53-Y274 HydrophobicContact CD1-CD1 4.25Å; L53-Y274 HydrophobicContact CD1-CE1 4.46Å; L53-Y274 HydrophobicContact CD2-CD1 4.04Å; L53-Y274 HydrophobicContact CD2-CE1 3.42Å; L53-Y274 VanDerWaalsContact CD2-CE1 3.42Å; L53-Y274 HydrophobicContact CD2-CE2 4.41Å; L53-Y274 HydrophobicContact CG-CD1 4.07Å; L53-Y274 HydrophobicContact CG-CE1 3.89Å
54H95.8Very high97.4Very high94 Ų9452.5 Ų52.544%0.43525%0.245SC..G310 helixtrans-61.4-14.9175.373-89.9000114.3K51 T52 E80K51-H54 PolarHBondContact O-CE1 3.46Å; K51-H54 PolarHBondContact O-ND1 3.44Å; T52-H54 VanDerWaalsContact C-N 3.3Å; T52-H54 PolarHBondContact O-N 3.24Å; H54-E80 VanDerWaalsContact CB-O 3.3Å; H54-E80 WeakPolarHBondContact CB-O 3.31Å
55K96.2Very high97.4Very high129 Ų12948.9 Ų48.956%0.56123%0.229SC*.G310 helixtrans-100.8-9174.7-53.3-173.3179.6-178.10112.7T52 L53 E190T52-K55 WeakPolarHBondContact O-CA 3.41Å; T52-K55 WeakPolarHBondContact O-CB 3.48Å; T52-K55 PolarHBondContact O-N 2.87Å; L53-K55 PolarHBondContact O-N 2.95Å; K55-E190 VanDerWaalsContact O-CB 3.25Å; K55-E190 WeakPolarHBondContact O-CB 3.48Å; K55-E190 WeakPolarHBondContact O-CG 3.38Å
56A96.5Very high97.4Very high0 Ų039 Ų390%019%0.193CC..THydrogen-bonded Turntrans-85.9-15.8-177.500000112.7T52 L53 A136 Q188 E190 P191 P193T52-A56 PolarHBondContact O-N 3.47Å; L53-A56 WeakPolarHBondContact O-CB 3.29Å; L53-A56 PolarHBondContact O-N 3.31Å; A56-A136 HydrophobicContact CB-CB 3.94Å; A56-Q188 PolarHBondContact O-NE2 2.9Å; A56-E190 VanDerWaalsContact O-CB 3.3Å; A56-E190 WeakPolarHBondContact O-CB 3.43Å; A56-P191 WeakPolarHBondContact CB-O 3.31Å; A56-P193 HydrophobicContact CB-CB 4.32Å
57G96.6Very high97.5Very high6 Ų638 Ų386%0.06219%0.187CC..  trans160.8174.2179.700000111L82 T134G57-L82 VanDerWaalsContact O-CD2 3.25Å; G57-L82 WeakPolarHBondContact O-CD2 3.19Å; G57-T134 VanDerWaalsContact CA-OG1 3.23Å; G57-T134 WeakPolarHBondContact CA-OG1 3.39Å
58E97.7Very high97.5Very high104 Ų10433 Ų3349%0.48617%0.169SC..SBendtrans-88-30.5-177.1-69.2-178-17800113.3N83 S133 T134E58-N83 WeakPolarHBondContact O-CB 3.28Å; E58-N83 PolarHBondContact O-N 2.92Å; E58-S133 WeakPolarHBondContact OE2-CB 3.42Å; E58-S133 PolarHBondContact OE2-OG 3.34Å; E58-T134 PolarHBondContact N-O 3.33Å; E58-T134 PolarHBondContact N-OG1 2.64Å
59W98.7Very high97.6Very high5 Ų532.2 Ų32.22%0.01916%0.162CC..EExtended strand (participates in β ladder)trans-112.3145.7-171.8-68.782.5000113.1N83 M85 Q108 R110 L132 S133 T134 I135 A136W59-N83 CarbonylContact C-O 3.51Å; W59-N83 VanDerWaalsContact CA-O 3.3Å; W59-N83 WeakPolarHBondContact CA-O 3.39Å; W59-N83 HydrophobicContact CD2-CB 3.41Å; W59-N83 VanDerWaalsContact CD2-CB 3.41Å; W59-N83 HydrophobicContact CE3-CB 3.48Å; W59-N83 VanDerWaalsContact CE3-CB 3.48Å; W59-N83 HydrophobicContact CG-CB 4.01Å; W59-N83 HydrophobicContact CH2-CB 3.86Å; W59-N83 HydrophobicContact CZ2-CB 3.81Å; W59-N83 HydrophobicContact CZ3-CB 3.72Å; W59-M85 HydrophobicContact CE3-CB 4.35Å; W59-Q108 HydrophobicContact CH2-CB 3.68Å; W59-Q108 HydrophobicContact CZ2-CB 4Å; W59-R110 HydrophobicContact CH2-CB 4.49Å; W59-R110 HydrophobicContact CH2-CG 3.79Å; W59-R110 HydrophobicContact CZ3-CB 4.25Å; W59-R110 HydrophobicContact CZ3-CG 4.05Å; W59-L132 HydrophobicContact CB-CB 4.44Å; W59-L132 HydrophobicContact CB-CD1 4.08Å; W59-L132 HydrophobicContact CD2-CD1 4.35Å; W59-L132 HydrophobicContact CD2-CD2 3.47Å; W59-L132 VanDerWaalsContact CD2-CD2 3.47Å; W59-L132 HydrophobicContact CD2-CG 4.31Å; W59-L132 HydrophobicContact CE3-CD1 4.44Å; W59-L132 HydrophobicContact CE3-CD2 3.66Å; W59-L132 HydrophobicContact CG-CB 4.07Å; W59-L132 HydrophobicContact CG-CD1 4.19Å; W59-L132 HydrophobicContact CG-CD2 3.93Å; W59-L132 HydrophobicContact CG-CG 4.27Å; W59-L132 HydrophobicContact CH2-CD2 4.25Å; W59-L132 HydrophobicContact CZ2-CD2 4.08Å; W59-L132 HydrophobicContact CZ3-CD2 4.04Å; W59-S133 PolarHBondContact NE1-OG 2.72Å; W59-T134 WeakPolarHBondContact CB-O 3.29Å; W59-T134 PolarHBondContact N-O 2.95Å; W59-I135 HydrophobicContact CB-CG1 4.39Å; W59-I135 CarbonylContact O-C 3.6Å; W59-I135 WeakPolarHBondContact O-CA 3.49Å; W59-A136 PolarHBondContact O-N 2.79Å
60A98.8Very high97.6Very high0 Ų029.5 Ų29.50%015%0.15CC..EExtended strand (participates in β ladder)trans-113.5138.1158.100000110.7L77 L82 N83 I84 M85 C137A60-L77 HydrophobicContact CB-CB 4.18Å; A60-L77 HydrophobicContact CB-CD1 3.8Å; A60-L77 HydrophobicContact CB-CD2 4.34Å; A60-L77 HydrophobicContact CB-CG 4.34Å; A60-L82 HydrophobicContact CB-CB 4.43Å; A60-L82 HydrophobicContact CB-CD1 4.06Å; A60-N83 PolarHBondContact N-O 3.14Å; A60-I84 HydrophobicContact CB-CD1 4.08Å; A60-I84 WeakPolarHBondContact O-CA 3.3Å; A60-M85 PolarHBondContact O-N 3.4Å; A60-C137 CarbonylContact C-O 3.18Å; A60-C137 WeakPolarHBondContact CA-O 3.29Å; A60-C137 HydrophobicContact CB-CB 4.2Å
61V98.9Very high97.7Very high0 Ų031.1 Ų31.10%016%0.158CC..EExtended strand (participates in β ladder)trans-108.2126.1175.9-174.20000108.4M85 I87 L132 I135 C137 L138 V139 M177 I181V61-M85 WeakPolarHBondContact CA-O 3.39Å; V61-M85 HydrophobicContact CB-CB 4.47Å; V61-M85 HydrophobicContact CG1-CB 4.38Å; V61-M85 HydrophobicContact CG1-CG 4.15Å; V61-M85 HydrophobicContact CG2-CB 4.12Å; V61-M85 HydrophobicContact CG2-CG 4.48Å; V61-I87 HydrophobicContact CG1-CD1 3.69Å; V61-I87 HydrophobicContact CG1-CG1 4.33Å; V61-L132 HydrophobicContact CG2-CD1 3.78Å; V61-I135 HydrophobicContact CG2-CD1 4.19Å; V61-I135 HydrophobicContact CG2-CG2 4.19Å; V61-C137 PolarHBondContact N-O 3.24Å; V61-L138 HydrophobicContact CB-CD1 4.02Å; V61-L138 HydrophobicContact CG1-CD1 4.09Å; V61-L138 CarbonylContact O-C 3.59Å; V61-L138 WeakPolarHBondContact O-CA 3.27Å; V61-V139 PolarHBondContact O-N 2.99Å; V61-M177 HydrophobicContact CG1-CE 4.33Å; V61-I181 HydrophobicContact CB-CD1 4.06Å; V61-I181 HydrophobicContact CG1-CD1 3.94Å; V61-I181 HydrophobicContact CG2-CD1 4.07Å
62V98.9Very high97.8Very high0 Ų025 Ų250%013%0.132CC..EExtended strand (participates in β ladder)trans-127123-177.6-173.80000109.9A65 G70 A74 L77 M85 I87 V139V62-A65 HydrophobicContact CB-CB 4.07Å; V62-A65 HydrophobicContact CG1-CB 3.93Å; V62-A65 WeakPolarHBondContact O-CB 2.93Å; V62-G70 WeakPolarHBondContact CG1-O 3.31Å; V62-A74 HydrophobicContact CG2-CB 4.29Å; V62-L77 HydrophobicContact CG2-CD1 3.84Å; V62-M85 PolarHBondContact N-O 3.06Å; V62-I87 PolarHBondContact O-N 2.93Å; V62-V139 HydrophobicContact CB-CB 4.44Å; V62-V139 HydrophobicContact CG1-CB 4.1Å; V62-V139 HydrophobicContact CG1-CG1 4.37Å; V62-V139 HydrophobicContact CG2-CB 4.17Å; V62-V139 HydrophobicContact CG2-CG2 4.2Å
63T98.8Very high98Very high0 Ų023.1 Ų23.10%012%0.121CC..EExtended strand (participates in β ladder)trans-93.9148176.1680000111.6A65 I87 F116 V139 N140 N141 V142 M177T63-A65 VanDerWaalsContact C-N 3.29Å; T63-I87 CarbonylContact C-O 3.52Å; T63-I87 WeakPolarHBondContact CA-O 3.4Å; T63-F116 HydrophobicContact CG2-CE2 4.28Å; T63-F116 HydrophobicContact CG2-CZ 3.84Å; T63-V139 PolarHBondContact N-O 2.88Å; T63-V139 PolarHBondContact OG1-O 2.81Å; T63-N140 WeakPolarHBondContact OG1-CA 3.18Å; T63-N141 VanDerWaalsContact O-CB 3.29Å; T63-N141 WeakPolarHBondContact O-CB 3.49Å; T63-N141 PolarHBondContact O-ND2 3.43Å; T63-N141 PolarHBondContact OG1-N 3.1Å; T63-V142 PolarHBondContact O-N 2.87Å; T63-V142 WeakPolarHBondContact OG1-CG1 3.2Å; T63-V142 PolarHBondContact OG1-N 2.9Å; T63-M177 HydrophobicContact CG2-CE 4.17Å; T63-M177 HydrophobicContact CG2-CG 4.19Å
64G98.2Very high98Very high11 Ų1123.1 Ų23.111%0.11312%0.121CC..SBendtrans63.139.3-172.800000111.5G70 I87 N141G64-G70 WeakPolarHBondContact O-CA 3.45Å; G64-I87 PolarHBondContact N-O 3.43Å; G64-N141 PolarHBondContact O-ND2 3.34Å
65A98.2Very high98.2Very high0 Ų018.9 Ų18.90%010%0.101CC..THydrogen-bonded Turntrans-89-1.7-168.500000114.7V62 T63 S67 E71 L86 I87 L94V62-A65 HydrophobicContact CB-CB 4.07Å; V62-A65 HydrophobicContact CG1-CB 3.93Å; V62-A65 WeakPolarHBondContact O-CB 2.93Å; T63-A65 VanDerWaalsContact C-N 3.29Å; A65-S67 VanDerWaalsContact C-N 3.3Å; A65-S67 PolarHBondContact O-N 3.35Å; A65-E71 WeakPolarHBondContact O-CA 2.84Å; A65-E71 WeakPolarHBondContact O-CB 3.49Å; A65-L86 HydrophobicContact CB-CB 3.84Å; A65-L86 HydrophobicContact CB-CD2 3.89Å; A65-L86 HydrophobicContact CB-CG 4.06Å; A65-I87 PolarHBondContact N-O 3.33Å; A65-L94 HydrophobicContact CB-CD1 4.4Å
66S97.3Very high98.3Very high11 Ų1113.1 Ų13.18%0.0778%0.076CC..THydrogen-bonded Turntrans-74.1-17.4178.657.40000113.7S88S66-S88 WeakPolarHBondContact CB-OG 3.28Å; S66-S88 WeakPolarHBondContact OG-CB 3.4Å; S66-S88 PolarHBondContact OG-OG 3.34Å
67S97.6Very high98.4Very high41 Ų4113.1 Ų13.129%0.2878%0.076SC..SBendtrans-158.5172.3177.666.60000113.3A65 G70 E71A65-S67 VanDerWaalsContact C-N 3.3Å; A65-S67 PolarHBondContact O-N 3.35Å; S67-G70 PolarHBondContact O-N 2.83Å; S67-E71 WeakPolarHBondContact CA-OE2 3.27Å; S67-E71 PolarHBondContact O-N 3.44Å
68G98Very high98.5Very high14 Ų1413 Ų1314%0.1447%0.074CC..Hα-helixtrans62.9-136.8164.600000113.4G70 A72 A263G68-G70 VanDerWaalsContact C-N 3.33Å; G68-G70 PolarHBondContact O-N 3.19Å; G68-A72 WeakPolarHBondContact O-CB 3.45Å; G68-A72 PolarHBondContact O-N 2.97Å; G68-A263 VanDerWaalsContact O-CB 3.29Å; G68-A263 WeakPolarHBondContact O-CB 3.27Å
69I98.6Very high98.5Very high22 Ų2212.4 Ų12.411%0.1137%0.07CC..Hα-helixtrans-63.5-39.1-175.7-67.7169.9000111.2A72 Y73 N141 L198 V246 T248 A263 Y266I69-A72 PolarHBondContact O-N 3.37Å; I69-Y73 HydrophobicContact CG2-CD2 3.55Å; I69-Y73 HydrophobicContact CG2-CE2 3.62Å; I69-Y73 WeakPolarHBondContact O-CD2 3.3Å; I69-Y73 PolarHBondContact O-N 2.89Å; I69-N141 WeakPolarHBondContact CB-OD1 3.42Å; I69-N141 VanDerWaalsContact CG2-OD1 3.3Å; I69-N141 WeakPolarHBondContact CG2-OD1 3.32Å; I69-L198 HydrophobicContact CG2-CD1 4.11Å; I69-V246 HydrophobicContact CD1-CB 4.01Å; I69-V246 HydrophobicContact CD1-CG1 4.1Å; I69-V246 HydrophobicContact CD1-CG2 4.02Å; I69-V246 HydrophobicContact CG1-CB 4.42Å; I69-V246 HydrophobicContact CG1-CG1 3.96Å; I69-T248 HydrophobicContact CG1-CG2 4.05Å; I69-A263 HydrophobicContact CG1-CB 4.5Å; I69-Y266 HydrophobicContact CD1-CD1 3.9Å; I69-Y266 HydrophobicContact CD1-CE1 3.91Å; I69-Y266 HydrophobicContact CG1-CD1 3.87Å; I69-Y266 HydrophobicContact CG1-CE1 4.28Å; I69-Y266 HydrophobicContact CG2-CD1 3.96Å; I69-Y266 HydrophobicContact CG2-CE1 3.9Å
70G98.7Very high98.5Very high0 Ų012.8 Ų12.80%07%0.072CC..Hα-helixtrans-65.4-48.9-179.700000112.3V62 G64 S67 G68 A72 Y73 A74 N141V62-G70 WeakPolarHBondContact CG1-O 3.31Å; G64-G70 WeakPolarHBondContact O-CA 3.45Å; S67-G70 PolarHBondContact O-N 2.83Å; G68-G70 VanDerWaalsContact C-N 3.33Å; G68-G70 PolarHBondContact O-N 3.19Å; G70-A72 VanDerWaalsContact C-N 3.28Å; G70-A72 PolarHBondContact O-N 3.34Å; G70-Y73 PolarHBondContact O-N 3.11Å; G70-A74 PolarHBondContact O-N 3.48Å; G70-N141 WeakPolarHBondContact CA-ND2 3.47Å; G70-N141 PolarHBondContact N-ND2 3.06Å; G70-N141 PolarHBondContact N-OD1 3.47Å
71E98.7Very high98.4Very high46 Ų4617.4 Ų17.422%0.21510%0.104CC..Hα-helixtrans-55.2-45.9172.8179.1-172179.500111.2A65 S67 Y73 A74 E75 V97 R100A65-E71 WeakPolarHBondContact O-CA 2.84Å; A65-E71 WeakPolarHBondContact O-CB 3.49Å; S67-E71 WeakPolarHBondContact CA-OE2 3.27Å; S67-E71 PolarHBondContact O-N 3.44Å; E71-Y73 PolarHBondContact O-N 3.11Å; E71-A74 WeakPolarHBondContact O-CB 3.36Å; E71-A74 PolarHBondContact O-N 3.17Å; E71-E75 PolarHBondContact O-N 2.86Å; E71-V97 HydrophobicContact CG-CG1 3.89Å; E71-V97 HydrophobicContact CG-CG2 4.01Å; E71-R100 IonicContact OE1-CZ 2.8Å; E71-R100 IonicContact OE1-NH2 3.19Å; E71-R100 PolarHBondContact OE1-NH2 2.78Å
72A98.8Very high98.4Very high3 Ų317.4 Ų17.43%0.02511%0.105CC..Hα-helixtrans-65.7-35.9179.500000112.9G68 I69 G70 E76 A263 K264 A267G68-A72 WeakPolarHBondContact O-CB 3.45Å; G68-A72 PolarHBondContact O-N 2.97Å; I69-A72 PolarHBondContact O-N 3.37Å; G70-A72 VanDerWaalsContact C-N 3.28Å; G70-A72 PolarHBondContact O-N 3.34Å; A72-E76 VanDerWaalsContact O-CG 3.29Å; A72-E76 WeakPolarHBondContact O-CG 3.42Å; A72-E76 PolarHBondContact O-N 3.04Å; A72-A263 HydrophobicContact CB-CB 3.98Å; A72-A263 WeakPolarHBondContact CB-O 3.47Å; A72-K264 HydrophobicContact CB-CG 4.32Å; A72-A267 HydrophobicContact CB-CB 3.53Å
73Y98.9Very high98.4Very high0 Ų018.6 Ų18.60%011%0.111CC..Hα-helixtrans-65.2-44171.6-96.8-73000111.9I69 G70 E71 E75 E76 L77 V139 I196 L198 A267 S270 L271I69-Y73 HydrophobicContact CG2-CD2 3.55Å; I69-Y73 HydrophobicContact CG2-CE2 3.62Å; I69-Y73 WeakPolarHBondContact O-CD2 3.3Å; I69-Y73 PolarHBondContact O-N 2.89Å; G70-Y73 PolarHBondContact O-N 3.11Å; E71-Y73 PolarHBondContact O-N 3.11Å; Y73-E75 VanDerWaalsContact C-N 3.28Å; Y73-E75 PolarHBondContact O-N 3.37Å; Y73-E76 PolarHBondContact O-N 3.32Å; Y73-E76 VanDerWaalsContact O-N 3.16Å; Y73-L77 WeakPolarHBondContact O-CB 3.33Å; Y73-L77 WeakPolarHBondContact O-CD1 3.5Å; Y73-L77 VanDerWaalsContact O-CG 3.28Å; Y73-L77 WeakPolarHBondContact O-CG 3.48Å; Y73-L77 PolarHBondContact O-N 3.03Å; Y73-V139 HydrophobicContact CD1-CG1 4.35Å; Y73-V139 HydrophobicContact CD1-CG2 4.22Å; Y73-V139 HydrophobicContact CD2-CG1 3.99Å; Y73-V139 HydrophobicContact CE2-CG1 4.34Å; Y73-V139 HydrophobicContact CG-CG1 3.97Å; Y73-V139 HydrophobicContact CG-CG2 4.45Å; Y73-I196 HydrophobicContact CE1-CD1 4.03Å; Y73-L198 HydrophobicContact CE2-CD1 4.31Å; Y73-L198 HydrophobicContact CE2-CD2 4.28Å; Y73-A267 HydrophobicContact CD2-CB 4.14Å; Y73-A267 HydrophobicContact CE2-CB 4.46Å; Y73-A267 HydrophobicContact CG-CB 4.24Å; Y73-S270 VanDerWaalsContact OH-CB 3.26Å; Y73-S270 WeakPolarHBondContact OH-CB 3.32Å; Y73-S270 PolarHBondContact OH-OG 3.12Å; Y73-L271 HydrophobicContact CD1-CD1 4.47Å; Y73-L271 HydrophobicContact CE1-CB 4.09Å; Y73-L271 HydrophobicContact CE1-CD1 4.18Å
74A98.9Very high98.4Very high0 Ų018.6 Ų18.60%011%0.111CC..Hα-helixtrans-56.9-44.2176.800000111V62 G70 E71 A78 I84 L86 I101V62-A74 HydrophobicContact CG2-CB 4.29Å; G70-A74 PolarHBondContact O-N 3.48Å; E71-A74 WeakPolarHBondContact O-CB 3.36Å; E71-A74 PolarHBondContact O-N 3.17Å; A74-A78 WeakPolarHBondContact O-CB 3.07Å; A74-A78 PolarHBondContact O-N 2.75Å; A74-I84 HydrophobicContact CB-CG2 3.99Å; A74-L86 HydrophobicContact CB-CD2 4.27Å; A74-I101 HydrophobicContact CB-CD1 3.66Å
75E98.7Very high98.4Very high5 Ų518.2 Ų18.22%0.02311%0.106CC..Hα-helixtrans-61.8-47.4172.7-71.6-175.4-171.800113.1E71 Y73 L77 A78 K79 R100 I101 Y105 K264E71-E75 PolarHBondContact O-N 2.86Å; Y73-E75 VanDerWaalsContact C-N 3.28Å; Y73-E75 PolarHBondContact O-N 3.37Å; E75-L77 VanDerWaalsContact C-N 3.3Å; E75-L77 PolarHBondContact O-N 3.03Å; E75-A78 PolarHBondContact O-N 2.84Å; E75-K79 WeakPolarHBondContact O-CG 3.42Å; E75-K79 PolarHBondContact O-N 2.85Å; E75-K79 VanDerWaalsContact O-N 3.09Å; E75-R100 IonicContact OE1-CZ 2.83Å; E75-R100 IonicContact OE1-NH1 2.77Å; E75-R100 PolarHBondContact OE1-NH1 2.99Å; E75-R100 IonicContact OE1-NH2 3.41Å; E75-R100 PolarHBondContact OE1-NH2 3.33Å; E75-I101 HydrophobicContact CG-CD1 4.43Å; E75-I101 HydrophobicContact CG-CG1 4.32Å; E75-Y105 HydrophobicContact CB-CE2 4.27Å; E75-Y105 HydrophobicContact CG-CE2 4.3Å; E75-K264 IonicContact OE1-NZ 2.7Å; E75-K264 PolarHBondContact OE1-NZ 2.69Å; E75-K264 VanDerWaalsContact OE2-CE 3.31Å; E75-K264 WeakPolarHBondContact OE2-CE 3.27Å; E75-K264 IonicContact OE2-NZ 3.99Å; E75-K264 PolarHBondContact OE2-NZ 3.06Å
76E98.8Very high98.5Very high8 Ų818.2 Ų18.24%0.03711%0.106CC..Hα-helixtrans-67.6-30-177.4-71.2-68.8126.800112.9R50 A72 Y73 K79 A267 K268 L271R50-E76 IonicContact CZ-OE2 3.52Å; R50-E76 IonicContact NH1-OE2 2.74Å; R50-E76 PolarHBondContact NH1-OE2 2.99Å; R50-E76 VanDerWaalsContact NH1-OE2 3.09Å; R50-E76 PolarHBondContact NH2-O 3.08Å; R50-E76 IonicContact NH2-OE2 3.64Å; R50-E76 PolarHBondContact NH2-OE2 2.93Å; A72-E76 VanDerWaalsContact O-CG 3.29Å; A72-E76 WeakPolarHBondContact O-CG 3.42Å; A72-E76 PolarHBondContact O-N 3.04Å; Y73-E76 PolarHBondContact O-N 3.32Å; Y73-E76 VanDerWaalsContact O-N 3.16Å; E76-K79 IonicContact OE1-NZ 3.64Å; E76-K79 PolarHBondContact OE1-NZ 2.82Å; E76-A267 HydrophobicContact CG-CB 4.26Å; E76-K268 HydrophobicContact CG-CB 4.27Å; E76-K268 WeakPolarHBondContact OE2-CA 3.4Å; E76-K268 WeakPolarHBondContact OE2-CB 3.44Å; E76-K268 WeakPolarHBondContact OE2-CG 3.48Å; E76-L271 HydrophobicContact CB-CD2 3.74Å
77L98.9Very high98.5Very high0 Ų017.7 Ų17.70%010%0.103CC..Hα-helixtrans-75.7-38.9174.4-72.2161.4000111.6L53 A60 V62 Y73 E75 K79 E80 L82 I84 C137 V139 L271L53-L77 HydrophobicContact CD1-CD2 3.92Å; A60-L77 HydrophobicContact CB-CB 4.18Å; A60-L77 HydrophobicContact CB-CD1 3.8Å; A60-L77 HydrophobicContact CB-CD2 4.34Å; A60-L77 HydrophobicContact CB-CG 4.34Å; V62-L77 HydrophobicContact CG2-CD1 3.84Å; Y73-L77 WeakPolarHBondContact O-CB 3.33Å; Y73-L77 WeakPolarHBondContact O-CD1 3.5Å; Y73-L77 VanDerWaalsContact O-CG 3.28Å; Y73-L77 WeakPolarHBondContact O-CG 3.48Å; Y73-L77 PolarHBondContact O-N 3.03Å; E75-L77 VanDerWaalsContact C-N 3.3Å; E75-L77 PolarHBondContact O-N 3.03Å; L77-K79 VanDerWaalsContact C-N 3.26Å; L77-K79 PolarHBondContact O-N 3.45Å; L77-E80 CarbonylContact O-C 3.29Å; L77-E80 WeakPolarHBondContact O-CA 3.29Å; L77-E80 PolarHBondContact O-N 2.88Å; L77-L82 HydrophobicContact CB-CD1 4.22Å; L77-L82 HydrophobicContact CD2-CD1 3.76Å; L77-L82 PolarHBondContact O-N 3.05Å; L77-I84 HydrophobicContact CB-CD1 3.8Å; L77-C137 HydrophobicContact CD2-CB 4.21Å; L77-V139 HydrophobicContact CD1-CG2 3.75Å; L77-L271 HydrophobicContact CD2-CD1 4.09Å; L77-L271 HydrophobicContact CD2-CD2 4.1Å; L77-L271 HydrophobicContact CG-CD2 4.24Å
78A98.7Very high98.6Very high2 Ų216 Ų162%0.0179%0.091CC..Hα-helixtrans-61.9-35173.600000112A74 E75 E80 S81 I84 I101 Y105 V107A74-A78 WeakPolarHBondContact O-CB 3.07Å; A74-A78 PolarHBondContact O-N 2.75Å; E75-A78 PolarHBondContact O-N 2.84Å; A78-E80 PolarHBondContact O-N 3.04Å; A78-S81 WeakPolarHBondContact O-CA 3.14Å; A78-S81 PolarHBondContact O-N 3.17Å; A78-I84 HydrophobicContact CB-CD1 4.19Å; A78-I84 HydrophobicContact CB-CG1 3.94Å; A78-I101 HydrophobicContact CB-CG2 3.75Å; A78-Y105 HydrophobicContact CB-CD2 3.54Å; A78-Y105 HydrophobicContact CB-CE2 4.2Å; A78-Y105 HydrophobicContact CB-CG 3.75Å; A78-V107 HydrophobicContact CB-CG2 4.04Å
79K98.3Very high98.5Very high93 Ų9320.1 Ų20.140%0.40411%0.109SC..THydrogen-bonded Turntrans-61.5-23.8171.8-72.2174.4-166.8173.80113.9E75 E76 L77 Y105E75-K79 WeakPolarHBondContact O-CG 3.42Å; E75-K79 PolarHBondContact O-N 2.85Å; E75-K79 VanDerWaalsContact O-N 3.09Å; E76-K79 IonicContact OE1-NZ 3.64Å; E76-K79 PolarHBondContact OE1-NZ 2.82Å; L77-K79 VanDerWaalsContact C-N 3.26Å; L77-K79 PolarHBondContact O-N 3.45Å; K79-Y105 HydrophobicContact CB-CE1 4.49Å; K79-Y105 HydrophobicContact CD-CE1 4.2Å; K79-Y105 WeakPolarHBondContact CE-OH 3.21Å; K79-Y105 HydrophobicContact CG-CD1 3.89Å; K79-Y105 HydrophobicContact CG-CE1 3.3Å
80E97.7Very high98.4Very high12 Ų1222.3 Ų22.36%0.05612%0.121CC..THydrogen-bonded Turntrans-90.620.3172.7-54.2-58.2153.200111.6R50 K51 H54 L77 A78 L82R50-E80 HydrophobicContact CG-CG 4.3Å; R50-E80 IonicContact CZ-OE1 3.09Å; R50-E80 IonicContact NE-OE1 3.36Å; R50-E80 PolarHBondContact NE-OE1 2.78Å; R50-E80 IonicContact NH2-OE1 3.64Å; R50-E80 PolarHBondContact NH2-OE1 2.88Å; K51-E80 WeakPolarHBondContact CD-OE2 3.44Å; K51-E80 IonicContact NZ-OE1 2.83Å; K51-E80 PolarHBondContact NZ-OE1 2.83Å; K51-E80 IonicContact NZ-OE2 2.67Å; K51-E80 PolarHBondContact NZ-OE2 3.47Å; H54-E80 VanDerWaalsContact CB-O 3.3Å; H54-E80 WeakPolarHBondContact CB-O 3.31Å; L77-E80 CarbonylContact O-C 3.29Å; L77-E80 WeakPolarHBondContact O-CA 3.29Å; L77-E80 PolarHBondContact O-N 2.88Å; A78-E80 PolarHBondContact O-N 3.04Å; E80-L82 VanDerWaalsContact C-N 3.27Å; E80-L82 PolarHBondContact O-N 3.03Å
81S97.7Very high98.3Very high97 Ų9728.2 Ų28.268%0.67815%0.149SC*.THydrogen-bonded Turntrans62.328.9176.4-53.70000114.6A78A78-S81 WeakPolarHBondContact O-CA 3.14Å; A78-S81 PolarHBondContact O-N 3.17Å
82L98.6Very high98.3Very high1 Ų133 Ų331%0.00517%0.171CC..  trans-89.7141171.4-63.9170.2000110.7L53 G57 A60 L77 E80 I84 A136L53-L82 HydrophobicContact CB-CD1 4.13Å; G57-L82 VanDerWaalsContact O-CD2 3.25Å; G57-L82 WeakPolarHBondContact O-CD2 3.19Å; A60-L82 HydrophobicContact CB-CB 4.43Å; A60-L82 HydrophobicContact CB-CD1 4.06Å; L77-L82 HydrophobicContact CB-CD1 4.22Å; L77-L82 HydrophobicContact CD2-CD1 3.76Å; L77-L82 PolarHBondContact O-N 3.05Å; E80-L82 VanDerWaalsContact C-N 3.27Å; E80-L82 PolarHBondContact O-N 3.03Å; L82-I84 HydrophobicContact CB-CD1 4.25Å; L82-I84 WeakPolarHBondContact O-CD1 3.43Å; L82-A136 HydrophobicContact CD1-CB 4.23Å; L82-A136 HydrophobicContact CD2-CB 3.68Å
83N98.8Very high98.2Very high25 Ų2537.2 Ų37.213%0.13419%0.191CC..EExtended strand (participates in β ladder)trans-67.8147.4163-61.5-41.8000109.6E58 W59 A60 Q108E58-N83 WeakPolarHBondContact O-CB 3.28Å; E58-N83 PolarHBondContact O-N 2.92Å; W59-N83 CarbonylContact C-O 3.51Å; W59-N83 VanDerWaalsContact CA-O 3.3Å; W59-N83 WeakPolarHBondContact CA-O 3.39Å; W59-N83 HydrophobicContact CD2-CB 3.41Å; W59-N83 VanDerWaalsContact CD2-CB 3.41Å; W59-N83 HydrophobicContact CE3-CB 3.48Å; W59-N83 VanDerWaalsContact CE3-CB 3.48Å; W59-N83 HydrophobicContact CG-CB 4.01Å; W59-N83 HydrophobicContact CH2-CB 3.86Å; W59-N83 HydrophobicContact CZ2-CB 3.81Å; W59-N83 HydrophobicContact CZ3-CB 3.72Å; A60-N83 PolarHBondContact N-O 3.14Å; N83-Q108 CarbonylContact C-O 3.46Å; N83-Q108 VanDerWaalsContact CA-O 3.24Å; N83-Q108 WeakPolarHBondContact CA-O 3.47Å; N83-Q108 HydrophobicContact CB-CB 4.06Å; N83-Q108 WeakPolarHBondContact CB-O 3.39Å; N83-Q108 WeakPolarHBondContact OD1-CB 3.27Å; N83-Q108 PolarHBondContact OD1-N 3.25Å
84I98.9Very high98.2Very high0 Ų037.2 Ų37.20%019%0.191CC..EExtended strand (participates in β ladder)trans-121.6124.7-171-50.4-61.1000111.2A60 A74 L77 A78 L82 L86 I101 V107 Q108 T109 R110A60-I84 HydrophobicContact CB-CD1 4.08Å; A60-I84 WeakPolarHBondContact O-CA 3.3Å; A74-I84 HydrophobicContact CB-CG2 3.99Å; L77-I84 HydrophobicContact CB-CD1 3.8Å; A78-I84 HydrophobicContact CB-CD1 4.19Å; A78-I84 HydrophobicContact CB-CG1 3.94Å; L82-I84 HydrophobicContact CB-CD1 4.25Å; L82-I84 WeakPolarHBondContact O-CD1 3.43Å; I84-L86 HydrophobicContact CB-CD1 4.21Å; I84-L86 HydrophobicContact CG2-CD1 3.63Å; I84-L86 HydrophobicContact CG2-CG 3.82Å; I84-I101 HydrophobicContact CG1-CG2 4.1Å; I84-V107 HydrophobicContact CG1-CG2 4.42Å; I84-Q108 PolarHBondContact N-O 3.03Å; I84-T109 HydrophobicContact CB-CG2 4.41Å; I84-T109 CarbonylContact O-C 3.51Å; I84-T109 WeakPolarHBondContact O-CA 3.41Å; I84-R110 PolarHBondContact O-N 3.38Å
85M98.8Very high98.1Very high3 Ų338.9 Ų38.92%0.01520%0.202CC..EExtended strand (participates in β ladder)trans-100111.5164.2175.869.982.400108.7W59 A60 V61 V62 I87 R110 V112 A128 L132W59-M85 HydrophobicContact CE3-CB 4.35Å; A60-M85 PolarHBondContact O-N 3.4Å; V61-M85 WeakPolarHBondContact CA-O 3.39Å; V61-M85 HydrophobicContact CB-CB 4.47Å; V61-M85 HydrophobicContact CG1-CB 4.38Å; V61-M85 HydrophobicContact CG1-CG 4.15Å; V61-M85 HydrophobicContact CG2-CB 4.12Å; V61-M85 HydrophobicContact CG2-CG 4.48Å; V62-M85 PolarHBondContact N-O 3.06Å; M85-I87 HydrophobicContact CG-CD1 4.44Å; M85-I87 HydrophobicContact CG-CG1 4.2Å; M85-R110 CarbonylContact C-O 3.5Å; M85-R110 WeakPolarHBondContact CA-O 3.41Å; M85-R110 HydrophobicContact CE-CB 4.04Å; M85-R110 HydrophobicContact SD-CB 3.86Å; M85-V112 HydrophobicContact SD-CG2 3.84Å; M85-A128 HydrophobicContact CE-CB 4.09Å; M85-A128 WeakPolarHBondContact CE-O 3.26Å; M85-L132 HydrophobicContact CB-CD1 4.07Å; M85-L132 HydrophobicContact CE-CD1 4.18Å; M85-L132 HydrophobicContact CE-CD2 3.8Å; M85-L132 HydrophobicContact CE-CG 4.2Å; M85-L132 HydrophobicContact CG-CD1 4.44Å
86L98.8Very high98.1Very high0 Ų042 Ų420%022%0.223CC..EExtended strand (participates in β ladder)trans-95.4132177.9-61.694.3000110.7A65 A74 I84 L94 V97 A98 I101 T109 R110 F111 V112A65-L86 HydrophobicContact CB-CB 3.84Å; A65-L86 HydrophobicContact CB-CD2 3.89Å; A65-L86 HydrophobicContact CB-CG 4.06Å; A74-L86 HydrophobicContact CB-CD2 4.27Å; I84-L86 HydrophobicContact CB-CD1 4.21Å; I84-L86 HydrophobicContact CG2-CD1 3.63Å; I84-L86 HydrophobicContact CG2-CG 3.82Å; L86-L94 HydrophobicContact CB-CD1 3.54Å; L86-L94 HydrophobicContact CB-CG 4.3Å; L86-L94 HydrophobicContact CD2-CD1 4.2Å; L86-V97 HydrophobicContact CD2-CB 4.23Å; L86-V97 HydrophobicContact CD2-CG1 3.47Å; L86-V97 VanDerWaalsContact CD2-CG1 3.47Å; L86-A98 HydrophobicContact CD1-CB 4.15Å; L86-I101 HydrophobicContact CD2-CD1 4.13Å; L86-T109 HydrophobicContact CD1-CG2 3.17Å; L86-R110 PolarHBondContact N-O 2.75Å; L86-F111 HydrophobicContact CB-CB 4.11Å; L86-F111 CarbonylContact O-C 3.49Å; L86-F111 WeakPolarHBondContact O-CA 3.35Å; L86-F111 WeakPolarHBondContact O-CB 3.31Å; L86-V112 PolarHBondContact O-N 3.12Å
87I98.8Very high98.1Very high0 Ų041.8 Ų41.80%022%0.223CC..EExtended strand (participates in β ladder)trans-126.4121.7177.7-50.7-179.4000108.8V61 V62 T63 G64 A65 M85 V112 A114 F116 I125 M177V61-I87 HydrophobicContact CG1-CD1 3.69Å; V61-I87 HydrophobicContact CG1-CG1 4.33Å; V62-I87 PolarHBondContact O-N 2.93Å; T63-I87 CarbonylContact C-O 3.52Å; T63-I87 WeakPolarHBondContact CA-O 3.4Å; G64-I87 PolarHBondContact N-O 3.43Å; A65-I87 PolarHBondContact N-O 3.33Å; M85-I87 HydrophobicContact CG-CD1 4.44Å; M85-I87 HydrophobicContact CG-CG1 4.2Å; I87-V112 WeakPolarHBondContact CA-O 3.27Å; I87-V112 HydrophobicContact CG1-CB 4.36Å; I87-V112 HydrophobicContact CG2-CB 4.47Å; I87-A114 HydrophobicContact CG2-CB 3.54Å; I87-F116 HydrophobicContact CB-CE2 4.48Å; I87-F116 HydrophobicContact CG2-CE2 3.64Å; I87-F116 HydrophobicContact CG2-CZ 3.69Å; I87-I125 HydrophobicContact CD1-CG2 4.08Å; I87-I125 HydrophobicContact CG2-CD1 4.17Å; I87-I125 HydrophobicContact CG2-CG1 4.44Å; I87-M177 HydrophobicContact CD1-CE 3.7Å
88S98.2Very high98.1Very high6 Ų642 Ų424%0.04222%0.224CC..EExtended strand (participates in β ladder)trans-162.5169.1176.6-150.10000110.5S66 V112 V113 A114S66-S88 WeakPolarHBondContact CB-OG 3.28Å; S66-S88 WeakPolarHBondContact OG-CB 3.4Å; S66-S88 PolarHBondContact OG-OG 3.34Å; S88-V112 PolarHBondContact N-O 3.29Å; S88-V113 CarbonylContact O-C 3.55Å; S88-V113 VanDerWaalsContact O-CA 3.27Å; S88-V113 WeakPolarHBondContact O-CA 3.41Å; S88-A114 CarbonylContact C-O 3.24Å; S88-A114 PolarHBondContact O-N 2.83Å
89N96.8Very high98.1Very high99 Ų9946.6 Ų46.653%0.52925%0.249SC..SBendtrans-88.7-23.7-177.962.4-15.2000114.5E91 A114 D115N89-E91 PolarHBondContact O-N 3.31Å; N89-A114 WeakPolarHBondContact CA-O 3.41Å; N89-A114 PolarHBondContact N-O 2.89Å; N89-D115 HydrophobicContact CB-CB 4.23Å
90D96.1Very high98.1Very high69 Ų6945.2 Ų45.237%0.36924%0.241SC..  trans-86.595.4-179.6-174.9-28.3000110.6E92 Q93 L94D90-E92 PolarHBondContact O-N 3.38Å; D90-E92 PolarHBondContact OD1-N 2.98Å; D90-Q93 HydrophobicContact CB-CB 4.26Å; D90-Q93 VanDerWaalsContact CG-CG 3.48Å; D90-Q93 WeakPolarHBondContact OD1-CB 3.37Å; D90-Q93 WeakPolarHBondContact OD1-CG 3.49Å; D90-Q93 PolarHBondContact OD1-N 2.87Å; D90-Q93 WeakPolarHBondContact OD2-CG 3.4Å; D90-L94 WeakPolarHBondContact O-CB 3.24Å; D90-L94 PolarHBondContact O-N 2.8Å
91E97.5Very high98.1Very high123 Ų12344.6 Ų44.658%0.57524%0.238SC*.Hα-helixtrans-58.7-43.7-176.9-178.7171.4-172.400113.1N89 L94 S95 V113N89-E91 PolarHBondContact O-N 3.31Å; E91-L94 PolarHBondContact O-N 2.89Å; E91-S95 VanDerWaalsContact O-CB 3.32Å; E91-S95 WeakPolarHBondContact O-CB 3.33Å; E91-S95 PolarHBondContact O-N 3.07Å; E91-S95 PolarHBondContact O-OG 3.11Å; E91-V113 HydrophobicContact CB-CG1 4.16Å; E91-V113 HydrophobicContact CB-CG2 3.68Å; E91-V113 HydrophobicContact CG-CG2 3.67Å
92E97.9Very high98.2Very high148 Ų14841.4 Ų41.469%0.69222%0.217SC*.Hα-helixtrans-64-52.9-176.9-173.4-177.4170.600110.3D90 L94 S95 C96D90-E92 PolarHBondContact O-N 3.38Å; D90-E92 PolarHBondContact OD1-N 2.98Å; E92-L94 VanDerWaalsContact C-N 3.33Å; E92-L94 PolarHBondContact O-N 2.89Å; E92-S95 PolarHBondContact O-N 3.19Å; E92-S95 PolarHBondContact O-OG 3.37Å; E92-C96 PolarHBondContact O-N 3.35Å; E92-C96 VanDerWaalsContact O-N 3.09Å
93Q97.2Very high98.2Very high91 Ų9147.9 Ų47.943%0.42525%0.252SS..Hα-helixtrans-64.8-39.6178.5-66-61.8-18.100111.7D90 S95 C96 V97D90-Q93 HydrophobicContact CB-CB 4.26Å; D90-Q93 VanDerWaalsContact CG-CG 3.48Å; D90-Q93 WeakPolarHBondContact OD1-CB 3.37Å; D90-Q93 WeakPolarHBondContact OD1-CG 3.49Å; D90-Q93 PolarHBondContact OD1-N 2.87Å; D90-Q93 WeakPolarHBondContact OD2-CG 3.4Å; Q93-S95 PolarHBondContact O-N 3.42Å; Q93-C96 PolarHBondContact O-N 3.47Å; Q93-V97 VanDerWaalsContact O-CG2 3.32Å; Q93-V97 WeakPolarHBondContact O-CG2 3.45Å; Q93-V97 PolarHBondContact O-N 2.69Å
94L97.8Very high98.1Very high0 Ų051.6 Ų51.60%027%0.271CS..Hα-helixtrans-63-42.1179.4-166.364.7000111.7A65 L86 D90 E91 E92 V97 A98 F111 V112A65-L94 HydrophobicContact CB-CD1 4.4Å; L86-L94 HydrophobicContact CB-CD1 3.54Å; L86-L94 HydrophobicContact CB-CG 4.3Å; L86-L94 HydrophobicContact CD2-CD1 4.2Å; D90-L94 WeakPolarHBondContact O-CB 3.24Å; D90-L94 PolarHBondContact O-N 2.8Å; E91-L94 PolarHBondContact O-N 2.89Å; E92-L94 VanDerWaalsContact C-N 3.33Å; E92-L94 PolarHBondContact O-N 2.89Å; L94-V97 PolarHBondContact O-N 3.35Å; L94-A98 VanDerWaalsContact O-CB 3.26Å; L94-A98 WeakPolarHBondContact O-CB 3.37Å; L94-A98 PolarHBondContact O-N 3.01Å; L94-F111 HydrophobicContact CD2-CB 3.77Å; L94-F111 HydrophobicContact CD2-CD2 3.8Å; L94-F111 HydrophobicContact CD2-CG 4.09Å; L94-F111 HydrophobicContact CG-CB 3.77Å; L94-F111 HydrophobicContact CG-CD2 4.19Å; L94-F111 HydrophobicContact CG-CG 4.08Å; L94-V112 WeakPolarHBondContact CD2-O 3.25Å
95S98.2Very high98.1Very high35 Ų3554.1 Ų54.125%0.24528%0.281CS..Hα-helixtrans-65-40.5176.376.30000112.1E91 E92 Q93 A98 N99E91-S95 VanDerWaalsContact O-CB 3.32Å; E91-S95 WeakPolarHBondContact O-CB 3.33Å; E91-S95 PolarHBondContact O-N 3.07Å; E91-S95 PolarHBondContact O-OG 3.11Å; E92-S95 PolarHBondContact O-N 3.19Å; E92-S95 PolarHBondContact O-OG 3.37Å; Q93-S95 PolarHBondContact O-N 3.42Å; S95-A98 PolarHBondContact O-N 3Å; S95-N99 WeakPolarHBondContact O-CB 3.4Å; S95-N99 VanDerWaalsContact O-CG 3.3Å; S95-N99 PolarHBondContact O-N 3.34Å; S95-N99 PolarHBondContact O-ND2 3.01Å
96C98.3Very high98Very high69 Ų6961.3 Ų61.347%0.46632%0.319SS..Hα-helixtrans-62-48.9176-178.10000111.3E92 Q93 A98 N99 R100E92-C96 PolarHBondContact O-N 3.35Å; E92-C96 VanDerWaalsContact O-N 3.09Å; Q93-C96 PolarHBondContact O-N 3.47Å; C96-A98 PolarHBondContact O-N 3.35Å; C96-N99 PolarHBondContact O-N 3.03Å; C96-R100 VanDerWaalsContact O-CB 3.25Å; C96-R100 WeakPolarHBondContact O-CB 3.32Å; C96-R100 PolarHBondContact O-N 3.37Å
97V98.5Very high98Very high4 Ų462.1 Ų62.12%0.02432%0.324CS..Hα-helixtrans-61.7-44.4176.7174.20000110.8E71 L86 Q93 L94 R100 I101E71-V97 HydrophobicContact CG-CG1 3.89Å; E71-V97 HydrophobicContact CG-CG2 4.01Å; L86-V97 HydrophobicContact CD2-CB 4.23Å; L86-V97 HydrophobicContact CD2-CG1 3.47Å; L86-V97 VanDerWaalsContact CD2-CG1 3.47Å; Q93-V97 VanDerWaalsContact O-CG2 3.32Å; Q93-V97 WeakPolarHBondContact O-CG2 3.45Å; Q93-V97 PolarHBondContact O-N 2.69Å; L94-V97 PolarHBondContact O-N 3.35Å; V97-R100 PolarHBondContact O-N 3Å; V97-I101 HydrophobicContact CG1-CD1 3.75Å; V97-I101 HydrophobicContact CG1-CG1 4.33Å; V97-I101 WeakPolarHBondContact O-CG1 3.39Å; V97-I101 PolarHBondContact O-N 2.82Å
98A98.6Very high98Very high4 Ų467.2 Ų67.23%0.03335%0.348CS..Hα-helixtrans-59.7-50.2179.900000112L86 L94 S95 C96 R100 I101 A102 T109 F111L86-A98 HydrophobicContact CD1-CB 4.15Å; L94-A98 VanDerWaalsContact O-CB 3.26Å; L94-A98 WeakPolarHBondContact O-CB 3.37Å; L94-A98 PolarHBondContact O-N 3.01Å; S95-A98 PolarHBondContact O-N 3Å; C96-A98 PolarHBondContact O-N 3.35Å; A98-R100 VanDerWaalsContact C-N 3.32Å; A98-R100 PolarHBondContact O-N 3.48Å; A98-I101 PolarHBondContact O-N 3.11Å; A98-A102 WeakPolarHBondContact O-CB 3.42Å; A98-A102 PolarHBondContact O-N 3.45Å; A98-T109 HydrophobicContact CB-CG2 3.76Å; A98-F111 HydrophobicContact CB-CD1 3.78Å
99N98.5Very high98Very high100 Ų10068.5 Ų68.554%0.53536%0.356SS..Hα-helixtrans-60.6-42.4177.3-73.2-30.1000111.7S95 C96 A102 N103S95-N99 WeakPolarHBondContact O-CB 3.4Å; S95-N99 VanDerWaalsContact O-CG 3.3Å; S95-N99 PolarHBondContact O-N 3.34Å; S95-N99 PolarHBondContact O-ND2 3.01Å; C96-N99 PolarHBondContact O-N 3.03Å; N99-A102 PolarHBondContact O-N 3.02Å; N99-N103 WeakPolarHBondContact O-CB 3.49Å; N99-N103 PolarHBondContact O-N 2.93Å; N99-N103 PolarHBondContact O-ND2 3.43Å
100R98.5Very high98.1Very high63 Ų6368 Ų6824%0.23835%0.346CS..Hα-helixtrans-64.2-43.1179-174.3178.157.869.6-6.2112.2E71 E75 C96 V97 A98 I104E71-R100 IonicContact OE1-CZ 2.8Å; E71-R100 IonicContact OE1-NH2 3.19Å; E71-R100 PolarHBondContact OE1-NH2 2.78Å; E75-R100 IonicContact OE1-CZ 2.83Å; E75-R100 IonicContact OE1-NH1 2.77Å; E75-R100 PolarHBondContact OE1-NH1 2.99Å; E75-R100 IonicContact OE1-NH2 3.41Å; E75-R100 PolarHBondContact OE1-NH2 3.33Å; C96-R100 VanDerWaalsContact O-CB 3.25Å; C96-R100 WeakPolarHBondContact O-CB 3.32Å; C96-R100 PolarHBondContact O-N 3.37Å; V97-R100 PolarHBondContact O-N 3Å; A98-R100 VanDerWaalsContact C-N 3.32Å; A98-R100 PolarHBondContact O-N 3.48Å; R100-I104 HydrophobicContact CG-CD1 3.67Å; R100-I104 HydrophobicContact CG-CG1 4.46Å; R100-I104 WeakPolarHBondContact O-CB 3.07Å; R100-I104 VanDerWaalsContact O-CG1 3.27Å; R100-I104 WeakPolarHBondContact O-CG1 3.29Å; R100-I104 PolarHBondContact O-N 2.71Å
101I98.7Very high98.2Very high0 Ų068.5 Ų68.50%035%0.345CS..Hα-helixtrans-64.7-47.8177.2-73.5175.7000110.7A74 E75 A78 I84 L86 V97 A98 N103 I104 Y105 V107 T109A74-I101 HydrophobicContact CB-CD1 3.66Å; E75-I101 HydrophobicContact CG-CD1 4.43Å; E75-I101 HydrophobicContact CG-CG1 4.32Å; A78-I101 HydrophobicContact CB-CG2 3.75Å; I84-I101 HydrophobicContact CG1-CG2 4.1Å; L86-I101 HydrophobicContact CD2-CD1 4.13Å; V97-I101 HydrophobicContact CG1-CD1 3.75Å; V97-I101 HydrophobicContact CG1-CG1 4.33Å; V97-I101 WeakPolarHBondContact O-CG1 3.39Å; V97-I101 PolarHBondContact O-N 2.82Å; A98-I101 PolarHBondContact O-N 3.11Å; I101-N103 VanDerWaalsContact C-N 3.31Å; I101-N103 PolarHBondContact O-N 3.41Å; I101-I104 PolarHBondContact O-N 3.16Å; I101-Y105 HydrophobicContact CB-CD2 4.43Å; I101-Y105 HydrophobicContact CG2-CD2 4.09Å; I101-Y105 WeakPolarHBondContact O-CD2 3.42Å; I101-Y105 PolarHBondContact O-N 2.89Å; I101-V107 HydrophobicContact CG2-CG2 4.07Å; I101-T109 HydrophobicContact CG2-CG2 4.45Å
102A98.4Very high98.3Very high29 Ų2963.4 Ų63.424%0.2432%0.323CS..Hα-helixtrans-55.6-47177.500000111.5A98 N99 N106A98-A102 WeakPolarHBondContact O-CB 3.42Å; A98-A102 PolarHBondContact O-N 3.45Å; N99-A102 PolarHBondContact O-N 3.02Å; A102-N106 VanDerWaalsContact O-CA 3.23Å; A102-N106 WeakPolarHBondContact O-CA 3.39Å; A102-N106 PolarHBondContact O-N 3.14Å
103N98.1Very high98.3Very high137 Ų13758.7 Ų58.773%0.73330%0.304SS*.Hα-helixtrans-70.4-41.6-177.4-70.6-22.8000113.6N99 I101N99-N103 WeakPolarHBondContact O-CB 3.49Å; N99-N103 PolarHBondContact O-N 2.93Å; N99-N103 PolarHBondContact O-ND2 3.43Å; I101-N103 VanDerWaalsContact C-N 3.31Å; I101-N103 PolarHBondContact O-N 3.41Å
104I98.4Very high98.3Very high104 Ų10454.5 Ų54.553%0.53329%0.285SS..Hα-helixtrans-76.1-39.6-175.6-68.4174.8000111.6R100 I101R100-I104 HydrophobicContact CG-CD1 3.67Å; R100-I104 HydrophobicContact CG-CG1 4.46Å; R100-I104 WeakPolarHBondContact O-CB 3.07Å; R100-I104 VanDerWaalsContact O-CG1 3.27Å; R100-I104 WeakPolarHBondContact O-CG1 3.29Å; R100-I104 PolarHBondContact O-N 2.71Å; I101-I104 PolarHBondContact O-N 3.16Å
105Y98.2Very high98.3Very high53 Ų5357.1 Ų57.121%0.20830%0.299CS..Hα-helixtrans-106.5-7.1-170.9-56.6-68.2000113.8E75 A78 K79 I101 V107E75-Y105 HydrophobicContact CB-CE2 4.27Å; E75-Y105 HydrophobicContact CG-CE2 4.3Å; A78-Y105 HydrophobicContact CB-CD2 3.54Å; A78-Y105 HydrophobicContact CB-CE2 4.2Å; A78-Y105 HydrophobicContact CB-CG 3.75Å; K79-Y105 HydrophobicContact CB-CE1 4.49Å; K79-Y105 HydrophobicContact CD-CE1 4.2Å; K79-Y105 WeakPolarHBondContact CE-OH 3.21Å; K79-Y105 HydrophobicContact CG-CD1 3.89Å; K79-Y105 HydrophobicContact CG-CE1 3.3Å; I101-Y105 HydrophobicContact CB-CD2 4.43Å; I101-Y105 HydrophobicContact CG2-CD2 4.09Å; I101-Y105 WeakPolarHBondContact O-CD2 3.42Å; I101-Y105 PolarHBondContact O-N 2.89Å; Y105-V107 VanDerWaalsContact C-N 3.34Å; Y105-V107 PolarHBondContact O-N 3.24Å
106N97.7Very high98.3Very high153 Ų15355.7 Ų55.782%0.81829%0.288SS*.  trans54.846.9-179.9-167.846.4000112.8A102A102-N106 VanDerWaalsContact O-CA 3.23Å; A102-N106 WeakPolarHBondContact O-CA 3.39Å; A102-N106 PolarHBondContact O-N 3.14Å
107V98.4Very high98.3Very high18 Ų1853.3 Ų53.311%0.10927%0.271CS..  trans-119.3153.6177.5-62.20000110.4A78 I84 I101 Y105 T109A78-V107 HydrophobicContact CB-CG2 4.04Å; I84-V107 HydrophobicContact CG1-CG2 4.42Å; I101-V107 HydrophobicContact CG2-CG2 4.07Å; Y105-V107 VanDerWaalsContact C-N 3.34Å; Y105-V107 PolarHBondContact O-N 3.24Å; V107-T109 PolarHBondContact O-N 3.18Å; V107-T109 PolarHBondContact O-OG1 3.02Å
108Q98.5Very high98.3Very high107 Ų10757.8 Ų57.850%0.529%0.291SS..  trans-64.9132.7172.5-58-17420.400109.2W59 N83 I84W59-Q108 HydrophobicContact CH2-CB 3.68Å; W59-Q108 HydrophobicContact CZ2-CB 4Å; N83-Q108 CarbonylContact C-O 3.46Å; N83-Q108 VanDerWaalsContact CA-O 3.24Å; N83-Q108 WeakPolarHBondContact CA-O 3.47Å; N83-Q108 HydrophobicContact CB-CB 4.06Å; N83-Q108 WeakPolarHBondContact CB-O 3.39Å; N83-Q108 WeakPolarHBondContact OD1-CB 3.27Å; N83-Q108 PolarHBondContact OD1-N 3.25Å; I84-Q108 PolarHBondContact N-O 3.03Å
109T98.5Very high97.9Very high32 Ų3262.7 Ų62.720%0.19632%0.316CS..EExtended strand (participates in β ladder)trans-130.1127.9179.7-52.50000109.3I84 L86 A98 I101 V107I84-T109 HydrophobicContact CB-CG2 4.41Å; I84-T109 CarbonylContact O-C 3.51Å; I84-T109 WeakPolarHBondContact O-CA 3.41Å; L86-T109 HydrophobicContact CD1-CG2 3.17Å; A98-T109 HydrophobicContact CB-CG2 3.76Å; I101-T109 HydrophobicContact CG2-CG2 4.45Å; V107-T109 PolarHBondContact O-N 3.18Å; V107-T109 PolarHBondContact O-OG1 3.02Å
110R98.4Very high97.8Very high89 Ų8962.8 Ų62.834%0.33632%0.317SS..EExtended strand (participates in β ladder)trans-126.7154.9176-65.1-178.5-171.5-177.38.7108.4W59 I84 M85 L86W59-R110 HydrophobicContact CH2-CB 4.49Å; W59-R110 HydrophobicContact CH2-CG 3.79Å; W59-R110 HydrophobicContact CZ3-CB 4.25Å; W59-R110 HydrophobicContact CZ3-CG 4.05Å; I84-R110 PolarHBondContact O-N 3.38Å; M85-R110 CarbonylContact C-O 3.5Å; M85-R110 WeakPolarHBondContact CA-O 3.41Å; M85-R110 HydrophobicContact CE-CB 4.04Å; M85-R110 HydrophobicContact SD-CB 3.86Å; L86-R110 PolarHBondContact N-O 2.75Å
111F98.2Very high97.7Very high79 Ų7960.1 Ų60.135%0.34631%0.307SS..EExtended strand (participates in β ladder)trans-138.4155.8172.869.7-100000112.6L86 L94 A98 V113L86-F111 HydrophobicContact CB-CB 4.11Å; L86-F111 CarbonylContact O-C 3.49Å; L86-F111 WeakPolarHBondContact O-CA 3.35Å; L86-F111 WeakPolarHBondContact O-CB 3.31Å; L94-F111 HydrophobicContact CD2-CB 3.77Å; L94-F111 HydrophobicContact CD2-CD2 3.8Å; L94-F111 HydrophobicContact CD2-CG 4.09Å; L94-F111 HydrophobicContact CG-CB 3.77Å; L94-F111 HydrophobicContact CG-CD2 4.19Å; L94-F111 HydrophobicContact CG-CG 4.08Å; A98-F111 HydrophobicContact CB-CD1 3.78Å; F111-V113 HydrophobicContact CD2-CG2 4.14Å; F111-V113 HydrophobicContact CE2-CG2 3.96Å
112V98.4Very high97.7Very high16 Ų1660.8 Ų60.810%0.09731%0.31CS..EExtended strand (participates in β ladder)trans-127.3123.2172.7-1790000107.8M85 L86 I87 S88 L94 A114 I124 I125 A128M85-V112 HydrophobicContact SD-CG2 3.84Å; L86-V112 PolarHBondContact O-N 3.12Å; I87-V112 WeakPolarHBondContact CA-O 3.27Å; I87-V112 HydrophobicContact CG1-CB 4.36Å; I87-V112 HydrophobicContact CG2-CB 4.47Å; S88-V112 PolarHBondContact N-O 3.29Å; L94-V112 WeakPolarHBondContact CD2-O 3.25Å; V112-A114 HydrophobicContact CG1-CB 4.35Å; V112-A114 PolarHBondContact O-N 3.49Å; V112-I124 HydrophobicContact CG1-CD1 4.01Å; V112-I124 HydrophobicContact CG1-CG1 4.24Å; V112-I125 HydrophobicContact CG1-CG1 4.09Å; V112-A128 HydrophobicContact CG2-CB 3.45Å; V112-A128 VanDerWaalsContact CG2-CB 3.45Å
113V98.3Very high97.6Very high50 Ų5066.3 Ų66.330%0.30333%0.331SS..EExtended strand (participates in β ladder)trans-77.3116.6172.4-1750000108.2S88 E91 F111 I124S88-V113 CarbonylContact O-C 3.55Å; S88-V113 VanDerWaalsContact O-CA 3.27Å; S88-V113 WeakPolarHBondContact O-CA 3.41Å; E91-V113 HydrophobicContact CB-CG1 4.16Å; E91-V113 HydrophobicContact CB-CG2 3.68Å; E91-V113 HydrophobicContact CG-CG2 3.67Å; F111-V113 HydrophobicContact CD2-CG2 4.14Å; F111-V113 HydrophobicContact CE2-CG2 3.96Å; V113-I124 WeakPolarHBondContact O-CD1 3.34Å
114A98Very high97.6Very high3 Ų364.1 Ų64.13%0.02532%0.318CS..  trans-149.6119-169.300000111.7I87 S88 N89 V112 F116 V121 I125I87-A114 HydrophobicContact CG2-CB 3.54Å; S88-A114 CarbonylContact C-O 3.24Å; S88-A114 PolarHBondContact O-N 2.83Å; N89-A114 WeakPolarHBondContact CA-O 3.41Å; N89-A114 PolarHBondContact N-O 2.89Å; V112-A114 HydrophobicContact CG1-CB 4.35Å; V112-A114 PolarHBondContact O-N 3.49Å; A114-F116 HydrophobicContact CB-CE2 4.47Å; A114-V121 HydrophobicContact CB-CG2 3.35Å; A114-I125 HydrophobicContact CB-CD1 3.96Å; A114-I125 HydrophobicContact CB-CG1 4.22Å
115D98.1Very high97.6Very high55 Ų5559.2 Ų59.229%0.29429%0.293SS..  trans-91.4104.4170.6-178.50.5000110.6N89 T117 K118N89-D115 HydrophobicContact CB-CB 4.23Å; D115-T117 PolarHBondContact O-N 2.95Å; D115-T117 VanDerWaalsContact O-N 3.12Å; D115-T117 WeakPolarHBondContact OD1-CB 3.43Å; D115-T117 WeakPolarHBondContact OD1-CG2 3.25Å; D115-T117 PolarHBondContact OD1-N 2.98Å; D115-T117 PolarHBondContact OD1-OG1 3.35Å; D115-T117 PolarHBondContact OD2-OG1 3.3Å; D115-K118 HydrophobicContact CB-CG 4.08Å; D115-K118 PolarHBondContact O-N 3.28Å; D115-K118 WeakPolarHBondContact OD2-CE 3.32Å
116F98.4Very high97.6Very high5 Ų562 Ų622%0.02231%0.307CS..THydrogen-bonded Turntrans-70.81.1179.5-72.8-79.9000114.8T63 I87 A114 K118 V121 Y122 I125 V142 H168 C169 S173 M177T63-F116 HydrophobicContact CG2-CE2 4.28Å; T63-F116 HydrophobicContact CG2-CZ 3.84Å; I87-F116 HydrophobicContact CB-CE2 4.48Å; I87-F116 HydrophobicContact CG2-CE2 3.64Å; I87-F116 HydrophobicContact CG2-CZ 3.69Å; A114-F116 HydrophobicContact CB-CE2 4.47Å; F116-K118 VanDerWaalsContact C-N 3.29Å; F116-V121 HydrophobicContact CD1-CG1 4.32Å; F116-Y122 HydrophobicContact CD1-CE1 4.22Å; F116-Y122 HydrophobicContact CE1-CE1 4.04Å; F116-I125 HydrophobicContact CE1-CD1 3.78Å; F116-I125 HydrophobicContact CZ-CD1 3.82Å; F116-V142 HydrophobicContact CB-CG2 4.4Å; F116-V142 HydrophobicContact CD2-CB 4.15Å; F116-V142 HydrophobicContact CD2-CG1 3.92Å; F116-V142 HydrophobicContact CD2-CG2 3.72Å; F116-V142 HydrophobicContact CE2-CB 4.35Å; F116-V142 HydrophobicContact CE2-CG1 4.12Å; F116-V142 HydrophobicContact CE2-CG2 4.33Å; F116-V142 HydrophobicContact CG-CG1 4.11Å; F116-V142 HydrophobicContact CG-CG2 4.32Å; F116-H168 CarbonylContact O-C 3.58Å; F116-H168 VanDerWaalsContact O-C 3.24Å; F116-H168 WeakPolarHBondContact O-CB 3.34Å; F116-C169 WeakPolarHBondContact O-CA 3.5Å; F116-C169 PolarHBondContact O-N 3.36Å; F116-S173 VanDerWaalsContact CD1-CB 3.44Å; F116-M177 HydrophobicContact CE1-CG 3.86Å; F116-M177 HydrophobicContact CE1-SD 3.91Å; F116-M177 HydrophobicContact CZ-CG 4.25Å; F116-M177 HydrophobicContact CZ-SD 4.14Å
117T98.1Very high97.6Very high18 Ų1858.1 Ų58.111%0.1129%0.29CS..THydrogen-bonded Turntrans-78.3-17.1166.170.50000112.2D115 M144 N165 H168 C169D115-T117 PolarHBondContact O-N 2.95Å; D115-T117 VanDerWaalsContact O-N 3.12Å; D115-T117 WeakPolarHBondContact OD1-CB 3.43Å; D115-T117 WeakPolarHBondContact OD1-CG2 3.25Å; D115-T117 PolarHBondContact OD1-N 2.98Å; D115-T117 PolarHBondContact OD1-OG1 3.35Å; D115-T117 PolarHBondContact OD2-OG1 3.3Å; T117-M144 HydrophobicContact CG2-SD 4Å; T117-N165 HydrophobicContact CG2-CB 3.91Å; T117-H168 PolarHBondContact O-ND1 2.76Å; T117-C169 HydrophobicContact CG2-CB 4.22Å
118K97.1Very high97.6Very high99 Ų9958 Ų5843%0.4329%0.291SS..SBendtrans-97.6148.3-177.5-48.1-57.8177.4-170.90112.1D115 F116 D120 V121D115-K118 HydrophobicContact CB-CG 4.08Å; D115-K118 PolarHBondContact O-N 3.28Å; D115-K118 WeakPolarHBondContact OD2-CE 3.32Å; F116-K118 VanDerWaalsContact C-N 3.29Å; K118-D120 VanDerWaalsContact CB-OD1 3.29Å; K118-D120 WeakPolarHBondContact CB-OD1 3.34Å; K118-V121 VanDerWaalsContact O-CG1 3.26Å; K118-V121 WeakPolarHBondContact O-CG1 3.49Å
119N91.8Very high97.6Very high106 Ų10653.1 Ų53.157%0.56727%0.268SS*.SBendtrans-80.7-33.6-176.2-77.4-33.6000113.6V121 Y122 H168N119-V121 VanDerWaalsContact C-N 3.29Å; N119-Y122 WeakPolarHBondContact O-CD2 3.21Å; N119-H168 PolarHBondContact OD1-CE1 2.67Å; N119-H168 PolarHBondContact OD1-ND1 2.65Å
120D94.7Very high97.5Very high102 Ų10257.6 Ų57.655%0.54529%0.287SS..THydrogen-bonded Turntrans-78.4-11.1-177.958-17.9000113.1K118 Y122 E123K118-D120 VanDerWaalsContact CB-OD1 3.29Å; K118-D120 WeakPolarHBondContact CB-OD1 3.34Å; D120-Y122 PolarHBondContact O-N 3.12Å; D120-E123 VanDerWaalsContact O-CB 3.3Å; D120-E123 WeakPolarHBondContact O-CB 3.39Å; D120-E123 WeakPolarHBondContact O-CG 3.26Å; D120-E123 PolarHBondContact O-N 2.94Å
121V97.1Very high97.5Very high7 Ų759.6 Ų59.64%0.04230%0.3CS..Hα-helixtrans-53.4-27.1-178.776.10000113.8A114 F116 K118 N119 E123 I124 I125A114-V121 HydrophobicContact CB-CG2 3.35Å; F116-V121 HydrophobicContact CD1-CG1 4.32Å; K118-V121 VanDerWaalsContact O-CG1 3.26Å; K118-V121 WeakPolarHBondContact O-CG1 3.49Å; N119-V121 VanDerWaalsContact C-N 3.29Å; V121-E123 VanDerWaalsContact C-N 3.29Å; V121-E123 PolarHBondContact O-N 3.07Å; V121-I124 WeakPolarHBondContact O-CG1 3.36Å; V121-I125 HydrophobicContact CG1-CD1 4.48Å; V121-I125 HydrophobicContact CG2-CD1 4.1Å; V121-I125 WeakPolarHBondContact O-CG1 3.19Å; V121-I125 PolarHBondContact O-N 2.82Å
122Y97.9Very high97.5Very high15 Ų1555.9 Ų55.96%0.05928%0.284CS..Hα-helixtrans-75.3-17.5179.9-54-72000113.6F116 N119 D120 I124 I125 K126 L172 S173 T176 M177 I180F116-Y122 HydrophobicContact CD1-CE1 4.22Å; F116-Y122 HydrophobicContact CE1-CE1 4.04Å; N119-Y122 WeakPolarHBondContact O-CD2 3.21Å; D120-Y122 PolarHBondContact O-N 3.12Å; Y122-I124 VanDerWaalsContact C-N 3.29Å; Y122-I124 PolarHBondContact O-N 2.87Å; Y122-I125 HydrophobicContact CD1-CD1 4.28Å; Y122-I125 PolarHBondContact O-N 2.96Å; Y122-K126 WeakPolarHBondContact O-CB 3.01Å; Y122-K126 VanDerWaalsContact O-CG 3.26Å; Y122-K126 WeakPolarHBondContact O-CG 3.25Å; Y122-K126 PolarHBondContact O-N 2.79Å; Y122-L172 HydrophobicContact CE2-CD2 4.37Å; Y122-L172 HydrophobicContact CE2-CG 4.39Å; Y122-L172 PolarHBondContact OH-O 3.31Å; Y122-S173 VanDerWaalsContact OH-CA 3.22Å; Y122-S173 WeakPolarHBondContact OH-CA 3.37Å; Y122-S173 PolarHBondContact OH-N 3.03Å; Y122-T176 HydrophobicContact CD1-CG2 3.47Å; Y122-T176 VanDerWaalsContact CD1-CG2 3.47Å; Y122-T176 HydrophobicContact CD2-CG2 3.82Å; Y122-T176 HydrophobicContact CE1-CG2 3.5Å; Y122-T176 VanDerWaalsContact CE1-CG2 3.5Å; Y122-T176 HydrophobicContact CE2-CG2 3.86Å; Y122-T176 HydrophobicContact CG-CG2 3.63Å; Y122-M177 HydrophobicContact CD1-SD 4.36Å; Y122-M177 HydrophobicContact CE1-CG 4.44Å; Y122-M177 HydrophobicContact CE1-SD 4.28Å; Y122-I180 HydrophobicContact CD1-CD1 3.8Å; Y122-I180 HydrophobicContact CG-CD1 4.31Å
123E97.5Very high97.4Very high145 Ų14557.9 Ų57.968%0.67830%0.298SS*.Hα-helixtrans-65.8-33.5176.5-63.2-176.3-179.900111.8D120 V121 P127D120-E123 VanDerWaalsContact O-CB 3.3Å; D120-E123 WeakPolarHBondContact O-CB 3.39Å; D120-E123 WeakPolarHBondContact O-CG 3.26Å; D120-E123 PolarHBondContact O-N 2.94Å; V121-E123 VanDerWaalsContact C-N 3.29Å; V121-E123 PolarHBondContact O-N 3.07Å; E123-P127 WeakPolarHBondContact O-CD 3.48Å; E123-P127 WeakPolarHBondContact O-CG 3.29Å
124I97.7Very high97.3Very high91 Ų9156.8 Ų56.847%0.46729%0.291SS..Hα-helixtrans-86.3-30.9174.960.6167.8000112.6V112 V113 V121 Y122V112-I124 HydrophobicContact CG1-CD1 4.01Å; V112-I124 HydrophobicContact CG1-CG1 4.24Å; V113-I124 WeakPolarHBondContact O-CD1 3.34Å; V121-I124 WeakPolarHBondContact O-CG1 3.36Å; Y122-I124 VanDerWaalsContact C-N 3.29Å; Y122-I124 PolarHBondContact O-N 2.87Å
125I98.3Very high97.3Very high0 Ų056.6 Ų56.60%029%0.29CS..Hα-helixtrans-72.3-43.6-178.9-67.6168.7000111.4I87 V112 A114 F116 V121 Y122 A128 V129 M177I87-I125 HydrophobicContact CD1-CG2 4.08Å; I87-I125 HydrophobicContact CG2-CD1 4.17Å; I87-I125 HydrophobicContact CG2-CG1 4.44Å; V112-I125 HydrophobicContact CG1-CG1 4.09Å; A114-I125 HydrophobicContact CB-CD1 3.96Å; A114-I125 HydrophobicContact CB-CG1 4.22Å; F116-I125 HydrophobicContact CE1-CD1 3.78Å; F116-I125 HydrophobicContact CZ-CD1 3.82Å; V121-I125 HydrophobicContact CG1-CD1 4.48Å; V121-I125 HydrophobicContact CG2-CD1 4.1Å; V121-I125 WeakPolarHBondContact O-CG1 3.19Å; V121-I125 PolarHBondContact O-N 2.82Å; Y122-I125 HydrophobicContact CD1-CD1 4.28Å; Y122-I125 PolarHBondContact O-N 2.96Å; I125-A128 PolarHBondContact O-N 2.85Å; I125-V129 HydrophobicContact CG2-CG2 3.85Å; I125-V129 WeakPolarHBondContact O-CG2 3.34Å; I125-V129 PolarHBondContact O-N 2.85Å; I125-M177 HydrophobicContact CD1-SD 3.98Å; I125-M177 HydrophobicContact CG2-CE 3.81Å; I125-M177 HydrophobicContact CG2-SD 3.75Å
126K98.3Very high97.3Very high113 Ų11354 Ų5449%0.49128%0.276SS..Hα-helixtrans-56.3-51.5-175.3-74.9169-175.4174.90112.5Y122 A128 V129 E130 I180Y122-K126 WeakPolarHBondContact O-CB 3.01Å; Y122-K126 VanDerWaalsContact O-CG 3.26Å; Y122-K126 WeakPolarHBondContact O-CG 3.25Å; Y122-K126 PolarHBondContact O-N 2.79Å; K126-A128 VanDerWaalsContact C-N 3.32Å; K126-A128 PolarHBondContact O-N 3.06Å; K126-V129 PolarHBondContact O-N 3.3Å; K126-E130 PolarHBondContact O-N 3.41Å; K126-I180 HydrophobicContact CD-CD1 4.46Å; K126-I180 HydrophobicContact CG-CD1 3.7Å; K126-I180 HydrophobicContact CG-CG1 3.87Å; K126-I180 HydrophobicContact CG-CG2 4.04Å
127P98Very high97.3Very high71 Ų7153.8 Ų53.846%0.46128%0.275SS..Hα-helixtrans-63.1-37.1178.3-21.834.1000112.9E123 E130 Q131E123-P127 WeakPolarHBondContact O-CD 3.48Å; E123-P127 WeakPolarHBondContact O-CG 3.29Å; P127-E130 PolarHBondContact O-N 3.29Å; P127-Q131 WeakPolarHBondContact O-CG 3.28Å; P127-Q131 PolarHBondContact O-N 2.8Å
128A98.1Very high97.4Very high16 Ų1652.9 Ų52.913%0.13227%0.27CS..Hα-helixtrans-66.5-39.9179.300000112.3M85 V112 I125 K126M85-A128 HydrophobicContact CE-CB 4.09Å; M85-A128 WeakPolarHBondContact CE-O 3.26Å; V112-A128 HydrophobicContact CG2-CB 3.45Å; V112-A128 VanDerWaalsContact CG2-CB 3.45Å; I125-A128 PolarHBondContact O-N 2.85Å; K126-A128 VanDerWaalsContact C-N 3.32Å; K126-A128 PolarHBondContact O-N 3.06Å
129V98Very high97.5Very high3 Ų348.2 Ų48.22%0.01825%0.249CC..Hα-helixtrans-69.3-37.2175.2168.20000111.6I125 K126 Q131 L132 I135 I180 I181I125-V129 HydrophobicContact CG2-CG2 3.85Å; I125-V129 WeakPolarHBondContact O-CG2 3.34Å; I125-V129 PolarHBondContact O-N 2.85Å; K126-V129 PolarHBondContact O-N 3.3Å; V129-Q131 PolarHBondContact O-N 3.35Å; V129-L132 VanDerWaalsContact O-CB 3.29Å; V129-L132 WeakPolarHBondContact O-CB 3.36Å; V129-L132 WeakPolarHBondContact O-CG 3.16Å; V129-L132 PolarHBondContact O-N 3.2Å; V129-I135 HydrophobicContact CG1-CD1 3.99Å; V129-I180 HydrophobicContact CG1-CG2 4.26Å; V129-I181 HydrophobicContact CG1-CD1 4.35Å; V129-I181 HydrophobicContact CG1-CG1 3.64Å; V129-I181 HydrophobicContact CG2-CD1 4.33Å; V129-I181 HydrophobicContact CG2-CG1 4.4Å
130E97.2Very high97.8Very high127 Ų12743.2 Ų43.259%0.59322%0.223SC*.Hα-helixtrans-63-31.4-179.7-169.354.5-134.500112.4K126 P127 L132 K184K126-E130 PolarHBondContact O-N 3.41Å; P127-E130 PolarHBondContact O-N 3.29Å; E130-L132 PolarHBondContact O-N 3.47Å; E130-K184 IonicContact OE1-NZ 3.9Å
131Q97.6Very high98Very high130 Ų13039.4 Ų39.461%0.60720%0.203SC*.THydrogen-bonded Turntrans-68.5-9.5175.8-67.3171.215.800114.3P127 V129P127-Q131 WeakPolarHBondContact O-CG 3.28Å; P127-Q131 PolarHBondContact O-N 2.8Å; V129-Q131 PolarHBondContact O-N 3.35Å
132L98Very high98Very high2 Ų239.9 Ų39.91%0.0121%0.205CC..  trans-79139.2176.6-54-174.7000109.5W59 V61 M85 V129 E130 I135 K184W59-L132 HydrophobicContact CB-CB 4.44Å; W59-L132 HydrophobicContact CB-CD1 4.08Å; W59-L132 HydrophobicContact CD2-CD1 4.35Å; W59-L132 HydrophobicContact CD2-CD2 3.47Å; W59-L132 VanDerWaalsContact CD2-CD2 3.47Å; W59-L132 HydrophobicContact CD2-CG 4.31Å; W59-L132 HydrophobicContact CE3-CD1 4.44Å; W59-L132 HydrophobicContact CE3-CD2 3.66Å; W59-L132 HydrophobicContact CG-CB 4.07Å; W59-L132 HydrophobicContact CG-CD1 4.19Å; W59-L132 HydrophobicContact CG-CD2 3.93Å; W59-L132 HydrophobicContact CG-CG 4.27Å; W59-L132 HydrophobicContact CH2-CD2 4.25Å; W59-L132 HydrophobicContact CZ2-CD2 4.08Å; W59-L132 HydrophobicContact CZ3-CD2 4.04Å; V61-L132 HydrophobicContact CG2-CD1 3.78Å; M85-L132 HydrophobicContact CB-CD1 4.07Å; M85-L132 HydrophobicContact CE-CD1 4.18Å; M85-L132 HydrophobicContact CE-CD2 3.8Å; M85-L132 HydrophobicContact CE-CG 4.2Å; M85-L132 HydrophobicContact CG-CD1 4.44Å; V129-L132 VanDerWaalsContact O-CB 3.29Å; V129-L132 WeakPolarHBondContact O-CB 3.36Å; V129-L132 WeakPolarHBondContact O-CG 3.16Å; V129-L132 PolarHBondContact O-N 3.2Å; E130-L132 PolarHBondContact O-N 3.47Å; L132-I135 HydrophobicContact CB-CD1 4.46Å; L132-I135 HydrophobicContact CB-CG1 4.23Å; L132-I135 HydrophobicContact CD1-CD1 4.14Å; L132-I135 HydrophobicContact CD1-CG1 4.19Å; L132-K184 WeakPolarHBondContact O-CE 3.42Å; L132-K184 PolarHBondContact O-NZ 3.4Å
133S95.9Very high98Very high58 Ų5840.6 Ų40.641%0.40622%0.218SC..SBendtrans-65.9-72.5179.844.50000111E58 W59 K184E58-S133 WeakPolarHBondContact OE2-CB 3.42Å; E58-S133 PolarHBondContact OE2-OG 3.34Å; W59-S133 PolarHBondContact NE1-OG 2.72Å; S133-K184 WeakPolarHBondContact O-CE 3.36Å
134T97.4Very high98Very high26 Ų2636.1 Ų36.116%0.1620%0.197CC..  trans-133.3146.6175.256.90000109.8G57 E58 W59 Q188G57-T134 VanDerWaalsContact CA-OG1 3.23Å; G57-T134 WeakPolarHBondContact CA-OG1 3.39Å; E58-T134 PolarHBondContact N-O 3.33Å; E58-T134 PolarHBondContact N-OG1 2.64Å; W59-T134 WeakPolarHBondContact CB-O 3.29Å; W59-T134 PolarHBondContact N-O 2.95Å; T134-Q188 HydrophobicContact CG2-CG 3.99Å
135I98.4Very high97.9Very high0 Ų033 Ų330%019%0.188CC..EExtended strand (participates in β ladder)trans-115.1113.5-177-60.3170.2000108.4W59 V61 V129 L132 I181 K184 M185 Q188W59-I135 HydrophobicContact CB-CG1 4.39Å; W59-I135 CarbonylContact O-C 3.6Å; W59-I135 WeakPolarHBondContact O-CA 3.49Å; V61-I135 HydrophobicContact CG2-CD1 4.19Å; V61-I135 HydrophobicContact CG2-CG2 4.19Å; V129-I135 HydrophobicContact CG1-CD1 3.99Å; L132-I135 HydrophobicContact CB-CD1 4.46Å; L132-I135 HydrophobicContact CB-CG1 4.23Å; L132-I135 HydrophobicContact CD1-CD1 4.14Å; L132-I135 HydrophobicContact CD1-CG1 4.19Å; I135-I181 HydrophobicContact CD1-CG1 4.41Å; I135-I181 HydrophobicContact CD1-CG2 3.9Å; I135-I181 HydrophobicContact CG2-CG2 4.14Å; I135-K184 HydrophobicContact CD1-CD 4.14Å; I135-M185 HydrophobicContact CB-CG 3.98Å; I135-M185 HydrophobicContact CG2-CE 4.42Å; I135-M185 HydrophobicContact CG2-CG 4.12Å; I135-M185 HydrophobicContact CG2-SD 4.12Å; I135-Q188 PolarHBondContact O-NE2 3.35Å; I135-Q188 PolarHBondContact O-OE1 2.95Å
136A98.2Very high97.7Very high0 Ų034.6 Ų34.60%020%0.196CC..EExtended strand (participates in β ladder)trans-74.3-41.917500000111.8L53 A56 W59 L82 P193 G194L53-A136 WeakPolarHBondContact O-CB 3.45Å; A56-A136 HydrophobicContact CB-CB 3.94Å; W59-A136 PolarHBondContact O-N 2.79Å; L82-A136 HydrophobicContact CD1-CB 4.23Å; L82-A136 HydrophobicContact CD2-CB 3.68Å; A136-P193 VanDerWaalsContact O-CA 3.27Å; A136-P193 WeakPolarHBondContact O-CA 3.47Å; A136-G194 PolarHBondContact O-N 2.79Å
137C98.6Very high97.3Very high0 Ų032.5 Ų32.50%019%0.194CC..EExtended strand (participates in β ladder)trans-146.5131.9-170.5-168.30000112.3L53 A60 V61 L77 G194L53-C137 HydrophobicContact CD2-CB 4.15Å; A60-C137 CarbonylContact C-O 3.18Å; A60-C137 WeakPolarHBondContact CA-O 3.29Å; A60-C137 HydrophobicContact CB-CB 4.2Å; V61-C137 PolarHBondContact N-O 3.24Å; L77-C137 HydrophobicContact CD2-CB 4.21Å; C137-G194 VanDerWaalsContact CA-O 3.27Å; C137-G194 WeakPolarHBondContact CA-O 3.19Å
138L98.9Very high96.9Very high0 Ų030.8 Ų30.80%018%0.181CC..EExtended strand (participates in β ladder)trans-105.2129161.4167.362.4000108.8V61 N140 M177 I181 G194 I195 I196V61-L138 HydrophobicContact CB-CD1 4.02Å; V61-L138 HydrophobicContact CG1-CD1 4.09Å; V61-L138 CarbonylContact O-C 3.59Å; V61-L138 WeakPolarHBondContact O-CA 3.27Å; L138-N140 WeakPolarHBondContact CD2-ND2 3.21Å; L138-M177 HydrophobicContact CD2-CB 4.36Å; L138-I181 HydrophobicContact CB-CG2 4.31Å; L138-I181 HydrophobicContact CD1-CD1 3.71Å; L138-I181 HydrophobicContact CD2-CB 4.19Å; L138-I181 HydrophobicContact CD2-CD1 3.95Å; L138-I181 HydrophobicContact CD2-CG2 4.34Å; L138-I181 HydrophobicContact CG-CD1 4.27Å; L138-G194 PolarHBondContact N-O 3.23Å; L138-I195 HydrophobicContact CB-CG1 4.15Å; L138-I195 HydrophobicContact CB-CG2 4.37Å; L138-I195 HydrophobicContact CD2-CD1 4.26Å; L138-I195 HydrophobicContact CD2-CG1 4.32Å; L138-I195 HydrophobicContact CD2-CG2 4.11Å; L138-I195 HydrophobicContact CG-CG2 4.2Å; L138-I195 CarbonylContact O-C 3.49Å; L138-I195 WeakPolarHBondContact O-CA 3.37Å; L138-I196 PolarHBondContact O-N 2.88Å
139V98.9Very high96.5Very high0 Ų030.3 Ų30.30%018%0.176CC..EExtended strand (participates in β ladder)trans-110.999.9171.1-174.40000108.6V61 V62 T63 Y73 L77 N141 I196 L198V61-V139 PolarHBondContact O-N 2.99Å; V62-V139 HydrophobicContact CB-CB 4.44Å; V62-V139 HydrophobicContact CG1-CB 4.1Å; V62-V139 HydrophobicContact CG1-CG1 4.37Å; V62-V139 HydrophobicContact CG2-CB 4.17Å; V62-V139 HydrophobicContact CG2-CG2 4.2Å; T63-V139 PolarHBondContact N-O 2.88Å; T63-V139 PolarHBondContact OG1-O 2.81Å; Y73-V139 HydrophobicContact CD1-CG1 4.35Å; Y73-V139 HydrophobicContact CD1-CG2 4.22Å; Y73-V139 HydrophobicContact CD2-CG1 3.99Å; Y73-V139 HydrophobicContact CE2-CG1 4.34Å; Y73-V139 HydrophobicContact CG-CG1 3.97Å; Y73-V139 HydrophobicContact CG-CG2 4.45Å; L77-V139 HydrophobicContact CD1-CG2 3.75Å; V139-N141 VanDerWaalsContact C-N 3.31Å; V139-N141 HydrophobicContact CG1-CB 3.92Å; V139-N141 PolarHBondContact O-N 3.33Å; V139-I196 CarbonylContact C-O 3.48Å; V139-I196 WeakPolarHBondContact CA-O 3.48Å; V139-I196 HydrophobicContact CG1-CB 4.48Å; V139-I196 HydrophobicContact CG2-CB 4.35Å; V139-I196 HydrophobicContact CG2-CD1 4.34Å; V139-L198 HydrophobicContact CG1-CD2 3.72Å
140N98.9Very high96.2Very high1 Ų133.4 Ų33.41%0.00519%0.192CC..EExtended strand (participates in β ladder)trans-7984.8170.9-70.3-48.2000108.8T63 L138 T174 M177 T178 I196 N197 L198T63-N140 WeakPolarHBondContact OG1-CA 3.18Å; L138-N140 WeakPolarHBondContact CD2-ND2 3.21Å; N140-T174 HydrophobicContact CB-CG2 4.17Å; N140-M177 WeakPolarHBondContact OD1-CB 3.43Å; N140-T178 PolarHBondContact ND2-OG1 2.87Å; N140-T178 VanDerWaalsContact ND2-OG1 3.14Å; N140-I196 PolarHBondContact N-O 2.98Å; N140-N197 VanDerWaalsContact CB-OD1 3.31Å; N140-N197 WeakPolarHBondContact CB-OD1 3.43Å; N140-N197 PolarHBondContact ND2-OD1 3.04Å; N140-L198 WeakPolarHBondContact O-CB 3.35Å; N140-L198 PolarHBondContact O-N 3.02Å
141N98.8Very high96Very high23 Ų2332.4 Ų32.412%0.12319%0.186CC..  trans-104.1-26.9-178.2159.687.9000113.3T63 G64 I69 G70 V139 G143 L198T63-N141 VanDerWaalsContact O-CB 3.29Å; T63-N141 WeakPolarHBondContact O-CB 3.49Å; T63-N141 PolarHBondContact O-ND2 3.43Å; T63-N141 PolarHBondContact OG1-N 3.1Å; G64-N141 PolarHBondContact O-ND2 3.34Å; I69-N141 WeakPolarHBondContact CB-OD1 3.42Å; I69-N141 VanDerWaalsContact CG2-OD1 3.3Å; I69-N141 WeakPolarHBondContact CG2-OD1 3.32Å; G70-N141 WeakPolarHBondContact CA-ND2 3.47Å; G70-N141 PolarHBondContact N-ND2 3.06Å; G70-N141 PolarHBondContact N-OD1 3.47Å; V139-N141 VanDerWaalsContact C-N 3.31Å; V139-N141 HydrophobicContact CG1-CB 3.92Å; V139-N141 PolarHBondContact O-N 3.33Å; N141-G143 PolarHBondContact O-N 3.36Å; N141-L198 HydrophobicContact CB-CD2 3.76Å; N141-L198 HydrophobicContact CB-CG 3.89Å
142V98.4Very high95.7Very high16 Ų1631.4 Ų31.410%0.09719%0.189CC..  trans-50.2138.1-177.569.50000111.2T63 F116 S173T63-V142 PolarHBondContact O-N 2.87Å; T63-V142 WeakPolarHBondContact OG1-CG1 3.2Å; T63-V142 PolarHBondContact OG1-N 2.9Å; F116-V142 HydrophobicContact CB-CG2 4.4Å; F116-V142 HydrophobicContact CD2-CB 4.15Å; F116-V142 HydrophobicContact CD2-CG1 3.92Å; F116-V142 HydrophobicContact CD2-CG2 3.72Å; F116-V142 HydrophobicContact CE2-CB 4.35Å; F116-V142 HydrophobicContact CE2-CG1 4.12Å; F116-V142 HydrophobicContact CE2-CG2 4.33Å; F116-V142 HydrophobicContact CG-CG1 4.11Å; F116-V142 HydrophobicContact CG-CG2 4.32Å; V142-S173 WeakPolarHBondContact CG1-OG 3.43Å
143G97.3Very high95.2Very high31 Ų3135 Ų3532%0.3223%0.226SC..  trans-179.1158.7172.400000111.5N141 N170N141-G143 PolarHBondContact O-N 3.36Å; G143-N170 WeakPolarHBondContact CA-OD1 3.47Å
144M97.3Very high94.9Very high50 Ų5035.3 Ų35.325%0.24622%0.221CC..  trans-128.1153.6178.165.7-174-65.800110.6T117 L146 N165 I166 C169 N170 Y213T117-M144 HydrophobicContact CG2-SD 4Å; M144-L146 HydrophobicContact CE-CD2 4.5Å; M144-N165 HydrophobicContact CE-CB 4.38Å; M144-N165 HydrophobicContact SD-CB 4.22Å; M144-I166 HydrophobicContact CG-CB 4.17Å; M144-I166 HydrophobicContact CG-CG1 3.97Å; M144-I166 WeakPolarHBondContact O-CD1 3.45Å; M144-I166 HydrophobicContact SD-CB 4.39Å; M144-C169 HydrophobicContact CG-CB 3.86Å; M144-C169 HydrophobicContact SD-CB 3.61Å; M144-N170 PolarHBondContact N-OD1 3.42Å; M144-N170 PolarHBondContact O-ND2 2.99Å; M144-N170 VanDerWaalsContact O-ND2 3.07Å; M144-N170 PolarHBondContact O-OD1 3.18Å; M144-Y213 VanDerWaalsContact O-CD2 3.24Å; M144-Y213 WeakPolarHBondContact O-CD2 3.46Å; M144-Y213 WeakPolarHBondContact O-CE2 3.39Å
145G94.8Very high94.4Very high27 Ų2740.8 Ų40.828%0.27825%0.254SS..  trans-98171165.300000110.5
146L94.2Very high93.9Very high33 Ų3342.4 Ų42.417%0.17326%0.262CS..  trans-110.9165.6163.6-65.4-177.1000108.3M144 I148 P158 I166 L212M144-L146 HydrophobicContact CE-CD2 4.5Å; L146-I148 PolarHBondContact O-N 2.8Å; L146-P158 HydrophobicContact CD1-CB 3.83Å; L146-P158 HydrophobicContact CD1-CG 3.68Å; L146-I166 HydrophobicContact CD1-CD1 4.31Å; L146-I166 HydrophobicContact CD1-CG2 4.11Å; L146-I166 HydrophobicContact CD2-CB 4.39Å; L146-I166 HydrophobicContact CG-CB 4.4Å; L146-I166 HydrophobicContact CG-CD1 3.83Å; L146-I166 HydrophobicContact CG-CG2 4.47Å; L146-L212 HydrophobicContact CD1-CD2 4.01Å
147P90.5Very high93.6Very high69 Ų6943.5 Ų43.545%0.44827%0.27SS..  trans-47.5140.7168.6-28.236.4000111.5E149 N156P147-E149 PolarHBondContact O-N 3.21Å; P147-N156 HydrophobicContact CB-CB 4.23Å
148I90.4Very high93.4Very high35 Ų3544.8 Ų44.818%0.17928%0.278CS..SBendtrans-7693.6179.5-63.4175.9000107.7L146 Y209 V210 F309 R313L146-I148 PolarHBondContact O-N 2.8Å; I148-Y209 HydrophobicContact CG2-CG 4.48Å; I148-V210 HydrophobicContact CG1-CG1 4.01Å; I148-F309 HydrophobicContact CD1-CD1 4.1Å; I148-F309 HydrophobicContact CD1-CE1 4.29Å; I148-F309 HydrophobicContact CG2-CB 4.39Å; I148-F309 HydrophobicContact CG2-CD1 3.74Å; I148-R313 HydrophobicContact CG2-CB 4.2Å; I148-R313 WeakPolarHBondContact O-CB 3.46Å; I148-R313 WeakPolarHBondContact O-CG 3.45Å
149E89.7Confident93.2Very high5 Ų549.1 Ų49.12%0.02330%0.302CS..SBendtrans-149.7162.9-172.8-169.950.1-84.300111.5P147 E154 N156 Y209 R313 K317P147-E149 PolarHBondContact O-N 3.21Å; E149-E154 VanDerWaalsContact CD-CB 3.45Å; E149-E154 HydrophobicContact CG-CB 3.58Å; E149-E154 HydrophobicContact CG-CG 4.21Å; E149-E154 WeakPolarHBondContact OE1-CG 3.33Å; E149-N156 HydrophobicContact CB-CB 4.43Å; E149-N156 HydrophobicContact CG-CB 4.2Å; E149-Y209 PolarHBondContact N-O 3.27Å; E149-Y209 CarbonylContact O-C 3.47Å; E149-Y209 VanDerWaalsContact O-CA 3.22Å; E149-Y209 WeakPolarHBondContact O-CA 3.41Å; E149-R313 IonicContact OE1-CZ 3.23Å; E149-R313 IonicContact OE1-NE 3.6Å; E149-R313 PolarHBondContact OE1-NE 3.38Å; E149-R313 IonicContact OE1-NH2 2.68Å; E149-R313 PolarHBondContact OE1-NH2 2.7Å; E149-R313 IonicContact OE2-NE 3.09Å; E149-R313 IonicContact OE2-NH2 3.73Å; E149-K317 WeakPolarHBondContact OE2-CE 2.83Å; E149-K317 IonicContact OE2-NZ 3.1Å
150L90.6Very high93.1Very high69 Ų6956.7 Ų56.736%0.36134%0.337SS..  trans-53.2146.7166.5-66.9177.1000110.4T152 E154 S157 Y209L150-T152 PolarHBondContact O-N 3.23Å; L150-E154 HydrophobicContact CB-CG 3.93Å; L150-E154 HydrophobicContact CD1-CG 3.81Å; L150-E154 HydrophobicContact CG-CG 4.17Å; L150-S157 PolarHBondContact O-OG 2.88Å; L150-Y209 HydrophobicContact CD2-CD1 4.01Å; L150-Y209 HydrophobicContact CD2-CE1 3.8Å; L150-Y209 HydrophobicContact CG-CE1 4.5Å
151F92.4Very high93Very high106 Ų10662.4 Ų62.447%0.46536%0.364SS..SBendtrans-65.9-22.8-179.5-177.5-106.8000112.8P158F151-P158 HydrophobicContact CD2-CG 4.1Å; F151-P158 HydrophobicContact CE2-CB 4.48Å; F151-P158 HydrophobicContact CE2-CG 4.4Å
152T92.3Very high92.9Very high109 Ų10962.4 Ų62.467%0.66937%0.366SS*.SBendtrans-154159.5178.5-171.10000109.9L150 S157L150-T152 PolarHBondContact O-N 3.23Å; T152-S157 WeakPolarHBondContact CA-OG 3.3Å
153G88.3Confident92.9Very high76 Ų7664 Ų6478%0.78437%0.373SS*.SBendtrans88.4-2.2173.400000115.7
154E87.9Confident93Very high65 Ų6567.6 Ų67.630%0.30438%0.382SS..SBendtrans-123.4156.6179.7-62.3-85178.500110.8E149 L150 N156 S157 R313 K317E149-E154 VanDerWaalsContact CD-CB 3.45Å; E149-E154 HydrophobicContact CG-CB 3.58Å; E149-E154 HydrophobicContact CG-CG 4.21Å; E149-E154 WeakPolarHBondContact OE1-CG 3.33Å; L150-E154 HydrophobicContact CB-CG 3.93Å; L150-E154 HydrophobicContact CD1-CG 3.81Å; L150-E154 HydrophobicContact CG-CG 4.17Å; E154-N156 VanDerWaalsContact C-N 3.28Å; E154-N156 PolarHBondContact O-N 3.42Å; E154-S157 PolarHBondContact N-OG 3.23Å; E154-S157 VanDerWaalsContact O-CB 3.27Å; E154-S157 WeakPolarHBondContact O-CB 3.32Å; E154-S157 PolarHBondContact O-N 3.39Å; E154-S157 PolarHBondContact O-OG 2.94Å; E154-R313 IonicContact OE1-NH2 3.33Å; E154-R313 PolarHBondContact OE1-NH2 2.67Å; E154-R313 IonicContact OE2-NH2 2.69Å; E154-K317 IonicContact OE1-NZ 2.78Å; E154-K317 IonicContact OE2-NZ 3.23Å; E154-K317 PolarHBondContact OE2-NZ 2.78Å
155V86.7Confident93Very high141 Ų14166.7 Ų66.786%0.85538%0.378SS*.THydrogen-bonded Turntrans-57.2-40.9-175.41790000112.3S157V155-S157 VanDerWaalsContact C-N 3.32Å; V155-S157 PolarHBondContact O-N 3.16Å
156N88.2Confident93.2Very high34 Ų3465.4 Ų65.418%0.18237%0.365CS..THydrogen-bonded Turntrans-95.620-177.8-65.9-11.9000112.9P147 E149 E154 D320P147-N156 HydrophobicContact CB-CB 4.23Å; E149-N156 HydrophobicContact CB-CB 4.43Å; E149-N156 HydrophobicContact CG-CB 4.2Å; E154-N156 VanDerWaalsContact C-N 3.28Å; E154-N156 PolarHBondContact O-N 3.42Å; N156-D320 PolarHBondContact ND2-OD2 3.27Å; N156-D320 PolarHBondContact OD1-OD2 2.67Å
157S92.8Very high93.4Very high23 Ų2367 Ų6716%0.16137%0.372CS..SBendtrans-63.2149.5172.5-54.80000110.3L150 T152 E154 V155 N159L150-S157 PolarHBondContact O-OG 2.88Å; T152-S157 WeakPolarHBondContact CA-OG 3.3Å; E154-S157 PolarHBondContact N-OG 3.23Å; E154-S157 VanDerWaalsContact O-CB 3.27Å; E154-S157 WeakPolarHBondContact O-CB 3.32Å; E154-S157 PolarHBondContact O-N 3.39Å; E154-S157 PolarHBondContact O-OG 2.94Å; V155-S157 VanDerWaalsContact C-N 3.32Å; V155-S157 PolarHBondContact O-N 3.16Å; S157-N159 PolarHBondContact O-N 2.84Å
158P94.5Very high93.8Very high27 Ų2765.4 Ų65.418%0.17536%0.359CS..PPolyproline II helixtrans-55.3130.1173.3-24.934.6000112.7L146 F151 S162 I163L146-P158 HydrophobicContact CD1-CB 3.83Å; L146-P158 HydrophobicContact CD1-CG 3.68Å; F151-P158 HydrophobicContact CD2-CG 4.1Å; F151-P158 HydrophobicContact CE2-CB 4.48Å; F151-P158 HydrophobicContact CE2-CG 4.4Å; P158-S162 WeakPolarHBondContact CA-OG 3.41Å; P158-I163 HydrophobicContact CB-CD1 4.25Å; P158-I163 HydrophobicContact CB-CG1 3.79Å
159N95.2Very high94.2Very high92 Ų9264.2 Ų64.249%0.49235%0.353SS..PPolyproline II helixtrans-99.6172.4168.766.525.4000111.3S157 E161 S162 I163S157-N159 PolarHBondContact O-N 2.84Å; N159-E161 VanDerWaalsContact C-N 3.3Å; N159-E161 PolarHBondContact O-N 2.88Å; N159-E161 PolarHBondContact OD1-N 2.81Å; N159-S162 PolarHBondContact N-OG 3.45Å; N159-S162 PolarHBondContact O-N 2.93Å; N159-S162 PolarHBondContact O-OG 3.18Å; N159-S162 WeakPolarHBondContact OD1-CB 3.41Å; N159-S162 PolarHBondContact OD1-N 2.86Å; N159-S162 PolarHBondContact OD1-OG 3.34Å; N159-I163 WeakPolarHBondContact O-CB 3.44Å; N159-I163 WeakPolarHBondContact O-CD1 3.21Å; N159-I163 WeakPolarHBondContact O-CG1 3.5Å; N159-I163 PolarHBondContact O-N 3.06Å
160E96.1Very high94.6Very high158 Ų15864 Ų6474%0.73835%0.352SS*.Hα-helixtrans-52.4-44.1-177.3-67.1-175.6-17700113.4I163 Q164E160-I163 PolarHBondContact O-N 3.5Å; E160-Q164 WeakPolarHBondContact O-CG 3.38Å; E160-Q164 PolarHBondContact O-N 3Å
161E97.2Very high95Very high122 Ų12262.9 Ų62.957%0.5735%0.347SS*.Hα-helixtrans-64-50.3178.9-175.8-174.7175.900111.6N159 I163 Q164 N165N159-E161 VanDerWaalsContact C-N 3.3Å; N159-E161 PolarHBondContact O-N 2.88Å; N159-E161 PolarHBondContact OD1-N 2.81Å; E161-I163 PolarHBondContact O-N 3.36Å; E161-Q164 PolarHBondContact O-N 3.23Å; E161-N165 WeakPolarHBondContact O-CB 3.31Å; E161-N165 PolarHBondContact O-N 3.15Å; E161-N165 PolarHBondContact O-ND2 3.39Å
162S97Very high95.3Very high23 Ų2360.6 Ų60.616%0.16134%0.339CS..Hα-helixtrans-62.7-33.1179.271.70000112.4P158 N159 I166P158-S162 WeakPolarHBondContact CA-OG 3.41Å; N159-S162 PolarHBondContact N-OG 3.45Å; N159-S162 PolarHBondContact O-N 2.93Å; N159-S162 PolarHBondContact O-OG 3.18Å; N159-S162 WeakPolarHBondContact OD1-CB 3.41Å; N159-S162 PolarHBondContact OD1-N 2.86Å; N159-S162 PolarHBondContact OD1-OG 3.34Å; S162-I166 WeakPolarHBondContact O-CG2 3.35Å; S162-I166 PolarHBondContact O-N 3.33Å
163I98.1Very high95.6Very high48 Ų4855.4 Ų55.425%0.24631%0.307CS..Hα-helixtrans-66.6-47.7175.2-69.6165.6000110.1P158 N159 E160 E161 I166 I167 L212P158-I163 HydrophobicContact CB-CD1 4.25Å; P158-I163 HydrophobicContact CB-CG1 3.79Å; N159-I163 WeakPolarHBondContact O-CB 3.44Å; N159-I163 WeakPolarHBondContact O-CD1 3.21Å; N159-I163 WeakPolarHBondContact O-CG1 3.5Å; N159-I163 PolarHBondContact O-N 3.06Å; E160-I163 PolarHBondContact O-N 3.5Å; E161-I163 PolarHBondContact O-N 3.36Å; I163-I166 WeakPolarHBondContact O-CG2 3.41Å; I163-I167 HydrophobicContact CG2-CD1 3.84Å; I163-I167 WeakPolarHBondContact O-CB 3.26Å; I163-I167 WeakPolarHBondContact O-CD1 3.34Å; I163-I167 VanDerWaalsContact O-CG1 3.26Å; I163-I167 WeakPolarHBondContact O-CG1 3.16Å; I163-I167 PolarHBondContact O-N 3.06Å; I163-L212 HydrophobicContact CB-CD2 4.2Å; I163-L212 HydrophobicContact CG1-CD2 3.84Å; I163-L212 HydrophobicContact CG2-CD2 4.17Å
164Q98.1Very high96.1Very high108 Ų10852 Ų5251%0.50527%0.271SS..Hα-helixtrans-61.2-48.4175.8-71.51746.900110.9E160 E161 I166 I167 H168E160-Q164 WeakPolarHBondContact O-CG 3.38Å; E160-Q164 PolarHBondContact O-N 3Å; E161-Q164 PolarHBondContact O-N 3.23Å; Q164-I166 PolarHBondContact O-N 2.92Å; Q164-I167 PolarHBondContact O-N 3.32Å; Q164-H168 WeakPolarHBondContact O-CB 3.48Å; Q164-H168 PolarHBondContact O-CD2 3.44Å; Q164-H168 PolarHBondContact O-N 3.18Å
165N98.4Very high96.6Very high31 Ų3151.4 Ų51.417%0.16627%0.272CS..Hα-helixtrans-58-47.6-178.1-72.3-14.3000112.3T117 M144 E161 H168 C169T117-N165 HydrophobicContact CG2-CB 3.91Å; M144-N165 HydrophobicContact CE-CB 4.38Å; M144-N165 HydrophobicContact SD-CB 4.22Å; E161-N165 WeakPolarHBondContact O-CB 3.31Å; E161-N165 PolarHBondContact O-N 3.15Å; E161-N165 PolarHBondContact O-ND2 3.39Å; N165-H168 PolarHBondContact O-N 3.21Å; N165-C169 WeakPolarHBondContact O-CB 3.32Å; N165-C169 PolarHBondContact O-N 2.9Å
166I98.4Very high97.1Very high0 Ų046 Ų460%024%0.239CC..Hα-helixtrans-69.8-34.9179.8-168.4168.8000112.6M144 L146 S162 I163 Q164 N170 L212 Y213 T216M144-I166 HydrophobicContact CG-CB 4.17Å; M144-I166 HydrophobicContact CG-CG1 3.97Å; M144-I166 WeakPolarHBondContact O-CD1 3.45Å; M144-I166 HydrophobicContact SD-CB 4.39Å; L146-I166 HydrophobicContact CD1-CD1 4.31Å; L146-I166 HydrophobicContact CD1-CG2 4.11Å; L146-I166 HydrophobicContact CD2-CB 4.39Å; L146-I166 HydrophobicContact CG-CB 4.4Å; L146-I166 HydrophobicContact CG-CD1 3.83Å; L146-I166 HydrophobicContact CG-CG2 4.47Å; S162-I166 WeakPolarHBondContact O-CG2 3.35Å; S162-I166 PolarHBondContact O-N 3.33Å; I163-I166 WeakPolarHBondContact O-CG2 3.41Å; Q164-I166 PolarHBondContact O-N 2.92Å; I166-N170 WeakPolarHBondContact CG1-ND2 3.26Å; I166-N170 VanDerWaalsContact O-CB 3.23Å; I166-N170 WeakPolarHBondContact O-CB 3.45Å; I166-N170 PolarHBondContact O-N 3.34Å; I166-L212 HydrophobicContact CG2-CD2 3.4Å; I166-L212 HydrophobicContact CG2-CG 3.7Å; I166-Y213 HydrophobicContact CD1-CD2 4.26Å; I166-T216 HydrophobicContact CG1-CG2 4.33Å
167I98.5Very high97.6Very high65 Ų6544.4 Ų44.433%0.33323%0.23SC..Iπ-helixtrans-66.5-44.3176.1-70.7170.6000110.1I163 Q164 I171 L172 L212I163-I167 HydrophobicContact CG2-CD1 3.84Å; I163-I167 WeakPolarHBondContact O-CB 3.26Å; I163-I167 WeakPolarHBondContact O-CD1 3.34Å; I163-I167 VanDerWaalsContact O-CG1 3.26Å; I163-I167 WeakPolarHBondContact O-CG1 3.16Å; I163-I167 PolarHBondContact O-N 3.06Å; Q164-I167 PolarHBondContact O-N 3.32Å; I167-I171 HydrophobicContact CG2-CD1 4.46Å; I167-I171 WeakPolarHBondContact O-CA 3.32Å; I167-I171 WeakPolarHBondContact O-CB 3.31Å; I167-I171 PolarHBondContact O-N 2.97Å; I167-L172 PolarHBondContact O-N 2.93Å; I167-L172 VanDerWaalsContact O-N 3.09Å; I167-L212 HydrophobicContact CG1-CD1 4.48Å
168H98.3Very high97.9Very high36 Ų3643.5 Ų43.517%0.16722%0.224CC..Iπ-helixtrans-63.1-53176.5-72.3-170.5000111.3F116 T117 N119 Q164 N165 N170 L172 S173F116-H168 CarbonylContact O-C 3.58Å; F116-H168 VanDerWaalsContact O-C 3.24Å; F116-H168 WeakPolarHBondContact O-CB 3.34Å; T117-H168 PolarHBondContact O-ND1 2.76Å; N119-H168 PolarHBondContact OD1-CE1 2.67Å; N119-H168 PolarHBondContact OD1-ND1 2.65Å; Q164-H168 WeakPolarHBondContact O-CB 3.48Å; Q164-H168 PolarHBondContact O-CD2 3.44Å; Q164-H168 PolarHBondContact O-N 3.18Å; N165-H168 PolarHBondContact O-N 3.21Å; H168-N170 PolarHBondContact O-N 3.23Å; H168-L172 WeakPolarHBondContact O-CB 3.44Å; H168-L172 PolarHBondContact O-N 3.37Å; H168-S173 PolarHBondContact O-N 3.03Å
169C98.6Very high98.1Very high10 Ų1046.1 Ų46.17%0.06824%0.243CC..Iπ-helixtrans-66.2-35.3-174.7-176.80000112.9F116 T117 M144 N165 S173F116-C169 WeakPolarHBondContact O-CA 3.5Å; F116-C169 PolarHBondContact O-N 3.36Å; T117-C169 HydrophobicContact CG2-CB 4.22Å; M144-C169 HydrophobicContact CG-CB 3.86Å; M144-C169 HydrophobicContact SD-CB 3.61Å; N165-C169 WeakPolarHBondContact O-CB 3.32Å; N165-C169 PolarHBondContact O-N 2.9Å; C169-S173 VanDerWaalsContact O-CB 3.29Å; C169-S173 WeakPolarHBondContact O-CB 3.39Å; C169-S173 PolarHBondContact O-OG 3.4Å
170N98.6Very high98.2Very high0 Ų043.3 Ų43.30%023%0.227CC..Iπ-helixtrans-94.6-53.4-177.1-63.92.3000112.3G143 M144 I166 H168 S173 T174 T216 I220G143-N170 WeakPolarHBondContact CA-OD1 3.47Å; M144-N170 PolarHBondContact N-OD1 3.42Å; M144-N170 PolarHBondContact O-ND2 2.99Å; M144-N170 VanDerWaalsContact O-ND2 3.07Å; M144-N170 PolarHBondContact O-OD1 3.18Å; I166-N170 WeakPolarHBondContact CG1-ND2 3.26Å; I166-N170 VanDerWaalsContact O-CB 3.23Å; I166-N170 WeakPolarHBondContact O-CB 3.45Å; I166-N170 PolarHBondContact O-N 3.34Å; H168-N170 PolarHBondContact O-N 3.23Å; N170-S173 PolarHBondContact O-OG 3.3Å; N170-T174 PolarHBondContact O-OG1 3.31Å; N170-T216 HydrophobicContact CB-CG2 4.22Å; N170-T216 PolarHBondContact ND2-OG1 3.1Å; N170-I220 HydrophobicContact CB-CD1 4.48Å; N170-I220 VanDerWaalsContact O-CD1 3.27Å; N170-I220 WeakPolarHBondContact O-CD1 3.37Å
171I98.7Very high98.4Very high47 Ų4735.8 Ų35.824%0.24119%0.192CC..Iπ-helixtrans-86.6-56.8-171.9-54.7179000110.4I167 S173 T174 V175 T216 A219I167-I171 HydrophobicContact CG2-CD1 4.46Å; I167-I171 WeakPolarHBondContact O-CA 3.32Å; I167-I171 WeakPolarHBondContact O-CB 3.31Å; I167-I171 PolarHBondContact O-N 2.97Å; I171-S173 VanDerWaalsContact C-N 3.31Å; I171-S173 PolarHBondContact O-N 3.49Å; I171-T174 PolarHBondContact O-N 3.42Å; I171-V175 HydrophobicContact CG2-CG2 4.37Å; I171-V175 WeakPolarHBondContact O-CG2 3.31Å; I171-V175 PolarHBondContact O-N 2.96Å; I171-T216 HydrophobicContact CD1-CG2 3.9Å; I171-T216 HydrophobicContact CG1-CG2 3.94Å; I171-A219 HydrophobicContact CD1-CB 3.88Å; I171-A219 HydrophobicContact CG1-CB 4.26Å
172L98.4Very high98.4Very high58 Ų5830.9 Ų30.930%0.30417%0.17SC..Iπ-helixtrans-63.3-40.1-172.6-172.762.4000111.1Y122 I167 H168 T174 V175 T176Y122-L172 HydrophobicContact CE2-CD2 4.37Å; Y122-L172 HydrophobicContact CE2-CG 4.39Å; Y122-L172 PolarHBondContact OH-O 3.31Å; I167-L172 PolarHBondContact O-N 2.93Å; I167-L172 VanDerWaalsContact O-N 3.09Å; H168-L172 WeakPolarHBondContact O-CB 3.44Å; H168-L172 PolarHBondContact O-N 3.37Å; L172-T174 PolarHBondContact O-N 3.12Å; L172-V175 PolarHBondContact O-N 2.64Å; L172-T176 WeakPolarHBondContact CD1-OG1 3.36Å; L172-T176 WeakPolarHBondContact O-CB 3.38Å; L172-T176 PolarHBondContact O-N 3.11Å; L172-T176 PolarHBondContact O-OG1 3Å
173S98.6Very high98.3Very high0 Ų033.3 Ų33.30%019%0.185CC..Hα-helixtrans-54.3-51.9173.2690000111.9F116 Y122 V142 H168 C169 N170 I171 V175 T176 M177F116-S173 VanDerWaalsContact CD1-CB 3.44Å; Y122-S173 VanDerWaalsContact OH-CA 3.22Å; Y122-S173 WeakPolarHBondContact OH-CA 3.37Å; Y122-S173 PolarHBondContact OH-N 3.03Å; V142-S173 WeakPolarHBondContact CG1-OG 3.43Å; H168-S173 PolarHBondContact O-N 3.03Å; C169-S173 VanDerWaalsContact O-CB 3.29Å; C169-S173 WeakPolarHBondContact O-CB 3.39Å; C169-S173 PolarHBondContact O-OG 3.4Å; N170-S173 PolarHBondContact O-OG 3.3Å; I171-S173 VanDerWaalsContact C-N 3.31Å; I171-S173 PolarHBondContact O-N 3.49Å; S173-V175 PolarHBondContact O-N 3.49Å; S173-T176 PolarHBondContact O-N 3.4Å; S173-M177 WeakPolarHBondContact O-CB 3.47Å; S173-M177 WeakPolarHBondContact O-CG 3.3Å; S173-M177 PolarHBondContact O-N 2.87Å
174T98.8Very high98.2Very high3 Ų333 Ų332%0.01818%0.182CC..Hα-helixtrans-60.6-48.4-178.7-61.10000111.1N140 N170 I171 L172 T178 I220 F223N140-T174 HydrophobicContact CB-CG2 4.17Å; N170-T174 PolarHBondContact O-OG1 3.31Å; I171-T174 PolarHBondContact O-N 3.42Å; L172-T174 PolarHBondContact O-N 3.12Å; T174-T178 WeakPolarHBondContact O-CB 3.29Å; T174-T178 PolarHBondContact O-N 3.32Å; T174-T178 VanDerWaalsContact O-N 3.15Å; T174-T178 PolarHBondContact O-OG1 2.8Å; T174-I220 HydrophobicContact CG2-CG1 4.34Å; T174-I220 HydrophobicContact CG2-CG2 4.19Å; T174-F223 HydrophobicContact CG2-CD1 4.28Å; T174-F223 HydrophobicContact CG2-CE1 4.3Å
175V98.6Very high98.1Very high54 Ų5427.9 Ų27.933%0.32716%0.158SC..Hα-helixtrans-69.6-44.6-176.9176.90000111I171 L172 S173 T178 S179 F223I171-V175 HydrophobicContact CG2-CG2 4.37Å; I171-V175 WeakPolarHBondContact O-CG2 3.31Å; I171-V175 PolarHBondContact O-N 2.96Å; L172-V175 PolarHBondContact O-N 2.64Å; S173-V175 PolarHBondContact O-N 3.49Å; V175-T178 WeakPolarHBondContact O-CB 3.43Å; V175-T178 PolarHBondContact O-N 2.86Å; V175-S179 WeakPolarHBondContact O-CB 3.48Å; V175-S179 PolarHBondContact O-N 3.14Å; V175-F223 HydrophobicContact CB-CZ 4.44Å; V175-F223 HydrophobicContact CG1-CE2 4.27Å; V175-F223 HydrophobicContact CG1-CZ 4.35Å; V175-F223 HydrophobicContact CG2-CD1 4.18Å; V175-F223 HydrophobicContact CG2-CD2 4.16Å; V175-F223 HydrophobicContact CG2-CE1 4.18Å; V175-F223 HydrophobicContact CG2-CE2 4.16Å; V175-F223 HydrophobicContact CG2-CG 4.17Å; V175-F223 HydrophobicContact CG2-CZ 4.16Å
176T98.5Very high97.9Very high27 Ų2729.3 Ų29.317%0.16617%0.165CC..Hα-helixtrans-73.5-43.3-175-51.30000111.5Y122 L172 S173 T178 S179 I180Y122-T176 HydrophobicContact CD1-CG2 3.47Å; Y122-T176 VanDerWaalsContact CD1-CG2 3.47Å; Y122-T176 HydrophobicContact CD2-CG2 3.82Å; Y122-T176 HydrophobicContact CE1-CG2 3.5Å; Y122-T176 VanDerWaalsContact CE1-CG2 3.5Å; Y122-T176 HydrophobicContact CE2-CG2 3.86Å; Y122-T176 HydrophobicContact CG-CG2 3.63Å; L172-T176 WeakPolarHBondContact CD1-OG1 3.36Å; L172-T176 WeakPolarHBondContact O-CB 3.38Å; L172-T176 PolarHBondContact O-N 3.11Å; L172-T176 PolarHBondContact O-OG1 3Å; S173-T176 PolarHBondContact O-N 3.4Å; T176-T178 VanDerWaalsContact C-N 3.28Å; T176-T178 PolarHBondContact O-N 3.35Å; T176-S179 CarbonylContact O-C 3.34Å; T176-S179 WeakPolarHBondContact O-CB 3.2Å; T176-S179 PolarHBondContact O-N 2.66Å; T176-S179 VanDerWaalsContact O-N 3.11Å; T176-I180 HydrophobicContact CG2-CD1 3.95Å; T176-I180 HydrophobicContact CG2-CG1 4.45Å; T176-I180 VanDerWaalsContact O-CG1 3.26Å; T176-I180 WeakPolarHBondContact O-CG1 3.46Å; T176-I180 PolarHBondContact O-N 3.15Å
177M98.8Very high97.7Very high0 Ų034.7 Ų34.70%020%0.198CC..Hα-helixtrans-60.4-41.4173.6-70.1-58.7-59.500111.5V61 T63 I87 F116 Y122 I125 L138 N140 S173 I180 I181V61-M177 HydrophobicContact CG1-CE 4.33Å; T63-M177 HydrophobicContact CG2-CE 4.17Å; T63-M177 HydrophobicContact CG2-CG 4.19Å; I87-M177 HydrophobicContact CD1-CE 3.7Å; F116-M177 HydrophobicContact CE1-CG 3.86Å; F116-M177 HydrophobicContact CE1-SD 3.91Å; F116-M177 HydrophobicContact CZ-CG 4.25Å; F116-M177 HydrophobicContact CZ-SD 4.14Å; Y122-M177 HydrophobicContact CD1-SD 4.36Å; Y122-M177 HydrophobicContact CE1-CG 4.44Å; Y122-M177 HydrophobicContact CE1-SD 4.28Å; I125-M177 HydrophobicContact CD1-SD 3.98Å; I125-M177 HydrophobicContact CG2-CE 3.81Å; I125-M177 HydrophobicContact CG2-SD 3.75Å; L138-M177 HydrophobicContact CD2-CB 4.36Å; N140-M177 WeakPolarHBondContact OD1-CB 3.43Å; S173-M177 WeakPolarHBondContact O-CB 3.47Å; S173-M177 WeakPolarHBondContact O-CG 3.3Å; S173-M177 PolarHBondContact O-N 2.87Å; M177-I180 PolarHBondContact O-N 2.99Å; M177-I181 HydrophobicContact CE-CD1 3.69Å; M177-I181 WeakPolarHBondContact O-CB 3.19Å; M177-I181 PolarHBondContact O-N 3.38Å
178T98.7Very high97.4Very high4 Ų432.9 Ų32.93%0.02519%0.189CC..Hα-helixtrans-60-47.1172.4-62.10000111N140 T174 V175 T176 I180 I181 L182 I195 F223 L227N140-T178 PolarHBondContact ND2-OG1 2.87Å; N140-T178 VanDerWaalsContact ND2-OG1 3.14Å; T174-T178 WeakPolarHBondContact O-CB 3.29Å; T174-T178 PolarHBondContact O-N 3.32Å; T174-T178 VanDerWaalsContact O-N 3.15Å; T174-T178 PolarHBondContact O-OG1 2.8Å; V175-T178 WeakPolarHBondContact O-CB 3.43Å; V175-T178 PolarHBondContact O-N 2.86Å; T176-T178 VanDerWaalsContact C-N 3.28Å; T176-T178 PolarHBondContact O-N 3.35Å; T178-I180 VanDerWaalsContact C-N 3.29Å; T178-I180 PolarHBondContact O-N 3.25Å; T178-I181 PolarHBondContact O-N 2.82Å; T178-L182 HydrophobicContact CG2-CB 4.34Å; T178-L182 HydrophobicContact CG2-CD2 4.32Å; T178-L182 WeakPolarHBondContact O-CB 3.25Å; T178-L182 PolarHBondContact O-N 3.35Å; T178-I195 HydrophobicContact CG2-CD1 3.71Å; T178-F223 HydrophobicContact CG2-CE1 4.27Å; T178-F223 HydrophobicContact CG2-CZ 3.99Å; T178-L227 HydrophobicContact CG2-CD2 3.53Å
179S98.2Very high97Very high82 Ų8240.8 Ų40.857%0.57322%0.223SC*.Hα-helixtrans-63.2-31.8178.4-1750000113.6V175 T176 P183V175-S179 WeakPolarHBondContact O-CB 3.48Å; V175-S179 PolarHBondContact O-N 3.14Å; T176-S179 CarbonylContact O-C 3.34Å; T176-S179 WeakPolarHBondContact O-CB 3.2Å; T176-S179 PolarHBondContact O-N 2.66Å; T176-S179 VanDerWaalsContact O-N 3.11Å; S179-P183 VanDerWaalsContact O-CD 3.25Å; S179-P183 WeakPolarHBondContact O-CD 3.31Å; S179-P183 WeakPolarHBondContact O-CG 3.43Å
180I98.4Very high96.5Very high33 Ų3343.7 Ų43.717%0.16924%0.235CC..Hα-helixtrans-74.6-45.8178.3-69.4164.1000110.5Y122 K126 V129 T176 M177 T178Y122-I180 HydrophobicContact CD1-CD1 3.8Å; Y122-I180 HydrophobicContact CG-CD1 4.31Å; K126-I180 HydrophobicContact CD-CD1 4.46Å; K126-I180 HydrophobicContact CG-CD1 3.7Å; K126-I180 HydrophobicContact CG-CG1 3.87Å; K126-I180 HydrophobicContact CG-CG2 4.04Å; V129-I180 HydrophobicContact CG1-CG2 4.26Å; T176-I180 HydrophobicContact CG2-CD1 3.95Å; T176-I180 HydrophobicContact CG2-CG1 4.45Å; T176-I180 VanDerWaalsContact O-CG1 3.26Å; T176-I180 WeakPolarHBondContact O-CG1 3.46Å; T176-I180 PolarHBondContact O-N 3.15Å; M177-I180 PolarHBondContact O-N 2.99Å; T178-I180 VanDerWaalsContact C-N 3.29Å; T178-I180 PolarHBondContact O-N 3.25Å
181I98.5Very high96.1Very high0 Ų046.6 Ų46.60%025%0.254CS..Hα-helixtrans-91.4-37.2-167.7-72.3168.8000112.6V61 V129 I135 L138 M177 T178 K184 M185V61-I181 HydrophobicContact CB-CD1 4.06Å; V61-I181 HydrophobicContact CG1-CD1 3.94Å; V61-I181 HydrophobicContact CG2-CD1 4.07Å; V129-I181 HydrophobicContact CG1-CD1 4.35Å; V129-I181 HydrophobicContact CG1-CG1 3.64Å; V129-I181 HydrophobicContact CG2-CD1 4.33Å; V129-I181 HydrophobicContact CG2-CG1 4.4Å; I135-I181 HydrophobicContact CD1-CG1 4.41Å; I135-I181 HydrophobicContact CD1-CG2 3.9Å; I135-I181 HydrophobicContact CG2-CG2 4.14Å; L138-I181 HydrophobicContact CB-CG2 4.31Å; L138-I181 HydrophobicContact CD1-CD1 3.71Å; L138-I181 HydrophobicContact CD2-CB 4.19Å; L138-I181 HydrophobicContact CD2-CD1 3.95Å; L138-I181 HydrophobicContact CD2-CG2 4.34Å; L138-I181 HydrophobicContact CG-CD1 4.27Å; M177-I181 HydrophobicContact CE-CD1 3.69Å; M177-I181 WeakPolarHBondContact O-CB 3.19Å; M177-I181 PolarHBondContact O-N 3.38Å; T178-I181 PolarHBondContact O-N 2.82Å; I181-K184 PolarHBondContact O-N 2.94Å; I181-K184 VanDerWaalsContact O-N 3.12Å; I181-M185 HydrophobicContact CG2-CG 3.68Å; I181-M185 HydrophobicContact CG2-SD 3.42Å; I181-M185 WeakPolarHBondContact CG2-SD 3.49Å; I181-M185 PolarHBondContact O-N 3.01Å
182L97.5Very high95.8Very high20 Ų2048.2 Ų48.211%0.10526%0.258CS..Hα-helixtrans-55.7-44.2-174.2179.364.1000113.2T178 K184 M185 L186 I195 L227 M231 F236T178-L182 HydrophobicContact CG2-CB 4.34Å; T178-L182 HydrophobicContact CG2-CD2 4.32Å; T178-L182 WeakPolarHBondContact O-CB 3.25Å; T178-L182 PolarHBondContact O-N 3.35Å; L182-K184 VanDerWaalsContact C-N 3.29Å; L182-K184 PolarHBondContact O-N 3.2Å; L182-M185 PolarHBondContact O-N 3.38Å; L182-M185 VanDerWaalsContact O-N 3.14Å; L182-L186 HydrophobicContact CD1-CD1 4.07Å; L182-L186 HydrophobicContact CD1-CD2 4.23Å; L182-L186 HydrophobicContact CD1-CG 3.87Å; L182-L186 HydrophobicContact CG-CD1 3.91Å; L182-L186 HydrophobicContact CG-CG 4.15Å; L182-L186 VanDerWaalsContact O-CG 3.31Å; L182-L186 WeakPolarHBondContact O-CG 3.35Å; L182-L186 PolarHBondContact O-N 3.29Å; L182-I195 HydrophobicContact CB-CD1 4.3Å; L182-I195 HydrophobicContact CD1-CD1 4.17Å; L182-L227 HydrophobicContact CD2-CD1 3.85Å; L182-L227 HydrophobicContact CD2-CD2 4.42Å; L182-M231 HydrophobicContact CD1-SD 4.38Å; L182-M231 HydrophobicContact CD2-SD 4.37Å; L182-F236 HydrophobicContact CD1-CD1 4.35Å; L182-F236 HydrophobicContact CD1-CD2 4.4Å; L182-F236 HydrophobicContact CD1-CE1 3.71Å; L182-F236 HydrophobicContact CD1-CE2 3.76Å; L182-F236 HydrophobicContact CD1-CZ 3.37Å
183P95.6Very high95.7Very high74 Ų7445.8 Ų45.848%0.48125%0.246SC..Hα-helixtrans-55.9-43.1178-26.536.1000112.8S179 L186 T187S179-P183 VanDerWaalsContact O-CD 3.25Å; S179-P183 WeakPolarHBondContact O-CD 3.31Å; S179-P183 WeakPolarHBondContact O-CG 3.43Å; P183-L186 PolarHBondContact O-N 3.4Å; P183-T187 PolarHBondContact O-N 2.74Å
184K95.1Very high95.7Very high40 Ų4045.8 Ų45.817%0.17425%0.246CC..Hα-helixtrans-66.8-40.8177.4-172.4177.7178.681.30111.9E130 L132 S133 I135 I181 L182 L186 T187E130-K184 IonicContact OE1-NZ 3.9Å; L132-K184 WeakPolarHBondContact O-CE 3.42Å; L132-K184 PolarHBondContact O-NZ 3.4Å; S133-K184 WeakPolarHBondContact O-CE 3.36Å; I135-K184 HydrophobicContact CD1-CD 4.14Å; I181-K184 PolarHBondContact O-N 2.94Å; I181-K184 VanDerWaalsContact O-N 3.12Å; L182-K184 VanDerWaalsContact C-N 3.29Å; L182-K184 PolarHBondContact O-N 3.2Å; K184-L186 PolarHBondContact O-N 2.91Å; K184-T187 PolarHBondContact O-N 3.15Å; K184-T187 PolarHBondContact O-OG1 3.31Å
185M96.7Very high95.7Very high2 Ų245.7 Ų45.71%0.0125%0.245CC..Hα-helixtrans-67.3-25.8176.4-58.9176.570.700113I135 I181 L182 Q188 P193 G194 I195 F236I135-M185 HydrophobicContact CB-CG 3.98Å; I135-M185 HydrophobicContact CG2-CE 4.42Å; I135-M185 HydrophobicContact CG2-CG 4.12Å; I135-M185 HydrophobicContact CG2-SD 4.12Å; I181-M185 HydrophobicContact CG2-CG 3.68Å; I181-M185 HydrophobicContact CG2-SD 3.42Å; I181-M185 WeakPolarHBondContact CG2-SD 3.49Å; I181-M185 PolarHBondContact O-N 3.01Å; L182-M185 PolarHBondContact O-N 3.38Å; L182-M185 VanDerWaalsContact O-N 3.14Å; M185-Q188 WeakPolarHBondContact O-CB 3.14Å; M185-P193 HydrophobicContact CE-CB 3.7Å; M185-G194 VanDerWaalsContact CE-N 3.27Å; M185-G194 WeakPolarHBondContact CE-O 3.28Å; M185-I195 HydrophobicContact SD-CG1 4.24Å; M185-F236 HydrophobicContact CB-CE2 3.59Å; M185-F236 HydrophobicContact CB-CZ 4.16Å; M185-F236 HydrophobicContact CE-CE2 3.77Å; M185-F236 HydrophobicContact CE-CZ 3.61Å; M185-F236 HydrophobicContact CG-CE2 4.49Å; M185-F236 HydrophobicContact SD-CE2 4.18Å; M185-F236 HydrophobicContact SD-CZ 3.84Å
186L94.6Very high95.7Very high60 Ų6043.1 Ų43.131%0.31423%0.229SC..Hα-helixtrans-81.4-18178.6-71178.4000114L182 P183 K184 Q188 M231 K234 F236L182-L186 HydrophobicContact CD1-CD1 4.07Å; L182-L186 HydrophobicContact CD1-CD2 4.23Å; L182-L186 HydrophobicContact CD1-CG 3.87Å; L182-L186 HydrophobicContact CG-CD1 3.91Å; L182-L186 HydrophobicContact CG-CG 4.15Å; L182-L186 VanDerWaalsContact O-CG 3.31Å; L182-L186 WeakPolarHBondContact O-CG 3.35Å; L182-L186 PolarHBondContact O-N 3.29Å; P183-L186 PolarHBondContact O-N 3.4Å; K184-L186 PolarHBondContact O-N 2.91Å; L186-Q188 VanDerWaalsContact C-N 3.35Å; L186-M231 HydrophobicContact CD1-SD 4.1Å; L186-M231 HydrophobicContact CD2-SD 4.05Å; L186-K234 HydrophobicContact CD1-CD 4.47Å; L186-K234 HydrophobicContact CD2-CB 4.38Å; L186-K234 HydrophobicContact CD2-CD 3.79Å; L186-F236 HydrophobicContact CD2-CD2 3.82Å; L186-F236 HydrophobicContact CD2-CE2 4.33Å; L186-F236 HydrophobicContact CD2-CG 4.32Å
187T93.4Very high95.7Very high113 Ų11341.8 Ų41.869%0.69322%0.221SC*.Hα-helixtrans-85.9-11.4175.358.30000113P183 K184P183-T187 PolarHBondContact O-N 2.74Å; K184-T187 PolarHBondContact O-N 3.15Å; K184-T187 PolarHBondContact O-OG1 3.31Å
188Q92.9Very high95.7Very high27 Ų2742.1 Ų42.113%0.12622%0.223CC..  trans-67.5148.4174.4-72.8167.6-158.300111.5A56 T134 I135 M185 L186 E190A56-Q188 PolarHBondContact O-NE2 2.9Å; T134-Q188 HydrophobicContact CG2-CG 3.99Å; I135-Q188 PolarHBondContact O-NE2 3.35Å; I135-Q188 PolarHBondContact O-OE1 2.95Å; M185-Q188 WeakPolarHBondContact O-CB 3.14Å; L186-Q188 VanDerWaalsContact C-N 3.35Å; Q188-E190 WeakPolarHBondContact CA-OE2 3.37Å; Q188-E190 WeakPolarHBondContact CB-OE2 3.34Å
189K88.6Confident95.7Very high203 Ų20342 Ų4288%0.88322%0.223SC*.  trans-97.7-10.6177.9-66.7-178.3179.8177.20112.4
190E88.8Confident95.7Very high70 Ų7038.6 Ų38.633%0.32720%0.199SC..SBendtrans-67140.8-176.9-70.581.4179.100111.4K55 A56 Q188 P193K55-E190 VanDerWaalsContact O-CB 3.25Å; K55-E190 WeakPolarHBondContact O-CB 3.48Å; K55-E190 WeakPolarHBondContact O-CG 3.38Å; A56-E190 VanDerWaalsContact O-CB 3.3Å; A56-E190 WeakPolarHBondContact O-CB 3.43Å; Q188-E190 WeakPolarHBondContact CA-OE2 3.37Å; Q188-E190 WeakPolarHBondContact CB-OE2 3.34Å; E190-P193 WeakPolarHBondContact O-CD 3.24Å
191P90.6Very high95.6Very high62 Ų6237.4 Ų37.440%0.40319%0.192SC..SBendtrans-82.3140.2-175.233.1-35.8000112.5A56 P193A56-P191 WeakPolarHBondContact CB-O 3.31Å; P191-P193 VanDerWaalsContact C-CD 3.43Å
192Y92.6Very high95.5Very high81 Ų8138.2 Ų38.232%0.31820%0.197SC..  trans63.538.3172.4-45.1-69000117.7K49 N235 I237 Y274K49-Y192 HydrophobicContact CD-CD2 4.43Å; Y192-N235 WeakPolarHBondContact CA-O 3.29Å; Y192-N235 PolarHBondContact N-O 2.83Å; Y192-I237 HydrophobicContact CD1-CD1 4.41Å; Y192-Y274 PolarHBondContact O-OH 3.38Å
193P96.7Very high95.4Very high7 Ų738 Ų385%0.04520%0.2CC..  trans-64.3156.916433.3-36000109.7A56 A136 M185 E190 P191 F236 I237 Y274A56-P193 HydrophobicContact CB-CB 4.32Å; A136-P193 VanDerWaalsContact O-CA 3.27Å; A136-P193 WeakPolarHBondContact O-CA 3.47Å; M185-P193 HydrophobicContact CE-CB 3.7Å; E190-P193 WeakPolarHBondContact O-CD 3.24Å; P191-P193 VanDerWaalsContact C-CD 3.43Å; P193-F236 HydrophobicContact CB-CD2 4.45Å; P193-F236 HydrophobicContact CB-CE2 4.21Å; P193-F236 HydrophobicContact CG-CD2 3.81Å; P193-F236 HydrophobicContact CG-CE2 4.01Å; P193-I237 PolarHBondContact O-N 3.19Å; P193-Y274 VanDerWaalsContact C-OH 3.3Å
194G97.6Very high95.3Very high0 Ų038.6 Ų38.60%020%0.195CC..EExtended strand (participates in β ladder)trans-167.2166.7-176.700000117.6A136 C137 L138 M185 I237 Y274A136-G194 PolarHBondContact O-N 2.79Å; C137-G194 VanDerWaalsContact CA-O 3.27Å; C137-G194 WeakPolarHBondContact CA-O 3.19Å; L138-G194 PolarHBondContact N-O 3.23Å; M185-G194 VanDerWaalsContact CE-N 3.27Å; M185-G194 WeakPolarHBondContact CE-O 3.28Å; G194-I237 CarbonylContact C-O 3.53Å; G194-I237 WeakPolarHBondContact CA-O 3.29Å; G194-Y274 WeakPolarHBondContact CA-OH 3.39Å; G194-Y274 PolarHBondContact N-OH 2.97Å
195I98.7Very high95Very high0 Ų038.3 Ų38.30%019%0.194CC..EExtended strand (participates in β ladder)trans-115126.1179.7-57178.2000108.4L138 T178 L182 M185 N197 F236 I237 I238 Q239L138-I195 HydrophobicContact CB-CG1 4.15Å; L138-I195 HydrophobicContact CB-CG2 4.37Å; L138-I195 HydrophobicContact CD2-CD1 4.26Å; L138-I195 HydrophobicContact CD2-CG1 4.32Å; L138-I195 HydrophobicContact CD2-CG2 4.11Å; L138-I195 HydrophobicContact CG-CG2 4.2Å; L138-I195 CarbonylContact O-C 3.49Å; L138-I195 WeakPolarHBondContact O-CA 3.37Å; T178-I195 HydrophobicContact CG2-CD1 3.71Å; L182-I195 HydrophobicContact CB-CD1 4.3Å; L182-I195 HydrophobicContact CD1-CD1 4.17Å; M185-I195 HydrophobicContact SD-CG1 4.24Å; I195-N197 WeakPolarHBondContact CG2-OD1 3.5Å; I195-F236 HydrophobicContact CB-CE1 4.5Å; I195-F236 HydrophobicContact CD1-CE1 4.15Å; I195-F236 HydrophobicContact CD1-CZ 4.14Å; I195-F236 HydrophobicContact CG1-CE1 3.83Å; I195-F236 HydrophobicContact CG1-CZ 3.83Å; I195-I237 PolarHBondContact N-O 2.95Å; I195-I238 HydrophobicContact CB-CD1 3.9Å; I195-I238 HydrophobicContact CD1-CD1 4.12Å; I195-I238 HydrophobicContact CG1-CD1 4.19Å; I195-Q239 PolarHBondContact O-N 3.02Å
196I98.8Very high94.8Very high0 Ų042.2 Ų42.20%022%0.217CC..EExtended strand (participates in β ladder)trans-103.5111.5171.9-55.4177.4000107.9Y73 L138 V139 N140 L198 Q239 M241 L271 Y274Y73-I196 HydrophobicContact CE1-CD1 4.03Å; L138-I196 PolarHBondContact O-N 2.88Å; V139-I196 CarbonylContact C-O 3.48Å; V139-I196 WeakPolarHBondContact CA-O 3.48Å; V139-I196 HydrophobicContact CG1-CB 4.48Å; V139-I196 HydrophobicContact CG2-CB 4.35Å; V139-I196 HydrophobicContact CG2-CD1 4.34Å; N140-I196 PolarHBondContact N-O 2.98Å; I196-L198 HydrophobicContact CG2-CD2 4.19Å; I196-Q239 CarbonylContact C-O 3.37Å; I196-Q239 WeakPolarHBondContact CA-O 3.27Å; I196-Q239 HydrophobicContact CG1-CB 4.27Å; I196-M241 HydrophobicContact CG2-CE 4.36Å; I196-M241 HydrophobicContact CG2-CG 3.69Å; I196-L271 HydrophobicContact CD1-CD1 3.9Å; I196-Y274 HydrophobicContact CD1-CD2 3.83Å; I196-Y274 HydrophobicContact CD1-CE2 4.32Å; I196-Y274 HydrophobicContact CG1-CD2 3.97Å; I196-Y274 HydrophobicContact CG1-CE2 4.14Å
197N98.9Very high94.6Very high0 Ų040.1 Ų40.10%021%0.206CC..EExtended strand (participates in β ladder)trans-100.8124.6176.9-68.8-23.8000110.3N140 I195 G199 I220 S224 Q239 M241N140-N197 VanDerWaalsContact CB-OD1 3.31Å; N140-N197 WeakPolarHBondContact CB-OD1 3.43Å; N140-N197 PolarHBondContact ND2-OD1 3.04Å; I195-N197 WeakPolarHBondContact CG2-OD1 3.5Å; N197-G199 PolarHBondContact O-N 3.03Å; N197-I220 HydrophobicContact CB-CG2 4.09Å; N197-S224 WeakPolarHBondContact CB-OG 3.48Å; N197-S224 PolarHBondContact ND2-OG 3.44Å; N197-Q239 PolarHBondContact N-O 3.16Å; N197-M241 PolarHBondContact O-N 2.55Å
198L98.7Very high94.5Very high7 Ų736.6 Ų36.64%0.03719%0.185CC..EExtended strand (participates in β ladder)trans-84.196.2176.9-77.2-67.7000109.6I69 Y73 V139 N140 N141 I196 K217 M241 Y266I69-L198 HydrophobicContact CG2-CD1 4.11Å; Y73-L198 HydrophobicContact CE2-CD1 4.31Å; Y73-L198 HydrophobicContact CE2-CD2 4.28Å; V139-L198 HydrophobicContact CG1-CD2 3.72Å; N140-L198 WeakPolarHBondContact O-CB 3.35Å; N140-L198 PolarHBondContact O-N 3.02Å; N141-L198 HydrophobicContact CB-CD2 3.76Å; N141-L198 HydrophobicContact CB-CG 3.89Å; I196-L198 HydrophobicContact CG2-CD2 4.19Å; L198-K217 PolarHBondContact O-NZ 3.36Å; L198-M241 HydrophobicContact CD1-CB 4.03Å; L198-Y266 HydrophobicContact CD1-CE1 4.3Å
199G98.2Very high94.4Very high2 Ų236.9 Ų36.92%0.02119%0.185CC..  trans-75-146.9163.600000111.5N197 M241N197-G199 PolarHBondContact O-N 3.03Å; G199-M241 CarbonylContact C-O 3.55Å; G199-M241 WeakPolarHBondContact CA-O 3.39Å; G199-M241 PolarHBondContact N-O 3.4Å
200S98.1Very high94.6Very high10 Ų1028.2 Ų28.27%0.0715%0.149CC..  trans-166.2149.9176.3171.20000108.2T202 G203 N242S200-T202 WeakPolarHBondContact CB-OG1 3.38Å; S200-T202 PolarHBondContact O-N 2.9Å; S200-T202 VanDerWaalsContact O-N 3.16Å; S200-T202 WeakPolarHBondContact OG-CB 3.39Å; S200-T202 PolarHBondContact OG-N 3.48Å; S200-T202 PolarHBondContact OG-OG1 3.24Å; S200-G203 PolarHBondContact O-N 3.46Å; S200-N242 PolarHBondContact N-OD1 3.34Å
201Y97.3Very high94.9Very high8 Ų827.1 Ų27.13%0.03115%0.149CC..G310 helixtrans-58-26.2169.1-175.8-107.4000112.4G203 F204 K205 F207 P243 L244 A290 Y293 N294 W301Y201-G203 PolarHBondContact O-N 3.27Å; Y201-F204 HydrophobicContact CD2-CD2 4.41Å; Y201-F204 PolarHBondContact O-N 3.18Å; Y201-F204 VanDerWaalsContact O-N 3.1Å; Y201-K205 HydrophobicContact CE1-CB 4.34Å; Y201-K205 HydrophobicContact CE1-CG 4.32Å; Y201-F207 AromaticContact CD1-CE2 3.92Å; Y201-F207 HydrophobicContact CD1-CE2 3.92Å; Y201-F207 AromaticContact CD1-CZ 3.71Å; Y201-F207 HydrophobicContact CD1-CZ 3.71Å; Y201-F207 HydrophobicContact CE1-CE2 4.13Å; Y201-F207 AromaticContact CE1-CZ 3.98Å; Y201-F207 HydrophobicContact CE1-CZ 3.98Å; Y201-P243 PolarHBondContact N-O 3.02Å; Y201-L244 HydrophobicContact CD1-CD2 4.18Å; Y201-L244 HydrophobicContact CD1-CG 4.12Å; Y201-L244 HydrophobicContact CD2-CD1 4.41Å; Y201-L244 HydrophobicContact CG-CD1 4.06Å; Y201-L244 HydrophobicContact CG-CD2 4.48Å; Y201-L244 HydrophobicContact CG-CG 4.01Å; Y201-A290 HydrophobicContact CD2-CB 3.96Å; Y201-A290 HydrophobicContact CE2-CB 3.62Å; Y201-Y293 AromaticContact CE1-CD2 3.82Å; Y201-Y293 HydrophobicContact CE1-CD2 3.82Å; Y201-Y293 WeakPolarHBondContact OH-CB 3.4Å; Y201-N294 PolarHBondContact OH-OD1 3.01Å; Y201-W301 HydrophobicContact CE1-CH2 4.1Å; Y201-W301 HydrophobicContact CE1-CZ2 4.38Å
202T95.8Very high95.2Very high17 Ų1725.5 Ų25.510%0.10414%0.137CC..G310 helixtrans-62.7-19.2173.163.70000114.1S200 F204 K205 F207 Y213 A214S200-T202 WeakPolarHBondContact CB-OG1 3.38Å; S200-T202 PolarHBondContact O-N 2.9Å; S200-T202 VanDerWaalsContact O-N 3.16Å; S200-T202 WeakPolarHBondContact OG-CB 3.39Å; S200-T202 PolarHBondContact OG-N 3.48Å; S200-T202 PolarHBondContact OG-OG1 3.24Å; T202-F204 VanDerWaalsContact C-N 3.29Å; T202-F204 PolarHBondContact O-N 2.95Å; T202-K205 VanDerWaalsContact O-O 3.04Å; T202-F207 VanDerWaalsContact CA-CD2 3.49Å; T202-F207 VanDerWaalsContact CA-CE2 3.5Å; T202-F207 HydrophobicContact CG2-CB 4.42Å; T202-F207 HydrophobicContact CG2-CD1 3.97Å; T202-F207 HydrophobicContact CG2-CD2 3.77Å; T202-F207 HydrophobicContact CG2-CE1 4.07Å; T202-F207 HydrophobicContact CG2-CE2 3.88Å; T202-F207 HydrophobicContact CG2-CG 3.8Å; T202-F207 HydrophobicContact CG2-CZ 4.02Å; T202-Y213 HydrophobicContact CG2-CE1 4.49Å; T202-Y213 WeakPolarHBondContact OG1-CE1 3.21Å; T202-A214 WeakPolarHBondContact O-CB 3.3Å
203G96.3Very high95.4Very high16 Ų1623.5 Ų23.517%0.16513%0.129CC..G310 helixtrans-78.2-8.1174.700000114.6S200 Y201 A218S200-G203 PolarHBondContact O-N 3.46Å; Y201-G203 PolarHBondContact O-N 3.27Å; G203-A218 WeakPolarHBondContact O-CB 3.29Å
204F92Very high95.4Very high85 Ų8523.7 Ų23.737%0.37313%0.131SC..THydrogen-bonded Turntrans-107.3-27.3178.8-63.9-65.4000114.7Y201 T202 I221 N242 Q279Y201-F204 HydrophobicContact CD2-CD2 4.41Å; Y201-F204 PolarHBondContact O-N 3.18Å; Y201-F204 VanDerWaalsContact O-N 3.1Å; T202-F204 VanDerWaalsContact C-N 3.29Å; T202-F204 PolarHBondContact O-N 2.95Å; F204-I221 HydrophobicContact CD2-CD1 4.32Å; F204-I221 HydrophobicContact CE1-CD1 4.02Å; F204-I221 HydrophobicContact CE1-CG2 3.66Å; F204-I221 HydrophobicContact CE2-CD1 3.81Å; F204-I221 HydrophobicContact CZ-CD1 3.58Å; F204-I221 HydrophobicContact CZ-CG1 4.09Å; F204-I221 HydrophobicContact CZ-CG2 3.74Å; F204-N242 HydrophobicContact CD2-CB 4.48Å; F204-N242 HydrophobicContact CE2-CB 3.63Å; F204-N242 HydrophobicContact CZ-CB 4.48Å; F204-Q279 VanDerWaalsContact CZ-CD 3.42Å; F204-Q279 HydrophobicContact CZ-CG 4.22Å
205K90.1Very high95.5Very high35 Ų3527.1 Ų27.115%0.15216%0.155CC..SBendtrans-119.4157.8-174.9-92.7-97.7-168.8165.10109.4Y201 T202 F207 Y293 N294 F296 W301Y201-K205 HydrophobicContact CE1-CB 4.34Å; Y201-K205 HydrophobicContact CE1-CG 4.32Å; T202-K205 VanDerWaalsContact O-O 3.04Å; K205-F207 HydrophobicContact CB-CD2 4.13Å; K205-F207 HydrophobicContact CB-CE2 3.71Å; K205-F207 WeakPolarHBondContact O-CD2 3.49Å; K205-F207 PolarHBondContact O-N 3.25Å; K205-Y293 WeakPolarHBondContact CE-O 3.39Å; K205-Y293 PolarHBondContact NZ-O 2.74Å; K205-N294 WeakPolarHBondContact CE-OD1 3.37Å; K205-F296 PolarHBondContact NZ-O 3.41Å; K205-F296 VanDerWaalsContact NZ-O 3.12Å; K205-W301 HydrophobicContact CB-CZ2 4.18Å; K205-W301 HydrophobicContact CD-CD2 4.05Å; K205-W301 HydrophobicContact CD-CG 4.11Å; K205-W301 HydrophobicContact CD-CZ2 4.35Å
206V91.7Very high95.5Very high83 Ų8327.1 Ų27.150%0.50316%0.155SC..  trans-74.3119.2176.2-1800000108.7I298 W301 L302V206-I298 HydrophobicContact CB-CD1 3.89Å; V206-I298 HydrophobicContact CG2-CD1 3.83Å; V206-W301 PolarHBondContact O-NE1 3.41Å; V206-L302 HydrophobicContact CG1-CD2 4.08Å
207F91.8Very high95.5Very high17 Ų1727.5 Ų27.58%0.07516%0.157CC..  trans-119.6101.1173.7-78.8-100.8000109.5Y201 T202 K205 V210 W301 I305 F309Y201-F207 AromaticContact CD1-CE2 3.92Å; Y201-F207 HydrophobicContact CD1-CE2 3.92Å; Y201-F207 AromaticContact CD1-CZ 3.71Å; Y201-F207 HydrophobicContact CD1-CZ 3.71Å; Y201-F207 HydrophobicContact CE1-CE2 4.13Å; Y201-F207 AromaticContact CE1-CZ 3.98Å; Y201-F207 HydrophobicContact CE1-CZ 3.98Å; T202-F207 VanDerWaalsContact CA-CD2 3.49Å; T202-F207 VanDerWaalsContact CA-CE2 3.5Å; T202-F207 HydrophobicContact CG2-CB 4.42Å; T202-F207 HydrophobicContact CG2-CD1 3.97Å; T202-F207 HydrophobicContact CG2-CD2 3.77Å; T202-F207 HydrophobicContact CG2-CE1 4.07Å; T202-F207 HydrophobicContact CG2-CE2 3.88Å; T202-F207 HydrophobicContact CG2-CG 3.8Å; T202-F207 HydrophobicContact CG2-CZ 4.02Å; K205-F207 HydrophobicContact CB-CD2 4.13Å; K205-F207 HydrophobicContact CB-CE2 3.71Å; K205-F207 WeakPolarHBondContact O-CD2 3.49Å; K205-F207 PolarHBondContact O-N 3.25Å; F207-V210 HydrophobicContact CB-CG2 3.46Å; F207-V210 VanDerWaalsContact CB-CG2 3.46Å; F207-V210 HydrophobicContact CG-CG2 4.39Å; F207-W301 HydrophobicContact CD1-CZ2 4.46Å; F207-W301 HydrophobicContact CD2-CZ2 4.35Å; F207-W301 HydrophobicContact CE1-CH2 4.28Å; F207-W301 AromaticContact CE1-CZ2 3.83Å; F207-W301 HydrophobicContact CE1-CZ2 3.83Å; F207-W301 HydrophobicContact CE2-CH2 4.49Å; F207-W301 AromaticContact CE2-CZ2 3.69Å; F207-W301 HydrophobicContact CE2-CZ2 3.69Å; F207-W301 AromaticContact CZ-CH2 3.87Å; F207-W301 HydrophobicContact CZ-CH2 3.87Å; F207-W301 AromaticContact CZ-CZ2 3.41Å; F207-W301 HydrophobicContact CZ-CZ2 3.41Å; F207-W301 VanDerWaalsContact CZ-CZ2 3.41Å; F207-I305 HydrophobicContact CD1-CD1 3.98Å; F207-I305 HydrophobicContact CD1-CG1 4.42Å; F207-I305 HydrophobicContact CD1-CG2 4.36Å; F207-I305 HydrophobicContact CE1-CD1 3.59Å; F207-I305 HydrophobicContact CE1-CG1 4.37Å; F207-I305 HydrophobicContact CZ-CD1 4.37Å; F207-F309 AromaticContact CD1-CE2 3.75Å; F207-F309 HydrophobicContact CD1-CE2 3.75Å; F207-F309 AromaticContact CD1-CZ 3.74Å; F207-F309 HydrophobicContact CD1-CZ 3.74Å; F207-F309 AromaticContact CE1-CE2 3.96Å; F207-F309 HydrophobicContact CE1-CE2 3.96Å; F207-F309 HydrophobicContact CE1-CZ 4.14Å
208P89.7Confident95.5Very high38 Ų3829.3 Ų29.325%0.24717%0.172CC..THydrogen-bonded Turntrans-54.2157167.9-24.535000111.7V210 L302P208-V210 PolarHBondContact O-N 2.92Å; P208-L302 HydrophobicContact CG-CD2 3.58Å
209Y91.3Very high95.5Very high34 Ų3430.8 Ų30.813%0.13319%0.185CC..THydrogen-bonded Turntrans67.1-7.9178.5-36.1-67.9000116.6I148 E149 L150 F309I148-Y209 HydrophobicContact CG2-CG 4.48Å; E149-Y209 PolarHBondContact N-O 3.27Å; E149-Y209 CarbonylContact O-C 3.47Å; E149-Y209 VanDerWaalsContact O-CA 3.22Å; E149-Y209 WeakPolarHBondContact O-CA 3.41Å; L150-Y209 HydrophobicContact CD2-CD1 4.01Å; L150-Y209 HydrophobicContact CD2-CE1 3.8Å; L150-Y209 HydrophobicContact CG-CE1 4.5Å; Y209-F309 HydrophobicContact CD2-CB 3.85Å; Y209-F309 HydrophobicContact CE2-CB 4.4Å
210V93.4Very high95.5Very high21 Ų2130.9 Ų30.913%0.12719%0.185CC..  trans-131.733.9173.7-64.90000110.8I148 F207 P208 L212 Y213 A214 F309I148-V210 HydrophobicContact CG1-CG1 4.01Å; F207-V210 HydrophobicContact CB-CG2 3.46Å; F207-V210 VanDerWaalsContact CB-CG2 3.46Å; F207-V210 HydrophobicContact CG-CG2 4.39Å; P208-V210 PolarHBondContact O-N 2.92Å; V210-L212 PolarHBondContact O-N 2.9Å; V210-Y213 PolarHBondContact O-N 3.24Å; V210-A214 VanDerWaalsContact O-CB 3.29Å; V210-A214 WeakPolarHBondContact O-CB 3.47Å; V210-A214 PolarHBondContact O-N 3.45Å; V210-F309 HydrophobicContact CG1-CD1 4.34Å; V210-F309 HydrophobicContact CG1-CE1 3.85Å; V210-F309 HydrophobicContact CG2-CE1 4.09Å
211S94.3Very high95.5Very high47 Ų4730.7 Ų30.733%0.32918%0.183SC..Hα-helixtrans-55.9-46.2-171.255.60000113.2S215S211-S215 WeakPolarHBondContact O-CB 3.39Å; S211-S215 PolarHBondContact O-N 3.49Å; S211-S215 PolarHBondContact O-OG 3.21Å
212L96.7Very high95.6Very high27 Ų2736 Ų3614%0.14121%0.208CC..Hα-helixtrans-71.5-43.1-180-174.953.3000111.5L146 I163 I166 I167 V210 A214 S215 T216L146-L212 HydrophobicContact CD1-CD2 4.01Å; I163-L212 HydrophobicContact CB-CD2 4.2Å; I163-L212 HydrophobicContact CG1-CD2 3.84Å; I163-L212 HydrophobicContact CG2-CD2 4.17Å; I166-L212 HydrophobicContact CG2-CD2 3.4Å; I166-L212 HydrophobicContact CG2-CG 3.7Å; I167-L212 HydrophobicContact CG1-CD1 4.48Å; V210-L212 PolarHBondContact O-N 2.9Å; L212-A214 PolarHBondContact O-N 2.85Å; L212-S215 WeakPolarHBondContact O-CB 3.1Å; L212-S215 PolarHBondContact O-N 3.26Å; L212-T216 HydrophobicContact CD1-CG2 4.45Å; L212-T216 VanDerWaalsContact O-CG2 3.3Å; L212-T216 WeakPolarHBondContact O-CG2 2.84Å; L212-T216 PolarHBondContact O-N 3.43Å
213Y97.6Very high95.7Very high39 Ų3938 Ų3815%0.15322%0.215CC..Hα-helixtrans-57.7-50.6173.6176.8-94.8000111.7M144 I166 T202 V210 S215 T216 K217M144-Y213 VanDerWaalsContact O-CD2 3.24Å; M144-Y213 WeakPolarHBondContact O-CD2 3.46Å; M144-Y213 WeakPolarHBondContact O-CE2 3.39Å; I166-Y213 HydrophobicContact CD1-CD2 4.26Å; T202-Y213 HydrophobicContact CG2-CE1 4.49Å; T202-Y213 WeakPolarHBondContact OG1-CE1 3.21Å; V210-Y213 PolarHBondContact O-N 3.24Å; Y213-S215 VanDerWaalsContact C-N 3.31Å; Y213-S215 PolarHBondContact O-N 3.47Å; Y213-T216 PolarHBondContact O-N 2.95Å; Y213-T216 PolarHBondContact O-OG1 3.24Å; Y213-K217 HydrophobicContact CD1-CG 4.41Å; Y213-K217 HydrophobicContact CE1-CG 3.94Å; Y213-K217 HydrophobicContact CE2-CG 4.35Å; Y213-K217 PolarHBondContact O-N 3.49Å; Y213-K217 WeakPolarHBondContact OH-CE 3.48Å
214A97.4Very high95.8Very high11 Ų1137.2 Ų37.29%0.09121%0.207CC..Hα-helixtrans-55.3-45.4175.900000111.8T202 V210 L212 T216 K217 A218T202-A214 WeakPolarHBondContact O-CB 3.3Å; V210-A214 VanDerWaalsContact O-CB 3.29Å; V210-A214 WeakPolarHBondContact O-CB 3.47Å; V210-A214 PolarHBondContact O-N 3.45Å; L212-A214 PolarHBondContact O-N 2.85Å; A214-T216 PolarHBondContact O-N 2.89Å; A214-K217 PolarHBondContact O-N 2.89Å; A214-A218 PolarHBondContact O-N 3.3Å
215S98.2Very high96.1Very high72 Ų7239 Ų3950%0.50321%0.211SC..Hα-helixtrans-60.8-43.8176.8-60.50000112.6S211 L212 Y213 K217 A218 A219S211-S215 WeakPolarHBondContact O-CB 3.39Å; S211-S215 PolarHBondContact O-N 3.49Å; S211-S215 PolarHBondContact O-OG 3.21Å; L212-S215 WeakPolarHBondContact O-CB 3.1Å; L212-S215 PolarHBondContact O-N 3.26Å; Y213-S215 VanDerWaalsContact C-N 3.31Å; Y213-S215 PolarHBondContact O-N 3.47Å; S215-K217 VanDerWaalsContact C-N 3.32Å; S215-K217 PolarHBondContact O-N 3.38Å; S215-A218 WeakPolarHBondContact O-CB 3.29Å; S215-A218 PolarHBondContact O-N 3.09Å; S215-A219 PolarHBondContact O-N 3.19Å
216T98.6Very high96.5Very high1 Ų139.9 Ų39.91%0.00622%0.222CC..Hα-helixtrans-63.2-39.4177.165.70000112I166 N170 I171 L212 Y213 A214 A219 I220I166-T216 HydrophobicContact CG1-CG2 4.33Å; N170-T216 HydrophobicContact CB-CG2 4.22Å; N170-T216 PolarHBondContact ND2-OG1 3.1Å; I171-T216 HydrophobicContact CD1-CG2 3.9Å; I171-T216 HydrophobicContact CG1-CG2 3.94Å; L212-T216 HydrophobicContact CD1-CG2 4.45Å; L212-T216 VanDerWaalsContact O-CG2 3.3Å; L212-T216 WeakPolarHBondContact O-CG2 2.84Å; L212-T216 PolarHBondContact O-N 3.43Å; Y213-T216 PolarHBondContact O-N 2.95Å; Y213-T216 PolarHBondContact O-OG1 3.24Å; A214-T216 PolarHBondContact O-N 2.89Å; T216-A219 WeakPolarHBondContact O-CB 3.47Å; T216-A219 PolarHBondContact O-N 2.88Å; T216-I220 WeakPolarHBondContact O-CG1 3.37Å; T216-I220 PolarHBondContact O-N 2.97Å
217K98.6Very high96.8Very high8 Ų836.5 Ų36.54%0.03520%0.201CC..Hα-helixtrans-70.4-35.9176.7-64.4-55.3-164.5179.20112L198 Y213 A214 S215 A219 I220 I221L198-K217 PolarHBondContact O-NZ 3.36Å; Y213-K217 HydrophobicContact CD1-CG 4.41Å; Y213-K217 HydrophobicContact CE1-CG 3.94Å; Y213-K217 HydrophobicContact CE2-CG 4.35Å; Y213-K217 PolarHBondContact O-N 3.49Å; Y213-K217 WeakPolarHBondContact OH-CE 3.48Å; A214-K217 PolarHBondContact O-N 2.89Å; S215-K217 VanDerWaalsContact C-N 3.32Å; S215-K217 PolarHBondContact O-N 3.38Å; K217-A219 VanDerWaalsContact C-N 3.35Å; K217-I220 HydrophobicContact CD-CD1 3.92Å; K217-I220 PolarHBondContact O-N 3.47Å; K217-I221 VanDerWaalsContact O-CD1 3.29Å; K217-I221 WeakPolarHBondContact O-CD1 3.27Å; K217-I221 WeakPolarHBondContact O-CG1 3.26Å; K217-I221 PolarHBondContact O-N 2.94Å
218A98.6Very high97Very high38 Ų3836.1 Ų36.131%0.31420%0.201SC..Hα-helixtrans-61.1-42.417100000112G203 A214 S215 I221 H222G203-A218 WeakPolarHBondContact O-CB 3.29Å; A214-A218 PolarHBondContact O-N 3.3Å; S215-A218 WeakPolarHBondContact O-CB 3.29Å; S215-A218 PolarHBondContact O-N 3.09Å; A218-I221 PolarHBondContact O-N 3.47Å; A218-H222 PolarHBondContact O-N 2.88Å
219A98.7Very high97.3Very high38 Ų3837.7 Ų37.731%0.31422%0.217SC..Hα-helixtrans-60.8-47.3175.300000111.8I171 S215 T216 K217 I221 H222 F223I171-A219 HydrophobicContact CD1-CB 3.88Å; I171-A219 HydrophobicContact CG1-CB 4.26Å; S215-A219 PolarHBondContact O-N 3.19Å; T216-A219 WeakPolarHBondContact O-CB 3.47Å; T216-A219 PolarHBondContact O-N 2.88Å; K217-A219 VanDerWaalsContact C-N 3.35Å; A219-I221 VanDerWaalsContact C-N 3.34Å; A219-I221 PolarHBondContact O-N 3.37Å; A219-H222 PolarHBondContact O-N 3.42Å; A219-F223 VanDerWaalsContact O-CB 3.31Å; A219-F223 WeakPolarHBondContact O-CB 3.32Å; A219-F223 PolarHBondContact O-N 2.73Å
220I98.8Very high97.5Very high3 Ų342.2 Ų42.22%0.01524%0.239CC..Hα-helixtrans-57.7-46.1175.5-69.3169.1000111.2N170 T174 N197 T216 K217 H222 S224N170-I220 HydrophobicContact CB-CD1 4.48Å; N170-I220 VanDerWaalsContact O-CD1 3.27Å; N170-I220 WeakPolarHBondContact O-CD1 3.37Å; T174-I220 HydrophobicContact CG2-CG1 4.34Å; T174-I220 HydrophobicContact CG2-CG2 4.19Å; N197-I220 HydrophobicContact CB-CG2 4.09Å; T216-I220 WeakPolarHBondContact O-CG1 3.37Å; T216-I220 PolarHBondContact O-N 2.97Å; K217-I220 HydrophobicContact CD-CD1 3.92Å; K217-I220 PolarHBondContact O-N 3.47Å; I220-H222 PolarHBondContact O-N 3.28Å; I220-S224 VanDerWaalsContact O-CB 3.29Å; I220-S224 WeakPolarHBondContact O-CB 3.31Å; I220-S224 PolarHBondContact O-N 3.5Å; I220-S224 PolarHBondContact O-OG 2.95Å
221I98.7Very high97.5Very high6 Ų641.8 Ų41.83%0.03124%0.236CC..Hα-helixtrans-59.4-49178.9-70.9158.2000110.4F204 K217 A218 A219 S224 R225 I240 N242F204-I221 HydrophobicContact CD2-CD1 4.32Å; F204-I221 HydrophobicContact CE1-CD1 4.02Å; F204-I221 HydrophobicContact CE1-CG2 3.66Å; F204-I221 HydrophobicContact CE2-CD1 3.81Å; F204-I221 HydrophobicContact CZ-CD1 3.58Å; F204-I221 HydrophobicContact CZ-CG1 4.09Å; F204-I221 HydrophobicContact CZ-CG2 3.74Å; K217-I221 VanDerWaalsContact O-CD1 3.29Å; K217-I221 WeakPolarHBondContact O-CD1 3.27Å; K217-I221 WeakPolarHBondContact O-CG1 3.26Å; K217-I221 PolarHBondContact O-N 2.94Å; A218-I221 PolarHBondContact O-N 3.47Å; A219-I221 VanDerWaalsContact C-N 3.34Å; A219-I221 PolarHBondContact O-N 3.37Å; I221-S224 PolarHBondContact O-N 3.34Å; I221-R225 VanDerWaalsContact O-CG 3.3Å; I221-R225 WeakPolarHBondContact O-CG 3.45Å; I221-R225 PolarHBondContact O-N 3.32Å; I221-I240 HydrophobicContact CG1-CG2 4.04Å; I221-N242 VanDerWaalsContact CD1-OD1 3.29Å; I221-N242 WeakPolarHBondContact CD1-OD1 3.26Å; I221-N242 VanDerWaalsContact CG1-OD1 3.25Å; I221-N242 WeakPolarHBondContact CG1-OD1 3.47Å
222H98.6Very high97.1Very high121 Ų12148.4 Ų48.456%0.5626%0.255SS*.Hα-helixtrans-68.4-45.7-176.8-166.159.9000112.1A218 A219 I220 S224 R225 C226A218-H222 PolarHBondContact O-N 2.88Å; A219-H222 PolarHBondContact O-N 3.42Å; I220-H222 PolarHBondContact O-N 3.28Å; H222-S224 VanDerWaalsContact C-N 3.27Å; H222-S224 PolarHBondContact O-N 2.81Å; H222-R225 PolarHBondContact O-N 3.41Å; H222-R225 VanDerWaalsContact O-N 3.12Å; H222-C226 PolarHBondContact O-N 3.1Å; H222-C226 PolarHBondContact O-SG 2.88Å; H222-C226 VanDerWaalsContact O-SG 3.37Å
223F98.7Very high96.5Very high58 Ų5855.6 Ų55.625%0.25429%0.288SS..Hα-helixtrans-50.8-48.8172.3167.7-108.2000111.4T174 V175 T178 A219 R225 C226 L227T174-F223 HydrophobicContact CG2-CD1 4.28Å; T174-F223 HydrophobicContact CG2-CE1 4.3Å; V175-F223 HydrophobicContact CB-CZ 4.44Å; V175-F223 HydrophobicContact CG1-CE2 4.27Å; V175-F223 HydrophobicContact CG1-CZ 4.35Å; V175-F223 HydrophobicContact CG2-CD1 4.18Å; V175-F223 HydrophobicContact CG2-CD2 4.16Å; V175-F223 HydrophobicContact CG2-CE1 4.18Å; V175-F223 HydrophobicContact CG2-CE2 4.16Å; V175-F223 HydrophobicContact CG2-CG 4.17Å; V175-F223 HydrophobicContact CG2-CZ 4.16Å; T178-F223 HydrophobicContact CG2-CE1 4.27Å; T178-F223 HydrophobicContact CG2-CZ 3.99Å; A219-F223 VanDerWaalsContact O-CB 3.31Å; A219-F223 WeakPolarHBondContact O-CB 3.32Å; A219-F223 PolarHBondContact O-N 2.73Å; F223-R225 VanDerWaalsContact C-N 3.35Å; F223-R225 PolarHBondContact O-N 3.48Å; F223-C226 PolarHBondContact O-N 3.26Å; F223-L227 HydrophobicContact CE1-CD2 4.27Å; F223-L227 HydrophobicContact CZ-CD2 4.1Å; F223-L227 WeakPolarHBondContact O-CB 3.25Å; F223-L227 PolarHBondContact O-N 2.98Å
224S98.6Very high95.9Very high0 Ų059.2 Ų59.20%031%0.305CS..Hα-helixtrans-65.2-37.2-178.8-54.60000112.7N197 I220 I221 H222 A228 I238N197-S224 WeakPolarHBondContact CB-OG 3.48Å; N197-S224 PolarHBondContact ND2-OG 3.44Å; I220-S224 VanDerWaalsContact O-CB 3.29Å; I220-S224 WeakPolarHBondContact O-CB 3.31Å; I220-S224 PolarHBondContact O-N 3.5Å; I220-S224 PolarHBondContact O-OG 2.95Å; I221-S224 PolarHBondContact O-N 3.34Å; H222-S224 VanDerWaalsContact C-N 3.27Å; H222-S224 PolarHBondContact O-N 2.81Å; S224-A228 WeakPolarHBondContact O-CB 3.47Å; S224-A228 PolarHBondContact O-N 3.39Å; S224-I238 WeakPolarHBondContact O-CG2 3.48Å
225R98.2Very high95.4Very high121 Ų12164 Ų6446%0.45733%0.329SS..Hα-helixtrans-66.2-41.9176.9-72.7170.771171.11.2111.7I221 H222 F223 A228 A229 I240I221-R225 VanDerWaalsContact O-CG 3.3Å; I221-R225 WeakPolarHBondContact O-CG 3.45Å; I221-R225 PolarHBondContact O-N 3.32Å; H222-R225 PolarHBondContact O-N 3.41Å; H222-R225 VanDerWaalsContact O-N 3.12Å; F223-R225 VanDerWaalsContact C-N 3.35Å; F223-R225 PolarHBondContact O-N 3.48Å; R225-A228 PolarHBondContact O-N 3.05Å; R225-A229 PolarHBondContact O-N 2.89Å; R225-I240 HydrophobicContact CG-CD1 4.37Å
226C98.3Very high95.2Very high54 Ų5461.3 Ų61.337%0.36531%0.308SS..Hα-helixtrans-63-50.7175.3-63.80000110.7H222 F223 A228 A229 E230H222-C226 PolarHBondContact O-N 3.1Å; H222-C226 PolarHBondContact O-SG 2.88Å; H222-C226 VanDerWaalsContact O-SG 3.37Å; F223-C226 PolarHBondContact O-N 3.26Å; C226-A228 VanDerWaalsContact C-N 3.28Å; C226-A228 PolarHBondContact O-N 3.04Å; C226-A229 WeakPolarHBondContact O-CB 3.32Å; C226-A229 PolarHBondContact O-N 3.18Å; C226-E230 PolarHBondContact O-N 2.89Å; C226-E230 VanDerWaalsContact O-N 3.14Å
227L97.6Very high95.1Very high12 Ų1262.4 Ų62.46%0.06331%0.313CS..Hα-helixtrans-59-40.7178.6-176.162.3000112.2T178 L182 F223 A229 E230 M231 I238T178-L227 HydrophobicContact CG2-CD2 3.53Å; L182-L227 HydrophobicContact CD2-CD1 3.85Å; L182-L227 HydrophobicContact CD2-CD2 4.42Å; F223-L227 HydrophobicContact CE1-CD2 4.27Å; F223-L227 HydrophobicContact CZ-CD2 4.1Å; F223-L227 WeakPolarHBondContact O-CB 3.25Å; F223-L227 PolarHBondContact O-N 2.98Å; L227-A229 VanDerWaalsContact C-N 3.29Å; L227-A229 PolarHBondContact O-N 3.48Å; L227-E230 PolarHBondContact O-N 3.4Å; L227-M231 HydrophobicContact CD1-CE 4.32Å; L227-M231 HydrophobicContact CD1-CG 4.16Å; L227-M231 HydrophobicContact CG-CG 4.3Å; L227-M231 WeakPolarHBondContact O-CB 3.26Å; L227-M231 VanDerWaalsContact O-CG 3.26Å; L227-M231 WeakPolarHBondContact O-CG 3.44Å; L227-M231 PolarHBondContact O-N 3.02Å; L227-I238 HydrophobicContact CD2-CD1 3.72Å; L227-I238 HydrophobicContact CD2-CG1 4.39Å; L227-I238 HydrophobicContact CG-CD1 3.96Å; L227-I238 HydrophobicContact CG-CG1 4.15Å
228A97Very high95.1Very high10 Ų1062.4 Ų62.48%0.08331%0.314CS..Hα-helixtrans-62.6-34.5176.700000113.2S224 R225 C226 M231 Y232 I238 Q278S224-A228 WeakPolarHBondContact O-CB 3.47Å; S224-A228 PolarHBondContact O-N 3.39Å; R225-A228 PolarHBondContact O-N 3.05Å; C226-A228 VanDerWaalsContact C-N 3.28Å; C226-A228 PolarHBondContact O-N 3.04Å; A228-M231 PolarHBondContact O-N 3.45Å; A228-Y232 PolarHBondContact O-N 3.42Å; A228-Y232 VanDerWaalsContact O-N 3.16Å; A228-I238 HydrophobicContact CB-CB 3.57Å; A228-I238 HydrophobicContact CB-CG1 4.19Å; A228-I238 HydrophobicContact CB-CG2 3.81Å; A228-Q278 HydrophobicContact CB-CG 4.04Å
229A96.3Very high95.1Very high71 Ų7160.7 Ų60.759%0.58730%0.299SS*.Hα-helixtrans-68.4-40.2175.400000111.4R225 C226 L227 M231 Y232R225-A229 PolarHBondContact O-N 2.89Å; C226-A229 WeakPolarHBondContact O-CB 3.32Å; C226-A229 PolarHBondContact O-N 3.18Å; L227-A229 VanDerWaalsContact C-N 3.29Å; L227-A229 PolarHBondContact O-N 3.48Å; A229-M231 VanDerWaalsContact C-N 3.33Å; A229-M231 PolarHBondContact O-N 3.38Å; A229-Y232 WeakPolarHBondContact O-CB 3.14Å; A229-Y232 PolarHBondContact O-N 3.36Å
230E95.6Very high95.1Very high128 Ų12858.9 Ų58.960%0.59828%0.284SS*.Hα-helixtrans-65.9-35.4175.4-64.7170.9-158.900112.3C226 L227C226-E230 PolarHBondContact O-N 2.89Å; C226-E230 VanDerWaalsContact O-N 3.14Å; L227-E230 PolarHBondContact O-N 3.4Å
231M92.3Very high95.1Very high12 Ų1258.7 Ų58.76%0.05928%0.284CS..Hα-helixtrans-87.5-4.1-177.4-64.2-53.5103.200114.1L182 L186 L227 A228 A229 Q233 K234 F236 I238L182-M231 HydrophobicContact CD1-SD 4.38Å; L182-M231 HydrophobicContact CD2-SD 4.37Å; L186-M231 HydrophobicContact CD1-SD 4.1Å; L186-M231 HydrophobicContact CD2-SD 4.05Å; L227-M231 HydrophobicContact CD1-CE 4.32Å; L227-M231 HydrophobicContact CD1-CG 4.16Å; L227-M231 HydrophobicContact CG-CG 4.3Å; L227-M231 WeakPolarHBondContact O-CB 3.26Å; L227-M231 VanDerWaalsContact O-CG 3.26Å; L227-M231 WeakPolarHBondContact O-CG 3.44Å; L227-M231 PolarHBondContact O-N 3.02Å; A228-M231 PolarHBondContact O-N 3.45Å; A229-M231 VanDerWaalsContact C-N 3.33Å; A229-M231 PolarHBondContact O-N 3.38Å; M231-Q233 PolarHBondContact O-N 3.48Å; M231-Q233 VanDerWaalsContact O-N 3.08Å; M231-K234 HydrophobicContact CE-CD 4.44Å; M231-K234 PolarHBondContact O-N 3.42Å; M231-K234 HydrophobicContact SD-CD 3.92Å; M231-F236 HydrophobicContact CB-CB 4.27Å; M231-F236 HydrophobicContact CB-CD1 4.35Å; M231-F236 HydrophobicContact CG-CD1 4.32Å; M231-I238 HydrophobicContact CB-CG1 4.23Å; M231-I238 HydrophobicContact CG-CG1 4.2Å
232Y85.1Confident95Very high187 Ų18758.5 Ų58.573%0.73328%0.283SS*.THydrogen-bonded Turntrans-52.9-37.1-171.8177.5-105.7000114.1A228 A229A228-Y232 PolarHBondContact O-N 3.42Å; A228-Y232 VanDerWaalsContact O-N 3.16Å; A229-Y232 WeakPolarHBondContact O-CB 3.14Å; A229-Y232 PolarHBondContact O-N 3.36Å
233Q84.7Confident95Very high178 Ų17853.3 Ų53.383%0.83226%0.26SS*.THydrogen-bonded Turntrans-89.82.9-178.3-64.5-177-14.900114.3M231M231-Q233 PolarHBondContact O-N 3.48Å; M231-Q233 VanDerWaalsContact O-N 3.08Å
234K85.7Confident94.9Very high114 Ų11451.7 Ų51.750%0.49625%0.254SS..THydrogen-bonded Turntrans-103.214.2-171.5-60.7-163.6-179-176.30114.8L186 M231 F236L186-K234 HydrophobicContact CD1-CD 4.47Å; L186-K234 HydrophobicContact CD2-CB 4.38Å; L186-K234 HydrophobicContact CD2-CD 3.79Å; M231-K234 HydrophobicContact CE-CD 4.44Å; M231-K234 PolarHBondContact O-N 3.42Å; M231-K234 HydrophobicContact SD-CD 3.92Å; K234-F236 HydrophobicContact CB-CB 4.21Å; K234-F236 PolarHBondContact O-N 3.12Å; K234-F236 VanDerWaalsContact O-N 3.09Å
235N86.6Confident94.8Very high112 Ų11254.6 Ų54.660%0.59927%0.266SS*.THydrogen-bonded Turntrans50.332.3-172.3-66.3-41.6000113Y192Y192-N235 WeakPolarHBondContact CA-O 3.29Å; Y192-N235 PolarHBondContact N-O 2.83Å
236F94.7Very high94.8Very high16 Ų1649 Ų497%0.0725%0.245CC..  trans-114.8135.1-174-166.2-81.5000109.6L182 M185 L186 P193 I195 M231 K234 I238L182-F236 HydrophobicContact CD1-CD1 4.35Å; L182-F236 HydrophobicContact CD1-CD2 4.4Å; L182-F236 HydrophobicContact CD1-CE1 3.71Å; L182-F236 HydrophobicContact CD1-CE2 3.76Å; L182-F236 HydrophobicContact CD1-CZ 3.37Å; M185-F236 HydrophobicContact CB-CE2 3.59Å; M185-F236 HydrophobicContact CB-CZ 4.16Å; M185-F236 HydrophobicContact CE-CE2 3.77Å; M185-F236 HydrophobicContact CE-CZ 3.61Å; M185-F236 HydrophobicContact CG-CE2 4.49Å; M185-F236 HydrophobicContact SD-CE2 4.18Å; M185-F236 HydrophobicContact SD-CZ 3.84Å; L186-F236 HydrophobicContact CD2-CD2 3.82Å; L186-F236 HydrophobicContact CD2-CE2 4.33Å; L186-F236 HydrophobicContact CD2-CG 4.32Å; P193-F236 HydrophobicContact CB-CD2 4.45Å; P193-F236 HydrophobicContact CB-CE2 4.21Å; P193-F236 HydrophobicContact CG-CD2 3.81Å; P193-F236 HydrophobicContact CG-CE2 4.01Å; I195-F236 HydrophobicContact CB-CE1 4.5Å; I195-F236 HydrophobicContact CD1-CE1 4.15Å; I195-F236 HydrophobicContact CD1-CZ 4.14Å; I195-F236 HydrophobicContact CG1-CE1 3.83Å; I195-F236 HydrophobicContact CG1-CZ 3.83Å; M231-F236 HydrophobicContact CB-CB 4.27Å; M231-F236 HydrophobicContact CB-CD1 4.35Å; M231-F236 HydrophobicContact CG-CD1 4.32Å; K234-F236 HydrophobicContact CB-CB 4.21Å; K234-F236 PolarHBondContact O-N 3.12Å; K234-F236 VanDerWaalsContact O-N 3.09Å; F236-I238 HydrophobicContact CD1-CD1 3.76Å; F236-I238 HydrophobicContact CD1-CG1 4.09Å; F236-I238 HydrophobicContact CE1-CD1 3.45Å; F236-I238 VanDerWaalsContact CE1-CD1 3.45Å; F236-I238 HydrophobicContact CE1-CG1 4.28Å
237I96.7Very high94.8Very high23 Ų2347.5 Ų47.512%0.11824%0.235CC..EExtended strand (participates in β ladder)trans-99.3119.6-176.5-65.1170.3000109.5K49 Y192 P193 G194 I195 Q239 Y274K49-I237 HydrophobicContact CB-CD1 4.08Å; K49-I237 HydrophobicContact CG-CD1 4.06Å; Y192-I237 HydrophobicContact CD1-CD1 4.41Å; P193-I237 PolarHBondContact O-N 3.19Å; G194-I237 CarbonylContact C-O 3.53Å; G194-I237 WeakPolarHBondContact CA-O 3.29Å; I195-I237 PolarHBondContact N-O 2.95Å; I237-Q239 HydrophobicContact CG2-CB 4.13Å; I237-Y274 HydrophobicContact CB-CE2 4.13Å; I237-Y274 HydrophobicContact CD1-CD1 4.23Å; I237-Y274 HydrophobicContact CD1-CE1 3.58Å; I237-Y274 HydrophobicContact CD1-CE2 4.45Å; I237-Y274 HydrophobicContact CG2-CD2 4.22Å; I237-Y274 HydrophobicContact CG2-CE2 3.72Å
238I98Very high94.7Very high9 Ų947.7 Ų47.75%0.04624%0.237CC..EExtended strand (participates in β ladder)trans-107.6117.2163.5-57.2-66.3000107.7I195 S224 L227 A228 M231 F236I195-I238 HydrophobicContact CB-CD1 3.9Å; I195-I238 HydrophobicContact CD1-CD1 4.12Å; I195-I238 HydrophobicContact CG1-CD1 4.19Å; S224-I238 WeakPolarHBondContact O-CG2 3.48Å; L227-I238 HydrophobicContact CD2-CD1 3.72Å; L227-I238 HydrophobicContact CD2-CG1 4.39Å; L227-I238 HydrophobicContact CG-CD1 3.96Å; L227-I238 HydrophobicContact CG-CG1 4.15Å; A228-I238 HydrophobicContact CB-CB 3.57Å; A228-I238 HydrophobicContact CB-CG1 4.19Å; A228-I238 HydrophobicContact CB-CG2 3.81Å; M231-I238 HydrophobicContact CB-CG1 4.23Å; M231-I238 HydrophobicContact CG-CG1 4.2Å; F236-I238 HydrophobicContact CD1-CD1 3.76Å; F236-I238 HydrophobicContact CD1-CG1 4.09Å; F236-I238 HydrophobicContact CE1-CD1 3.45Å; F236-I238 VanDerWaalsContact CE1-CD1 3.45Å; F236-I238 HydrophobicContact CE1-CG1 4.28Å
239Q97.9Very high94.5Very high1 Ų151.7 Ų51.71%0.00526%0.257CS..EExtended strand (participates in β ladder)trans-121.5126.9-172.1-178.3676700109.9I195 I196 N197 I237 M241 T277 Q278I195-Q239 PolarHBondContact O-N 3.02Å; I196-Q239 CarbonylContact C-O 3.37Å; I196-Q239 WeakPolarHBondContact CA-O 3.27Å; I196-Q239 HydrophobicContact CG1-CB 4.27Å; N197-Q239 PolarHBondContact N-O 3.16Å; I237-Q239 HydrophobicContact CG2-CB 4.13Å; Q239-M241 HydrophobicContact CG-CE 3.36Å; Q239-M241 HydrophobicContact CG-CG 4.49Å; Q239-M241 HydrophobicContact CG-SD 4.03Å; Q239-T277 PolarHBondContact NE2-O 2.97Å; Q239-T277 PolarHBondContact OE1-O 2.86Å; Q239-Q278 PolarHBondContact NE2-O 2.72Å
240I98.5Very high94.3Very high0 Ų052.3 Ų52.30%025%0.25CS..EExtended strand (participates in β ladder)trans-107126.8175.9-51.489.1000109.3I221 R225 N242 Q278 Q279 I280I221-I240 HydrophobicContact CG1-CG2 4.04Å; R225-I240 HydrophobicContact CG-CD1 4.37Å; I240-N242 WeakPolarHBondContact CG2-ND2 3.01Å; I240-Q278 HydrophobicContact CD1-CG 3.8Å; I240-Q278 VanDerWaalsContact CD1-O 3.26Å; I240-Q278 WeakPolarHBondContact CD1-O 3.3Å; I240-Q278 PolarHBondContact N-O 3.12Å; I240-Q279 HydrophobicContact CB-CB 4.36Å; I240-Q279 HydrophobicContact CB-CG 4.1Å; I240-Q279 HydrophobicContact CD1-CB 4.43Å; I240-Q279 HydrophobicContact CG2-CG 4.41Å; I240-Q279 WeakPolarHBondContact O-CA 3.48Å; I240-I280 PolarHBondContact O-N 3.08Å
241M98.6Very high94Very high0 Ų047.4 Ų47.40%023%0.229CC..EExtended strand (participates in β ladder)trans-112.8126.7175.6-58-58.2-168.300109.9I196 N197 L198 G199 Q239 P243 S270 I280I196-M241 HydrophobicContact CG2-CE 4.36Å; I196-M241 HydrophobicContact CG2-CG 3.69Å; N197-M241 PolarHBondContact O-N 2.55Å; L198-M241 HydrophobicContact CD1-CB 4.03Å; G199-M241 CarbonylContact C-O 3.55Å; G199-M241 WeakPolarHBondContact CA-O 3.39Å; G199-M241 PolarHBondContact N-O 3.4Å; Q239-M241 HydrophobicContact CG-CE 3.36Å; Q239-M241 HydrophobicContact CG-CG 4.49Å; Q239-M241 HydrophobicContact CG-SD 4.03Å; M241-P243 VanDerWaalsContact C-CD 3.48Å; M241-P243 VanDerWaalsContact O-CD 3.28Å; M241-P243 WeakPolarHBondContact O-CD 3.12Å; M241-S270 WeakPolarHBondContact CE-O 3.26Å; M241-S270 VanDerWaalsContact CE-OG 3.29Å; M241-S270 WeakPolarHBondContact CE-OG 3.46Å; M241-S270 VanDerWaalsContact CG-OG 3.32Å; M241-S270 WeakPolarHBondContact CG-OG 3.22Å; M241-S270 PolarHBondContact SD-OG 3.38Å; M241-I280 CarbonylContact C-O 3.46Å; M241-I280 WeakPolarHBondContact CA-O 3.5Å; M241-I280 HydrophobicContact CE-CG2 4.48Å; M241-I280 HydrophobicContact SD-CG2 3.48Å; M241-I280 WeakPolarHBondContact SD-CG2 3.34Å
242N98.2Very high93.9Very high2 Ų254.6 Ų54.61%0.01126%0.262CS..  trans-12472.1-171.5-58.2-74000111.1S200 F204 I221 I240 Q279 I280 T281S200-N242 PolarHBondContact N-OD1 3.34Å; F204-N242 HydrophobicContact CD2-CB 4.48Å; F204-N242 HydrophobicContact CE2-CB 3.63Å; F204-N242 HydrophobicContact CZ-CB 4.48Å; I221-N242 VanDerWaalsContact CD1-OD1 3.29Å; I221-N242 WeakPolarHBondContact CD1-OD1 3.26Å; I221-N242 VanDerWaalsContact CG1-OD1 3.25Å; I221-N242 WeakPolarHBondContact CG1-OD1 3.47Å; I240-N242 WeakPolarHBondContact CG2-ND2 3.01Å; N242-Q279 VanDerWaalsContact ND2-CG 3.29Å; N242-Q279 WeakPolarHBondContact ND2-CG 3.44Å; N242-I280 PolarHBondContact N-O 3.41Å; N242-I280 PolarHBondContact ND2-O 2.79Å; N242-T281 VanDerWaalsContact O-CA 3.3Å; N242-T281 WeakPolarHBondContact O-CA 3.38Å; N242-T281 WeakPolarHBondContact O-CB 3.09Å; N242-T281 WeakPolarHBondContact O-CG2 3.14Å
243P98.2Very high94.1Very high12 Ų1252 Ų528%0.07826%0.257CS..  trans-61.9154-17724.5-31.3000111.9Y201 M241 V246 Y266Y201-P243 PolarHBondContact N-O 3.02Å; M241-P243 VanDerWaalsContact C-CD 3.48Å; M241-P243 VanDerWaalsContact O-CD 3.28Å; M241-P243 WeakPolarHBondContact O-CD 3.12Å; P243-V246 HydrophobicContact CB-CG2 3.95Å; P243-Y266 HydrophobicContact CB-CE1 4.42Å; P243-Y266 HydrophobicContact CB-CE2 3.68Å; P243-Y266 WeakPolarHBondContact CB-OH 3.47Å; P243-Y266 WeakPolarHBondContact CD-OH 3.03Å
244L96.6Very high94.4Very high24 Ų2445 Ų4513%0.12622%0.224CC..SBendtrans-87.3-155.8152.3-73.189.5000108.1Y201 V246 T281 H286 K289 A290 Y293Y201-L244 HydrophobicContact CD1-CD2 4.18Å; Y201-L244 HydrophobicContact CD1-CG 4.12Å; Y201-L244 HydrophobicContact CD2-CD1 4.41Å; Y201-L244 HydrophobicContact CG-CD1 4.06Å; Y201-L244 HydrophobicContact CG-CD2 4.48Å; Y201-L244 HydrophobicContact CG-CG 4.01Å; L244-V246 PolarHBondContact O-N 2.82Å; L244-T281 HydrophobicContact CD1-CG2 4.22Å; L244-H286 HydrophobicContact CD1-CB 3.57Å; L244-H286 WeakPolarHBondContact CD1-O 3.47Å; L244-H286 PolarHBondContact N-CE1 3.44Å; L244-H286 PolarHBondContact N-ND1 3.26Å; L244-K289 HydrophobicContact CD2-CB 4.25Å; L244-K289 HydrophobicContact CD2-CD 3.86Å; L244-K289 HydrophobicContact CD2-CG 3.85Å; L244-A290 HydrophobicContact CD1-CB 4.29Å; L244-Y293 HydrophobicContact CD2-CD2 4.07Å; L244-Y293 HydrophobicContact CD2-CE2 3.84Å
245F96Very high94.8Very high60 Ų6047.9 Ų47.926%0.26324%0.237SC..  trans-58.3125.2179.6-66-61.8000112.4T251 M254 I260 H286 F309F245-T251 HydrophobicContact CD1-CG2 4.18Å; F245-M254 HydrophobicContact CB-SD 3.9Å; F245-M254 HydrophobicContact CD1-SD 3.68Å; F245-M254 HydrophobicContact CD2-SD 4.41Å; F245-M254 HydrophobicContact CE1-SD 4.29Å; F245-M254 HydrophobicContact CG-CE 4.43Å; F245-M254 HydrophobicContact CG-SD 3.75Å; F245-I260 HydrophobicContact CB-CD1 4.46Å; F245-I260 HydrophobicContact CB-CG1 4.14Å; F245-I260 HydrophobicContact CB-CG2 4.34Å; F245-H286 PolarHBondContact O-NE2 3.2Å; F245-F309 HydrophobicContact CZ-CE2 4.28Å; F245-F309 HydrophobicContact CZ-CZ 4.11Å
246V98Very high95.3Very high3 Ų345.8 Ų45.82%0.01823%0.229CC..  trans-121.3132.2170.7-179.60000107I69 P243 L244 T248 T251 P261 Y266I69-V246 HydrophobicContact CD1-CB 4.01Å; I69-V246 HydrophobicContact CD1-CG1 4.1Å; I69-V246 HydrophobicContact CD1-CG2 4.02Å; I69-V246 HydrophobicContact CG1-CB 4.42Å; I69-V246 HydrophobicContact CG1-CG1 3.96Å; P243-V246 HydrophobicContact CB-CG2 3.95Å; L244-V246 PolarHBondContact O-N 2.82Å; V246-T248 HydrophobicContact CB-CG2 4.39Å; V246-T248 HydrophobicContact CG1-CG2 4.02Å; V246-T248 PolarHBondContact O-N 2.94Å; V246-T248 PolarHBondContact O-OG1 2.91Å; V246-T251 WeakPolarHBondContact O-CG2 3.34Å; V246-T251 PolarHBondContact O-OG1 3.27Å; V246-P261 WeakPolarHBondContact CG1-O 3.39Å; V246-P261 HydrophobicContact CG2-CG 4.24Å; V246-Y266 HydrophobicContact CG1-CG 4.23Å; V246-Y266 HydrophobicContact CG2-CD1 4.26Å; V246-Y266 HydrophobicContact CG2-CD2 3.76Å; V246-Y266 HydrophobicContact CG2-CE2 4.27Å; V246-Y266 HydrophobicContact CG2-CG 3.76Å
247S97.3Very high95.4Very high23 Ų2348.4 Ų48.416%0.16125%0.247CC..BIsolated β-bridgetrans-63.3101.1-179.5172.50000110.6M254 P261S247-M254 VanDerWaalsContact CB-O 3.26Å; S247-M254 WeakPolarHBondContact CB-O 3.42Å; S247-M254 PolarHBondContact OG-O 2.74Å; S247-M254 VanDerWaalsContact OG-O 3.1Å; S247-P261 PolarHBondContact N-O 3.06Å
248T96.4Very high95.4Very high17 Ų1753 Ų5310%0.10427%0.266CS..SBendtrans-146.3173.3-178.560.10000110.6I69 V246 L250 T251 H252 Q253 A263I69-T248 HydrophobicContact CG1-CG2 4.05Å; V246-T248 HydrophobicContact CB-CG2 4.39Å; V246-T248 HydrophobicContact CG1-CG2 4.02Å; V246-T248 PolarHBondContact O-N 2.94Å; V246-T248 PolarHBondContact O-OG1 2.91Å; T248-L250 VanDerWaalsContact C-N 3.26Å; T248-L250 PolarHBondContact O-N 3.26Å; T248-T251 PolarHBondContact N-OG1 3.11Å; T248-T251 VanDerWaalsContact N-OG1 3.11Å; T248-T251 CarbonylContact O-C 3.51Å; T248-T251 PolarHBondContact O-N 3.31Å; T248-T251 VanDerWaalsContact O-N 3.12Å; T248-T251 PolarHBondContact O-OG1 2.8Å; T248-H252 PolarHBondContact O-N 2.91Å; T248-Q253 WeakPolarHBondContact O-CA 3.49Å; T248-Q253 PolarHBondContact O-N 3.35Å; T248-A263 HydrophobicContact CG2-CB 4.23Å
249N93.7Very high95.4Very high93 Ų9356.4 Ų56.450%0.49728%0.281SS..G310 helixtrans-59.4-36.7173.5-65.1-6.4000112.2T251 H252 Q253N249-T251 PolarHBondContact O-N 3.02Å; N249-H252 PolarHBondContact O-N 3.1Å; N249-Q253 PolarHBondContact OD1-NE2 3.45Å; N249-Q253 VanDerWaalsContact OD1-NE2 3.1Å
250L91.2Very high95.4Very high84 Ų8457.2 Ų57.244%0.4429%0.285SS..G310 helixtrans-59.6-29.7176.7-176.567.4000112.7T248T248-L250 VanDerWaalsContact C-N 3.26Å; T248-L250 PolarHBondContact O-N 3.26Å
251T90.2Very high95.4Very high26 Ų2657.4 Ų57.416%0.1629%0.286CS..G310 helixtrans-102.320.5177.564.90000111.9F245 V246 T248 N249 Q253 M254F245-T251 HydrophobicContact CD1-CG2 4.18Å; V246-T251 WeakPolarHBondContact O-CG2 3.34Å; V246-T251 PolarHBondContact O-OG1 3.27Å; T248-T251 PolarHBondContact N-OG1 3.11Å; T248-T251 VanDerWaalsContact N-OG1 3.11Å; T248-T251 CarbonylContact O-C 3.51Å; T248-T251 PolarHBondContact O-N 3.31Å; T248-T251 VanDerWaalsContact O-N 3.12Å; T248-T251 PolarHBondContact O-OG1 2.8Å; N249-T251 PolarHBondContact O-N 3.02Å; T251-Q253 PolarHBondContact O-N 3.1Å; T251-Q253 VanDerWaalsContact O-N 3.1Å; T251-M254 WeakPolarHBondContact O-CG 3.39Å; T251-M254 PolarHBondContact O-N 3.44Å
252H90.5Very high95.3Very high162 Ų16259.6 Ų59.675%0.7530%0.3SS*.THydrogen-bonded Turntrans5136.8-175.3-50.3-75.9000113.7T248 N249 M254T248-H252 PolarHBondContact O-N 2.91Å; N249-H252 PolarHBondContact O-N 3.1Å; H252-M254 VanDerWaalsContact C-N 3.35Å; H252-M254 PolarHBondContact O-N 3.43Å
253Q89Confident95.4Very high134 Ų13460 Ų6063%0.62630%0.304SS*.THydrogen-bonded Turntrans53.745.5178.1-57.1179.8-17.300113.6T248 N249 T251 K255T248-Q253 WeakPolarHBondContact O-CA 3.49Å; T248-Q253 PolarHBondContact O-N 3.35Å; N249-Q253 PolarHBondContact OD1-NE2 3.45Å; N249-Q253 VanDerWaalsContact OD1-NE2 3.1Å; T251-Q253 PolarHBondContact O-N 3.1Å; T251-Q253 VanDerWaalsContact O-N 3.1Å; Q253-K255 PolarHBondContact O-N 2.96Å
254M90.2Very high95.4Very high29 Ų2964.9 Ų64.914%0.14332%0.323CS..  trans-43.2133.9174-56.9-175.674.200111.6F245 S247 T251 H252 P256 I260 Y312F245-M254 HydrophobicContact CB-SD 3.9Å; F245-M254 HydrophobicContact CD1-SD 3.68Å; F245-M254 HydrophobicContact CD2-SD 4.41Å; F245-M254 HydrophobicContact CE1-SD 4.29Å; F245-M254 HydrophobicContact CG-CE 4.43Å; F245-M254 HydrophobicContact CG-SD 3.75Å; S247-M254 VanDerWaalsContact CB-O 3.26Å; S247-M254 WeakPolarHBondContact CB-O 3.42Å; S247-M254 PolarHBondContact OG-O 2.74Å; S247-M254 VanDerWaalsContact OG-O 3.1Å; T251-M254 WeakPolarHBondContact O-CG 3.39Å; T251-M254 PolarHBondContact O-N 3.44Å; H252-M254 VanDerWaalsContact C-N 3.35Å; H252-M254 PolarHBondContact O-N 3.43Å; M254-P256 WeakPolarHBondContact O-CD 3.32Å; M254-P256 VanDerWaalsContact O-N 3.16Å; M254-I260 HydrophobicContact CB-CD1 4.43Å; M254-I260 HydrophobicContact CB-CG2 4.2Å; M254-I260 HydrophobicContact CE-CD1 3.76Å; M254-I260 HydrophobicContact SD-CD1 4.3Å; M254-Y312 WeakPolarHBondContact CE-OH 3.4Å
255K94.8Very high95.5Very high176 Ų17667.8 Ų67.877%0.76534%0.338SS*.  trans-50.7124.3178.6-175.9177.2179.21780110.5Q253 T257Q253-K255 PolarHBondContact O-N 2.96Å; K255-T257 PolarHBondContact O-N 2.8Å
256P96.9Very high95.6Very high67 Ų6764.9 Ų64.944%0.43533%0.326SS..  trans-57.8136.7177.3-27.435.3000112.1M254 I260 T262M254-P256 WeakPolarHBondContact O-CD 3.32Å; M254-P256 VanDerWaalsContact O-N 3.16Å; P256-I260 CarbonylContact C-O 3.57Å; P256-I260 VanDerWaalsContact CA-O 3.27Å; P256-I260 WeakPolarHBondContact CA-O 3.42Å; P256-T262 HydrophobicContact CB-CG2 4.12Å; P256-T262 HydrophobicContact CG-CG2 3.81Å
257T97.2Very high95.6Very high72 Ų7264.8 Ų64.844%0.44233%0.325SS..BIsolated β-bridgetrans-140.3177.6175.468.70000109.5K255 F259 I260K255-T257 PolarHBondContact O-N 2.8Å; T257-F259 PolarHBondContact O-N 3.33Å; T257-F259 VanDerWaalsContact O-N 3.15Å; T257-F259 PolarHBondContact OG1-N 3.42Å; T257-I260 PolarHBondContact N-O 3.35Å; T257-I260 CarbonylContact O-C 3.57Å; T257-I260 VanDerWaalsContact O-C 3.29Å; T257-I260 PolarHBondContact O-N 3.33Å; T257-I260 WeakPolarHBondContact OG1-CG1 3.29Å; T257-I260 PolarHBondContact OG1-N 3.26Å
258F97Very high95.7Very high120 Ų12068.6 Ų68.653%0.52634%0.338SS..THydrogen-bonded Turntrans-54.8-31.7173.6-177.8-104.4000113.6Y283 P285F258-Y283 WeakPolarHBondContact O-CE1 3.06Å; F258-Y283 PolarHBondContact O-OH 3.47Å; F258-P285 HydrophobicContact CD1-CB 4.09Å; F258-P285 HydrophobicContact CD1-CG 4.34Å; F258-P285 HydrophobicContact CD2-CG 4.42Å; F258-P285 HydrophobicContact CE1-CB 3.75Å; F258-P285 HydrophobicContact CE1-CG 3.82Å; F258-P285 HydrophobicContact CE2-CG 3.91Å; F258-P285 HydrophobicContact CZ-CB 4.07Å; F258-P285 HydrophobicContact CZ-CG 3.59Å; F258-P285 VanDerWaalsContact O-CB 3.26Å; F258-P285 WeakPolarHBondContact O-CB 3.49Å
259F96.7Very high95.8Very high80 Ų8068.9 Ų68.935%0.35134%0.341SS..THydrogen-bonded Turntrans-102.62.3178.7-64.5-73.5000113.8T257 P285 H286 K289T257-F259 PolarHBondContact O-N 3.33Å; T257-F259 VanDerWaalsContact O-N 3.15Å; T257-F259 PolarHBondContact OG1-N 3.42Å; F259-P285 HydrophobicContact CD1-CB 3.91Å; F259-P285 WeakPolarHBondContact CD1-O 3.46Å; F259-P285 HydrophobicContact CE1-CB 4.26Å; F259-H286 PolarHBondContact O-CD2 3.17Å; F259-H286 PolarHBondContact O-NE2 3.12Å; F259-K289 HydrophobicContact CB-CD 4.03Å; F259-K289 HydrophobicContact CD1-CB 4.03Å; F259-K289 HydrophobicContact CD1-CD 3.94Å; F259-K289 HydrophobicContact CD1-CG 4.5Å; F259-K289 HydrophobicContact CE1-CB 4.24Å; F259-K289 HydrophobicContact CG-CD 4.12Å
260I97.4Very high96.1Very high18 Ų1864.4 Ų64.49%0.09232%0.317CS..BIsolated β-bridgetrans-133.283.8178.7-54.5177.5000107F245 M254 P256 T257F245-I260 HydrophobicContact CB-CD1 4.46Å; F245-I260 HydrophobicContact CB-CG1 4.14Å; F245-I260 HydrophobicContact CB-CG2 4.34Å; M254-I260 HydrophobicContact CB-CD1 4.43Å; M254-I260 HydrophobicContact CB-CG2 4.2Å; M254-I260 HydrophobicContact CE-CD1 3.76Å; M254-I260 HydrophobicContact SD-CD1 4.3Å; P256-I260 CarbonylContact C-O 3.57Å; P256-I260 VanDerWaalsContact CA-O 3.27Å; P256-I260 WeakPolarHBondContact CA-O 3.42Å; T257-I260 PolarHBondContact N-O 3.35Å; T257-I260 CarbonylContact O-C 3.57Å; T257-I260 VanDerWaalsContact O-C 3.29Å; T257-I260 PolarHBondContact O-N 3.33Å; T257-I260 WeakPolarHBondContact OG1-CG1 3.29Å; T257-I260 PolarHBondContact OG1-N 3.26Å
261P98.4Very high96.4Very high3 Ų360.4 Ų60.42%0.01930%0.297CS..  trans-68.9159.8179.430.6-35.9000111V246 S247 I265 Y266 Y283 H286V246-P261 WeakPolarHBondContact CG1-O 3.39Å; V246-P261 HydrophobicContact CG2-CG 4.24Å; S247-P261 PolarHBondContact N-O 3.06Å; P261-I265 HydrophobicContact CB-CB 4.03Å; P261-I265 HydrophobicContact CB-CG2 3.79Å; P261-Y266 HydrophobicContact CG-CD2 4.35Å; P261-Y283 HydrophobicContact CB-CD1 4.17Å; P261-Y283 HydrophobicContact CB-CE1 3.81Å; P261-Y283 HydrophobicContact CB-CE2 4.28Å; P261-Y283 HydrophobicContact CG-CD1 3.63Å; P261-Y283 HydrophobicContact CG-CE1 3.71Å; P261-Y283 HydrophobicContact CG-CG 4.11Å; P261-H286 VanDerWaalsContact CD-NE2 3.32Å; P261-H286 WeakPolarHBondContact CD-NE2 3.38Å
262T98.5Very high96.8Very high46 Ų4660.7 Ų60.728%0.28230%0.297SS..BIsolated β-bridgetrans-68.7159162.164.90000110P256 K264 I265 Y266P256-T262 HydrophobicContact CB-CG2 4.12Å; P256-T262 HydrophobicContact CG-CG2 3.81Å; T262-K264 PolarHBondContact O-N 3.49Å; T262-I265 PolarHBondContact O-N 3.18Å; T262-I265 WeakPolarHBondContact OG1-CG1 3.39Å; T262-I265 PolarHBondContact OG1-N 3.23Å; T262-Y266 WeakPolarHBondContact O-CB 3.45Å; T262-Y266 PolarHBondContact O-N 2.96Å
263A98.5Very high97.2Very high12 Ų1253 Ų5310%0.09926%0.261CS..Hα-helixtrans-52.5-39.9174.600000113.1G68 I69 A72 T248 Y266 A267G68-A263 VanDerWaalsContact O-CB 3.29Å; G68-A263 WeakPolarHBondContact O-CB 3.27Å; I69-A263 HydrophobicContact CG1-CB 4.5Å; A72-A263 HydrophobicContact CB-CB 3.98Å; A72-A263 WeakPolarHBondContact CB-O 3.47Å; T248-A263 HydrophobicContact CG2-CB 4.23Å; A263-Y266 PolarHBondContact O-N 3.37Å; A263-A267 VanDerWaalsContact O-CB 3.31Å; A263-A267 WeakPolarHBondContact O-CB 3.17Å; A263-A267 PolarHBondContact O-N 3.09Å
264K98.5Very high97.6Very high113 Ų11346.6 Ų46.649%0.49123%0.232SC..Hα-helixtrans-63.8-47.4177.8-66.3-170.7175.5-163.70112.8A72 E75 T262 Y266 K268A72-K264 HydrophobicContact CB-CG 4.32Å; E75-K264 IonicContact OE1-NZ 2.7Å; E75-K264 PolarHBondContact OE1-NZ 2.69Å; E75-K264 VanDerWaalsContact OE2-CE 3.31Å; E75-K264 WeakPolarHBondContact OE2-CE 3.27Å; E75-K264 IonicContact OE2-NZ 3.99Å; E75-K264 PolarHBondContact OE2-NZ 3.06Å; T262-K264 PolarHBondContact O-N 3.49Å; K264-Y266 VanDerWaalsContact C-N 3.3Å; K264-Y266 PolarHBondContact O-N 2.91Å; K264-K268 WeakPolarHBondContact O-CB 3.13Å; K264-K268 PolarHBondContact O-N 3.33Å; K264-K268 VanDerWaalsContact O-N 3.11Å
265I98.6Very high97.9Very high85 Ų8546.5 Ų46.544%0.43624%0.238SC..Hα-helixtrans-62.6-43.3177.2-68.8170.9000110P261 T262 S269 Y283P261-I265 HydrophobicContact CB-CB 4.03Å; P261-I265 HydrophobicContact CB-CG2 3.79Å; T262-I265 PolarHBondContact O-N 3.18Å; T262-I265 WeakPolarHBondContact OG1-CG1 3.39Å; T262-I265 PolarHBondContact OG1-N 3.23Å; I265-S269 WeakPolarHBondContact O-CB 3.5Å; I265-S269 PolarHBondContact O-N 3.24Å; I265-Y283 HydrophobicContact CG2-CD2 4.45Å; I265-Y283 HydrophobicContact CG2-CE2 3.73Å
266Y98.8Very high98Very high0 Ų039.3 Ų39.30%021%0.208CC..Hα-helixtrans-63.6-54.5179.1177.4-98.3000112.1I69 L198 P243 V246 P261 T262 A263 K264 K268 S269 S270 T281I69-Y266 HydrophobicContact CD1-CD1 3.9Å; I69-Y266 HydrophobicContact CD1-CE1 3.91Å; I69-Y266 HydrophobicContact CG1-CD1 3.87Å; I69-Y266 HydrophobicContact CG1-CE1 4.28Å; I69-Y266 HydrophobicContact CG2-CD1 3.96Å; I69-Y266 HydrophobicContact CG2-CE1 3.9Å; L198-Y266 HydrophobicContact CD1-CE1 4.3Å; P243-Y266 HydrophobicContact CB-CE1 4.42Å; P243-Y266 HydrophobicContact CB-CE2 3.68Å; P243-Y266 WeakPolarHBondContact CB-OH 3.47Å; P243-Y266 WeakPolarHBondContact CD-OH 3.03Å; V246-Y266 HydrophobicContact CG1-CG 4.23Å; V246-Y266 HydrophobicContact CG2-CD1 4.26Å; V246-Y266 HydrophobicContact CG2-CD2 3.76Å; V246-Y266 HydrophobicContact CG2-CE2 4.27Å; V246-Y266 HydrophobicContact CG2-CG 3.76Å; P261-Y266 HydrophobicContact CG-CD2 4.35Å; T262-Y266 WeakPolarHBondContact O-CB 3.45Å; T262-Y266 PolarHBondContact O-N 2.96Å; A263-Y266 PolarHBondContact O-N 3.37Å; K264-Y266 VanDerWaalsContact C-N 3.3Å; K264-Y266 PolarHBondContact O-N 2.91Å; Y266-K268 VanDerWaalsContact C-N 3.31Å; Y266-K268 PolarHBondContact O-N 2.95Å; Y266-S269 PolarHBondContact O-N 3.39Å; Y266-S270 WeakPolarHBondContact O-CB 3.48Å; Y266-S270 PolarHBondContact O-N 2.9Å; Y266-T281 VanDerWaalsContact CE2-O 3.31Å; Y266-T281 WeakPolarHBondContact CE2-O 3.23Å; Y266-T281 PolarHBondContact OH-O 2.93Å
267A98.8Very high97.9Very high0 Ų037.9 Ų37.90%020%0.199CC..Hα-helixtrans-59.5-42.4-177.200000111.6A72 Y73 E76 A263 S270 L271A72-A267 HydrophobicContact CB-CB 3.53Å; Y73-A267 HydrophobicContact CD2-CB 4.14Å; Y73-A267 HydrophobicContact CE2-CB 4.46Å; Y73-A267 HydrophobicContact CG-CB 4.24Å; E76-A267 HydrophobicContact CG-CB 4.26Å; A263-A267 VanDerWaalsContact O-CB 3.31Å; A263-A267 WeakPolarHBondContact O-CB 3.17Å; A263-A267 PolarHBondContact O-N 3.09Å; A267-S270 PolarHBondContact O-N 3.43Å; A267-L271 VanDerWaalsContact O-CB 3.27Å; A267-L271 WeakPolarHBondContact O-CB 3.09Å; A267-L271 PolarHBondContact O-N 3.45Å
268K98.7Very high97.9Very high103 Ų10338.4 Ų38.445%0.44820%0.196SC..Hα-helixtrans-59-54.1173.9179.1-179.4-179.5-61.10111.8R50 E76 K264 Y266 S270 L271 D272R50-K268 PolarHBondContact NH1-O 2.94Å; E76-K268 HydrophobicContact CG-CB 4.27Å; E76-K268 WeakPolarHBondContact OE2-CA 3.4Å; E76-K268 WeakPolarHBondContact OE2-CB 3.44Å; E76-K268 WeakPolarHBondContact OE2-CG 3.48Å; K264-K268 WeakPolarHBondContact O-CB 3.13Å; K264-K268 PolarHBondContact O-N 3.33Å; K264-K268 VanDerWaalsContact O-N 3.11Å; Y266-K268 VanDerWaalsContact C-N 3.31Å; Y266-K268 PolarHBondContact O-N 2.95Å; K268-S270 PolarHBondContact O-N 2.95Å; K268-L271 PolarHBondContact O-N 3.42Å; K268-D272 IonicContact NZ-OD2 2.69Å; K268-D272 PolarHBondContact NZ-OD2 3.3Å; K268-D272 WeakPolarHBondContact O-CB 3.48Å; K268-D272 PolarHBondContact O-N 3.18Å
269S98.6Very high97.9Very high23 Ų2335.5 Ų35.516%0.16118%0.184CC..Hα-helixtrans-60.2-37.7-179.41750000111.8I265 Y266 M273 G282I265-S269 WeakPolarHBondContact O-CB 3.5Å; I265-S269 PolarHBondContact O-N 3.24Å; Y266-S269 PolarHBondContact O-N 3.39Å; S269-M273 WeakPolarHBondContact O-CG 3.37Å; S269-G282 CarbonylContact C-O 3.6Å; S269-G282 WeakPolarHBondContact CB-O 3.36Å; S269-G282 PolarHBondContact OG-O 3.32Å
270S98.7Very high98Very high0 Ų032.1 Ų32.10%017%0.17CC..Hα-helixtrans-72.6-46.8-178.1-1700000110.9Y73 M241 Y266 A267 K268 D272 M273 G282Y73-S270 VanDerWaalsContact OH-CB 3.26Å; Y73-S270 WeakPolarHBondContact OH-CB 3.32Å; Y73-S270 PolarHBondContact OH-OG 3.12Å; M241-S270 WeakPolarHBondContact CE-O 3.26Å; M241-S270 VanDerWaalsContact CE-OG 3.29Å; M241-S270 WeakPolarHBondContact CE-OG 3.46Å; M241-S270 VanDerWaalsContact CG-OG 3.32Å; M241-S270 WeakPolarHBondContact CG-OG 3.22Å; M241-S270 PolarHBondContact SD-OG 3.38Å; Y266-S270 WeakPolarHBondContact O-CB 3.48Å; Y266-S270 PolarHBondContact O-N 2.9Å; A267-S270 PolarHBondContact O-N 3.43Å; K268-S270 PolarHBondContact O-N 2.95Å; S270-D272 VanDerWaalsContact C-N 3.29Å; S270-D272 PolarHBondContact O-N 2.92Å; S270-M273 WeakPolarHBondContact O-CB 3.3Å; S270-M273 PolarHBondContact O-N 2.75Å; S270-G282 VanDerWaalsContact CA-O 3.31Å; S270-G282 WeakPolarHBondContact CA-O 3.06Å; S270-G282 PolarHBondContact N-O 3.22Å; S270-G282 VanDerWaalsContact N-O 3.12Å
271L98.6Very high98Very high0 Ų031.6 Ų31.60%017%0.167CC..Hα-helixtrans-65.5-32.3176.7-168.964.1000112.1R50 L53 Y73 E76 L77 I196 A267 K268 M273 Y274R50-L271 HydrophobicContact CG-CD2 4.37Å; R50-L271 HydrophobicContact CG-CG 4.05Å; L53-L271 HydrophobicContact CD1-CD1 3.96Å; Y73-L271 HydrophobicContact CD1-CD1 4.47Å; Y73-L271 HydrophobicContact CE1-CB 4.09Å; Y73-L271 HydrophobicContact CE1-CD1 4.18Å; E76-L271 HydrophobicContact CB-CD2 3.74Å; L77-L271 HydrophobicContact CD2-CD1 4.09Å; L77-L271 HydrophobicContact CD2-CD2 4.1Å; L77-L271 HydrophobicContact CG-CD2 4.24Å; I196-L271 HydrophobicContact CD1-CD1 3.9Å; A267-L271 VanDerWaalsContact O-CB 3.27Å; A267-L271 WeakPolarHBondContact O-CB 3.09Å; A267-L271 PolarHBondContact O-N 3.45Å; K268-L271 PolarHBondContact O-N 3.42Å; L271-M273 PolarHBondContact O-N 3.34Å; L271-M273 VanDerWaalsContact O-N 3.13Å; L271-Y274 WeakPolarHBondContact O-CB 3.48Å; L271-Y274 PolarHBondContact O-N 2.83Å
272D98.4Very high98Very high31 Ų3131.4 Ų31.417%0.16617%0.166CC..THydrogen-bonded Turntrans-57.4-24.5171.7-76-12.8000112.3K44 S48 R50 K268 S270K44-D272 HydrophobicContact CD-CB 4.03Å; S48-D272 VanDerWaalsContact CB-O 3.27Å; S48-D272 WeakPolarHBondContact CB-O 3.23Å; S48-D272 PolarHBondContact OG-O 3.08Å; R50-D272 VanDerWaalsContact CD-OD1 3.23Å; R50-D272 WeakPolarHBondContact CD-OD1 3.35Å; R50-D272 IonicContact CZ-OD1 2.76Å; R50-D272 IonicContact NE-OD1 2.65Å; R50-D272 IonicContact NH1-OD1 3.71Å; R50-D272 PolarHBondContact NH1-OD1 2.88Å; K268-D272 IonicContact NZ-OD2 2.69Å; K268-D272 PolarHBondContact NZ-OD2 3.3Å; K268-D272 WeakPolarHBondContact O-CB 3.48Å; K268-D272 PolarHBondContact O-N 3.18Å; S270-D272 VanDerWaalsContact C-N 3.29Å; S270-D272 PolarHBondContact O-N 2.92Å
273M98.3Very high97.9Very high1 Ų130.8 Ų30.81%0.00516%0.159CC..THydrogen-bonded Turntrans-91.82.7178.4-61.4-57.2-67.500114.2K39 Y40 K44 S269 S270 L271 G275 V276 I280K39-M273 HydrophobicContact CB-CE 4.48Å; Y40-M273 HydrophobicContact CD1-CG 4.42Å; Y40-M273 HydrophobicContact CD1-SD 3.97Å; Y40-M273 HydrophobicContact CE1-CG 3.99Å; Y40-M273 HydrophobicContact CE1-SD 4.13Å; Y40-M273 HydrophobicContact CG-SD 4.44Å; K44-M273 HydrophobicContact CB-SD 3.91Å; K44-M273 HydrophobicContact CD-SD 4.22Å; K44-M273 HydrophobicContact CG-SD 4.09Å; S269-M273 WeakPolarHBondContact O-CG 3.37Å; S270-M273 WeakPolarHBondContact O-CB 3.3Å; S270-M273 PolarHBondContact O-N 2.75Å; L271-M273 PolarHBondContact O-N 3.34Å; L271-M273 VanDerWaalsContact O-N 3.13Å; M273-G275 PolarHBondContact O-N 3.07Å; M273-V276 HydrophobicContact CE-CB 3.88Å; M273-V276 HydrophobicContact CE-CG1 3.6Å; M273-V276 HydrophobicContact CE-CG2 4.24Å; M273-V276 WeakPolarHBondContact O-CB 3.41Å; M273-V276 WeakPolarHBondContact O-CG2 3.42Å; M273-V276 PolarHBondContact O-N 2.83Å; M273-V276 HydrophobicContact SD-CG2 4.45Å; M273-I280 HydrophobicContact CB-CG2 4.49Å; M273-I280 HydrophobicContact CE-CD1 3.48Å; M273-I280 VanDerWaalsContact CE-CD1 3.48Å; M273-I280 HydrophobicContact CG-CD1 4.19Å
274Y98.2Very high97.9Very high0 Ų033 Ų330%017%0.167CC..THydrogen-bonded Turntrans-56.4119.8179.6-179.3-104.8000111.6K49 L53 Y192 P193 G194 I196 I237 L271 V276K49-Y274 HydrophobicContact CB-CD1 3.81Å; K49-Y274 HydrophobicContact CB-CE1 4.02Å; K49-Y274 PolarHBondContact N-O 2.72Å; L53-Y274 HydrophobicContact CD1-CD1 4.25Å; L53-Y274 HydrophobicContact CD1-CE1 4.46Å; L53-Y274 HydrophobicContact CD2-CD1 4.04Å; L53-Y274 HydrophobicContact CD2-CE1 3.42Å; L53-Y274 VanDerWaalsContact CD2-CE1 3.42Å; L53-Y274 HydrophobicContact CD2-CE2 4.41Å; L53-Y274 HydrophobicContact CG-CD1 4.07Å; L53-Y274 HydrophobicContact CG-CE1 3.89Å; Y192-Y274 PolarHBondContact O-OH 3.38Å; P193-Y274 VanDerWaalsContact C-OH 3.3Å; G194-Y274 WeakPolarHBondContact CA-OH 3.39Å; G194-Y274 PolarHBondContact N-OH 2.97Å; I196-Y274 HydrophobicContact CD1-CD2 3.83Å; I196-Y274 HydrophobicContact CD1-CE2 4.32Å; I196-Y274 HydrophobicContact CG1-CD2 3.97Å; I196-Y274 HydrophobicContact CG1-CE2 4.14Å; I237-Y274 HydrophobicContact CB-CE2 4.13Å; I237-Y274 HydrophobicContact CD1-CD1 4.23Å; I237-Y274 HydrophobicContact CD1-CE1 3.58Å; I237-Y274 HydrophobicContact CD1-CE2 4.45Å; I237-Y274 HydrophobicContact CG2-CD2 4.22Å; I237-Y274 HydrophobicContact CG2-CE2 3.72Å; L271-Y274 WeakPolarHBondContact O-CB 3.48Å; L271-Y274 PolarHBondContact O-N 2.83Å; Y274-V276 VanDerWaalsContact C-N 3.32Å; Y274-V276 PolarHBondContact O-N 3.43Å
275G96.3Very high97.9Very high27 Ų2727.9 Ų27.928%0.27815%0.145SC..THydrogen-bonded Turntrans81.6-0.6-179.700000115.5M273M273-G275 PolarHBondContact O-N 3.07Å
276V97.1Very high97.9Very high24 Ų2423.9 Ų23.915%0.14512%0.124CC..THydrogen-bonded Turntrans-79.8-41.1-178.7-179.70000112.1F47 M273 Y274F47-V276 HydrophobicContact CB-CG2 4.44Å; M273-V276 HydrophobicContact CE-CB 3.88Å; M273-V276 HydrophobicContact CE-CG1 3.6Å; M273-V276 HydrophobicContact CE-CG2 4.24Å; M273-V276 WeakPolarHBondContact O-CB 3.41Å; M273-V276 WeakPolarHBondContact O-CG2 3.42Å; M273-V276 PolarHBondContact O-N 2.83Å; M273-V276 HydrophobicContact SD-CG2 4.45Å; Y274-V276 VanDerWaalsContact C-N 3.32Å; Y274-V276 PolarHBondContact O-N 3.43Å
277T95.7Very high97.8Very high37 Ų3725.4 Ų25.423%0.22713%0.131CC..  trans-155.3139.9-179.9173.60000108.6Q239 Q279 I280Q239-T277 PolarHBondContact NE2-O 2.97Å; Q239-T277 PolarHBondContact OE1-O 2.86Å; T277-Q279 VanDerWaalsContact C-N 3.27Å; T277-Q279 PolarHBondContact O-N 3.21Å; T277-Q279 PolarHBondContact OG1-O 3.05Å; T277-I280 HydrophobicContact CG2-CB 3.87Å; T277-I280 HydrophobicContact CG2-CD1 3.81Å; T277-I280 HydrophobicContact CG2-CG1 4.28Å; T277-I280 HydrophobicContact CG2-CG2 4.36Å
278Q96.4Very high97.7Very high84 Ų8427.6 Ų27.639%0.39314%0.143SC..SBendtrans-55.3-38.1-176.5-177.2-169.46600113.9A228 Q239 I240A228-Q278 HydrophobicContact CB-CG 4.04Å; Q239-Q278 PolarHBondContact NE2-O 2.72Å; I240-Q278 HydrophobicContact CD1-CG 3.8Å; I240-Q278 VanDerWaalsContact CD1-O 3.26Å; I240-Q278 WeakPolarHBondContact CD1-O 3.3Å; I240-Q278 PolarHBondContact N-O 3.12Å
279Q97.1Very high97.6Very high58 Ų5824.4 Ų24.427%0.27113%0.129SC..EExtended strand (participates in β ladder)trans-136131.4-174.8-173.1-173.8-64.800110.9F204 I240 N242 T277F204-Q279 VanDerWaalsContact CZ-CD 3.42Å; F204-Q279 HydrophobicContact CZ-CG 4.22Å; I240-Q279 HydrophobicContact CB-CB 4.36Å; I240-Q279 HydrophobicContact CB-CG 4.1Å; I240-Q279 HydrophobicContact CD1-CB 4.43Å; I240-Q279 HydrophobicContact CG2-CG 4.41Å; I240-Q279 WeakPolarHBondContact O-CA 3.48Å; N242-Q279 VanDerWaalsContact ND2-CG 3.29Å; N242-Q279 WeakPolarHBondContact ND2-CG 3.44Å; T277-Q279 VanDerWaalsContact C-N 3.27Å; T277-Q279 PolarHBondContact O-N 3.21Å; T277-Q279 PolarHBondContact OG1-O 3.05Å
280I97.5Very high97.4Very high9 Ų923.6 Ų23.65%0.04612%0.123CC..EExtended strand (participates in β ladder)trans-158.5167.6-179.4-160.7168.7000111Y40 I240 M241 N242 M273 T277 E287Y40-I280 HydrophobicContact CD2-CD1 4.39Å; Y40-I280 HydrophobicContact CE1-CD1 4.44Å; Y40-I280 HydrophobicContact CE2-CD1 3.46Å; Y40-I280 VanDerWaalsContact CE2-CD1 3.46Å; Y40-I280 HydrophobicContact CE2-CG1 4.12Å; Y40-I280 WeakPolarHBondContact OH-CD1 3.24Å; Y40-I280 WeakPolarHBondContact OH-CG1 3.25Å; I240-I280 PolarHBondContact O-N 3.08Å; M241-I280 CarbonylContact C-O 3.46Å; M241-I280 WeakPolarHBondContact CA-O 3.5Å; M241-I280 HydrophobicContact CE-CG2 4.48Å; M241-I280 HydrophobicContact SD-CG2 3.48Å; M241-I280 WeakPolarHBondContact SD-CG2 3.34Å; N242-I280 PolarHBondContact N-O 3.41Å; N242-I280 PolarHBondContact ND2-O 2.79Å; M273-I280 HydrophobicContact CB-CG2 4.49Å; M273-I280 HydrophobicContact CE-CD1 3.48Å; M273-I280 VanDerWaalsContact CE-CD1 3.48Å; M273-I280 HydrophobicContact CG-CD1 4.19Å; T277-I280 HydrophobicContact CG2-CB 3.87Å; T277-I280 HydrophobicContact CG2-CD1 3.81Å; T277-I280 HydrophobicContact CG2-CG1 4.28Å; T277-I280 HydrophobicContact CG2-CG2 4.36Å; I280-E287 WeakPolarHBondContact CG1-OE1 3.29Å
281T97.9Very high97.2Very high7 Ų725.4 Ų25.44%0.04313%0.131CC..  trans-78.4-18172.362.10000113.6N242 L244 Y266 Y283 H286 E287 A290N242-T281 VanDerWaalsContact O-CA 3.3Å; N242-T281 WeakPolarHBondContact O-CA 3.38Å; N242-T281 WeakPolarHBondContact O-CB 3.09Å; N242-T281 WeakPolarHBondContact O-CG2 3.14Å; L244-T281 HydrophobicContact CD1-CG2 4.22Å; Y266-T281 VanDerWaalsContact CE2-O 3.31Å; Y266-T281 WeakPolarHBondContact CE2-O 3.23Å; Y266-T281 PolarHBondContact OH-O 2.93Å; T281-Y283 VanDerWaalsContact C-N 3.29Å; T281-Y283 PolarHBondContact O-N 3.42Å; T281-Y283 PolarHBondContact OG1-O 3.33Å; T281-H286 HydrophobicContact CG2-CB 4.17Å; T281-H286 WeakPolarHBondContact OG1-CB 3.22Å; T281-E287 WeakPolarHBondContact CA-OE1 3.47Å; T281-E287 WeakPolarHBondContact CB-OE1 3.43Å; T281-E287 WeakPolarHBondContact CG2-OE1 3.39Å; T281-E287 PolarHBondContact N-OE1 2.74Å; T281-E287 WeakPolarHBondContact OG1-CG 3.26Å; T281-E287 PolarHBondContact OG1-N 3.36Å; T281-E287 PolarHBondContact OG1-OE1 3.48Å; T281-A290 HydrophobicContact CG2-CB 4.29Å
282G97.7Very high97Very high0 Ų028.7 Ų28.70%015%0.151CC..SBendtrans85.4-10.6179.400000114.6Y40 S269 S270Y40-G282 PolarHBondContact OH-N 2.68Å; S269-G282 CarbonylContact C-O 3.6Å; S269-G282 WeakPolarHBondContact CB-O 3.36Å; S269-G282 PolarHBondContact OG-O 3.32Å; S270-G282 VanDerWaalsContact CA-O 3.31Å; S270-G282 WeakPolarHBondContact CA-O 3.06Å; S270-G282 PolarHBondContact N-O 3.22Å; S270-G282 VanDerWaalsContact N-O 3.12Å
283Y98.4Very high96.8Very high33 Ų3329.3 Ų29.313%0.12915%0.151CC..SBendtrans-142.5125.9-178.8-175.6-124.5000111.7Y40 F258 P261 I265 T281 P285 H286 E287Y40-Y283 PolarHBondContact OH-N 3.49Å; F258-Y283 WeakPolarHBondContact O-CE1 3.06Å; F258-Y283 PolarHBondContact O-OH 3.47Å; P261-Y283 HydrophobicContact CB-CD1 4.17Å; P261-Y283 HydrophobicContact CB-CE1 3.81Å; P261-Y283 HydrophobicContact CB-CE2 4.28Å; P261-Y283 HydrophobicContact CG-CD1 3.63Å; P261-Y283 HydrophobicContact CG-CE1 3.71Å; P261-Y283 HydrophobicContact CG-CG 4.11Å; I265-Y283 HydrophobicContact CG2-CD2 4.45Å; I265-Y283 HydrophobicContact CG2-CE2 3.73Å; T281-Y283 VanDerWaalsContact C-N 3.29Å; T281-Y283 PolarHBondContact O-N 3.42Å; T281-Y283 PolarHBondContact OG1-O 3.33Å; Y283-P285 HydrophobicContact CD1-CB 3.98Å; Y283-P285 HydrophobicContact CD1-CG 4.02Å; Y283-P285 HydrophobicContact CE1-CB 3.6Å; Y283-P285 VanDerWaalsContact CE1-CD 3.5Å; Y283-P285 HydrophobicContact CE1-CG 3.43Å; Y283-P285 VanDerWaalsContact CE1-CG 3.43Å; Y283-P285 HydrophobicContact CE2-CG 4.23Å; Y283-H286 HydrophobicContact CD1-CB 4.48Å; Y283-H286 AromaticContact CD1-CD2 3.66Å; Y283-H286 AromaticContact CD1-CG 3.87Å; Y283-H286 AromaticContact CD1-NE2 3.87Å; Y283-H286 WeakPolarHBondContact O-CA 3.26Å; Y283-H286 WeakPolarHBondContact O-CB 3.08Å; Y283-H286 PolarHBondContact O-N 3.29Å; Y283-E287 PolarHBondContact O-N 3.34Å
284F98Very high96.5Very high59 Ų5933.6 Ų33.626%0.25917%0.174SC..Hα-helixtrans-55.9-45.5-171.7170.6-105.3000114.3V36 Y37 Y40 H286 E287 L288V36-F284 HydrophobicContact CG1-CD2 4.23Å; V36-F284 HydrophobicContact CG1-CE2 4.1Å; Y37-F284 HydrophobicContact CD2-CE2 4.38Å; Y37-F284 HydrophobicContact CD2-CZ 4.28Å; Y40-F284 HydrophobicContact CD1-CB 3.75Å; Y40-F284 HydrophobicContact CD2-CB 4.22Å; Y40-F284 AromaticContact CD2-CD2 3.94Å; Y40-F284 HydrophobicContact CD2-CD2 3.94Å; Y40-F284 HydrophobicContact CE1-CB 3.98Å; Y40-F284 HydrophobicContact CE2-CB 4.46Å; Y40-F284 HydrophobicContact CG-CB 3.86Å; Y40-F284 HydrophobicContact CG-CD2 4.02Å; Y40-F284 HydrophobicContact CG-CG 4.38Å; F284-H286 PolarHBondContact O-N 2.81Å; F284-E287 WeakPolarHBondContact O-CB 3.48Å; F284-E287 PolarHBondContact O-N 2.97Å; F284-L288 HydrophobicContact CD1-CD1 4.28Å; F284-L288 HydrophobicContact CE1-CD1 3.62Å; F284-L288 HydrophobicContact CE1-CG 4.13Å; F284-L288 HydrophobicContact CE2-CD2 4.03Å; F284-L288 HydrophobicContact CE2-CG 4.22Å; F284-L288 HydrophobicContact CZ-CD1 3.77Å; F284-L288 HydrophobicContact CZ-CD2 3.83Å; F284-L288 HydrophobicContact CZ-CG 3.92Å; F284-L288 PolarHBondContact O-N 3.4Å; F284-L288 VanDerWaalsContact O-N 3.17Å
285P98.2Very high96.2Very high5 Ų537.1 Ų37.13%0.03219%0.193CC..Hα-helixtrans-59.8-29.4173.1-28.337.7000114.3F258 F259 Y283 L288 K289F258-P285 HydrophobicContact CD1-CB 4.09Å; F258-P285 HydrophobicContact CD1-CG 4.34Å; F258-P285 HydrophobicContact CD2-CG 4.42Å; F258-P285 HydrophobicContact CE1-CB 3.75Å; F258-P285 HydrophobicContact CE1-CG 3.82Å; F258-P285 HydrophobicContact CE2-CG 3.91Å; F258-P285 HydrophobicContact CZ-CB 4.07Å; F258-P285 HydrophobicContact CZ-CG 3.59Å; F258-P285 VanDerWaalsContact O-CB 3.26Å; F258-P285 WeakPolarHBondContact O-CB 3.49Å; F259-P285 HydrophobicContact CD1-CB 3.91Å; F259-P285 WeakPolarHBondContact CD1-O 3.46Å; F259-P285 HydrophobicContact CE1-CB 4.26Å; Y283-P285 HydrophobicContact CD1-CB 3.98Å; Y283-P285 HydrophobicContact CD1-CG 4.02Å; Y283-P285 HydrophobicContact CE1-CB 3.6Å; Y283-P285 VanDerWaalsContact CE1-CD 3.5Å; Y283-P285 HydrophobicContact CE1-CG 3.43Å; Y283-P285 VanDerWaalsContact CE1-CG 3.43Å; Y283-P285 HydrophobicContact CE2-CG 4.23Å; P285-L288 PolarHBondContact O-N 2.87Å; P285-K289 WeakPolarHBondContact O-CB 3.41Å; P285-K289 PolarHBondContact O-N 3.45Å
286H98.2Very high96Very high0 Ų039 Ų390%019%0.194CC..Hα-helixtrans-66.4-39.7172.6-73.3179.6000111.7L244 F245 F259 P261 T281 Y283 F284 K289 A290L244-H286 HydrophobicContact CD1-CB 3.57Å; L244-H286 WeakPolarHBondContact CD1-O 3.47Å; L244-H286 PolarHBondContact N-CE1 3.44Å; L244-H286 PolarHBondContact N-ND1 3.26Å; F245-H286 PolarHBondContact O-NE2 3.2Å; F259-H286 PolarHBondContact O-CD2 3.17Å; F259-H286 PolarHBondContact O-NE2 3.12Å; P261-H286 VanDerWaalsContact CD-NE2 3.32Å; P261-H286 WeakPolarHBondContact CD-NE2 3.38Å; T281-H286 HydrophobicContact CG2-CB 4.17Å; T281-H286 WeakPolarHBondContact OG1-CB 3.22Å; Y283-H286 HydrophobicContact CD1-CB 4.48Å; Y283-H286 AromaticContact CD1-CD2 3.66Å; Y283-H286 AromaticContact CD1-CG 3.87Å; Y283-H286 AromaticContact CD1-NE2 3.87Å; Y283-H286 WeakPolarHBondContact O-CA 3.26Å; Y283-H286 WeakPolarHBondContact O-CB 3.08Å; Y283-H286 PolarHBondContact O-N 3.29Å; F284-H286 PolarHBondContact O-N 2.81Å; H286-K289 PolarHBondContact O-N 3.23Å; H286-A290 VanDerWaalsContact O-CB 3.24Å; H286-A290 WeakPolarHBondContact O-CB 3.48Å; H286-A290 PolarHBondContact O-N 2.89Å
287E97.2Very high95.8Very high33 Ų3341.5 Ų41.515%0.15421%0.211CC..Hα-helixtrans-62.1-43.6174-69-57.9146.500112.6V36 Y40 I280 T281 Y283 F284 K289 A290 F291V36-E287 HydrophobicContact CG1-CB 3.43Å; V36-E287 VanDerWaalsContact CG1-CB 3.43Å; V36-E287 HydrophobicContact CG1-CG 3.92Å; Y40-E287 HydrophobicContact CD2-CG 4.43Å; Y40-E287 HydrophobicContact CE2-CG 3.46Å; Y40-E287 VanDerWaalsContact CE2-CG 3.46Å; I280-E287 WeakPolarHBondContact CG1-OE1 3.29Å; T281-E287 WeakPolarHBondContact CA-OE1 3.47Å; T281-E287 WeakPolarHBondContact CB-OE1 3.43Å; T281-E287 WeakPolarHBondContact CG2-OE1 3.39Å; T281-E287 PolarHBondContact N-OE1 2.74Å; T281-E287 WeakPolarHBondContact OG1-CG 3.26Å; T281-E287 PolarHBondContact OG1-N 3.36Å; T281-E287 PolarHBondContact OG1-OE1 3.48Å; Y283-E287 PolarHBondContact O-N 3.34Å; F284-E287 WeakPolarHBondContact O-CB 3.48Å; F284-E287 PolarHBondContact O-N 2.97Å; E287-K289 VanDerWaalsContact C-N 3.29Å; E287-K289 PolarHBondContact O-N 3.17Å; E287-A290 PolarHBondContact O-N 2.97Å; E287-F291 VanDerWaalsContact O-CB 3.27Å; E287-F291 WeakPolarHBondContact O-CB 3.33Å; E287-F291 PolarHBondContact O-N 3.41Å
288L96.9Very high95.5Very high46 Ų4644.2 Ų44.224%0.24122%0.223CC..Hα-helixtrans-59.8-45.2177.6-63.8-177.8000110.7L33 F284 P285 F291 V292L33-L288 HydrophobicContact CD1-CD2 3.59Å; F284-L288 HydrophobicContact CD1-CD1 4.28Å; F284-L288 HydrophobicContact CE1-CD1 3.62Å; F284-L288 HydrophobicContact CE1-CG 4.13Å; F284-L288 HydrophobicContact CE2-CD2 4.03Å; F284-L288 HydrophobicContact CE2-CG 4.22Å; F284-L288 HydrophobicContact CZ-CD1 3.77Å; F284-L288 HydrophobicContact CZ-CD2 3.83Å; F284-L288 HydrophobicContact CZ-CG 3.92Å; F284-L288 PolarHBondContact O-N 3.4Å; F284-L288 VanDerWaalsContact O-N 3.17Å; P285-L288 PolarHBondContact O-N 2.87Å; L288-F291 WeakPolarHBondContact O-CB 3.39Å; L288-F291 PolarHBondContact O-N 3.02Å; L288-V292 WeakPolarHBondContact O-CG2 3.38Å; L288-V292 PolarHBondContact O-N 3.35Å; L288-V292 VanDerWaalsContact O-N 3.1Å
289K95.4Very high95.3Very high36 Ų3643.9 Ų43.916%0.15723%0.23CC..Hα-helixtrans-66.2-44.6178.8-169.3166.9175.8-178.30111.7L244 F259 P285 H286 E287 F291 V292 Y293L244-K289 HydrophobicContact CD2-CB 4.25Å; L244-K289 HydrophobicContact CD2-CD 3.86Å; L244-K289 HydrophobicContact CD2-CG 3.85Å; F259-K289 HydrophobicContact CB-CD 4.03Å; F259-K289 HydrophobicContact CD1-CB 4.03Å; F259-K289 HydrophobicContact CD1-CD 3.94Å; F259-K289 HydrophobicContact CD1-CG 4.5Å; F259-K289 HydrophobicContact CE1-CB 4.24Å; F259-K289 HydrophobicContact CG-CD 4.12Å; P285-K289 WeakPolarHBondContact O-CB 3.41Å; P285-K289 PolarHBondContact O-N 3.45Å; H286-K289 PolarHBondContact O-N 3.23Å; E287-K289 VanDerWaalsContact C-N 3.29Å; E287-K289 PolarHBondContact O-N 3.17Å; K289-F291 VanDerWaalsContact C-N 3.34Å; K289-F291 PolarHBondContact O-N 2.96Å; K289-V292 PolarHBondContact O-N 3.05Å; K289-Y293 HydrophobicContact CD-CE2 4.21Å; K289-Y293 WeakPolarHBondContact CE-OH 3.26Å; K289-Y293 HydrophobicContact CG-CD2 4.15Å; K289-Y293 HydrophobicContact CG-CE1 4.12Å; K289-Y293 HydrophobicContact CG-CE2 3.71Å; K289-Y293 WeakPolarHBondContact O-CB 3.35Å; K289-Y293 PolarHBondContact O-N 2.86Å
290A95.6Very high95Very high5 Ų545 Ų454%0.04124%0.237CC..Hα-helixtrans-61-41.317500000111.9Y201 L244 T281 H286 E287 Y293 N294Y201-A290 HydrophobicContact CD2-CB 3.96Å; Y201-A290 HydrophobicContact CE2-CB 3.62Å; L244-A290 HydrophobicContact CD1-CB 4.29Å; T281-A290 HydrophobicContact CG2-CB 4.29Å; H286-A290 VanDerWaalsContact O-CB 3.24Å; H286-A290 WeakPolarHBondContact O-CB 3.48Å; H286-A290 PolarHBondContact O-N 2.89Å; E287-A290 PolarHBondContact O-N 2.97Å; A290-Y293 PolarHBondContact O-N 3.4Å; A290-N294 VanDerWaalsContact O-CB 3.31Å; A290-N294 WeakPolarHBondContact O-CB 3.29Å; A290-N294 PolarHBondContact O-N 2.92Å; A290-N294 PolarHBondContact O-ND2 2.89Å; A290-N294 VanDerWaalsContact O-ND2 3.15Å
291F95.1Very high94.8Very high38 Ų3844.6 Ų44.617%0.16724%0.235CC..Hα-helixtrans-58-50.9175.7179.8-91.6000110.9K29 Q32 L33 E287 L288 K289 N294 L295K29-F291 HydrophobicContact CB-CZ 4.09Å; K29-F291 HydrophobicContact CD-CZ 4.28Å; K29-F291 VanDerWaalsContact O-CZ 3.3Å; K29-F291 WeakPolarHBondContact O-CZ 3.36Å; Q32-F291 HydrophobicContact CB-CE2 3.89Å; L33-F291 HydrophobicContact CB-CE1 4.47Å; L33-F291 HydrophobicContact CB-CE2 4.43Å; L33-F291 HydrophobicContact CB-CZ 4.22Å; L33-F291 HydrophobicContact CD1-CD1 4.16Å; L33-F291 HydrophobicContact CD1-CE1 4.46Å; L33-F291 HydrophobicContact CD1-CG 4.26Å; E287-F291 VanDerWaalsContact O-CB 3.27Å; E287-F291 WeakPolarHBondContact O-CB 3.33Å; E287-F291 PolarHBondContact O-N 3.41Å; L288-F291 WeakPolarHBondContact O-CB 3.39Å; L288-F291 PolarHBondContact O-N 3.02Å; K289-F291 VanDerWaalsContact C-N 3.34Å; K289-F291 PolarHBondContact O-N 2.96Å; F291-N294 PolarHBondContact O-N 3.41Å; F291-L295 HydrophobicContact CE1-CD1 4.2Å; F291-L295 PolarHBondContact O-N 3.27Å
292V93.7Very high94.4Very high70 Ų7047.1 Ų47.142%0.42425%0.248SC..Hα-helixtrans-61.4-46177174.40000111.2L288 K289 N294 L295 F296L288-V292 WeakPolarHBondContact O-CG2 3.38Å; L288-V292 PolarHBondContact O-N 3.35Å; L288-V292 VanDerWaalsContact O-N 3.1Å; K289-V292 PolarHBondContact O-N 3.05Å; V292-N294 VanDerWaalsContact C-N 3.25Å; V292-N294 PolarHBondContact O-N 2.9Å; V292-L295 WeakPolarHBondContact O-CB 3.22Å; V292-L295 PolarHBondContact O-N 3.19Å; V292-F296 HydrophobicContact CG1-CE2 4.08Å; V292-F296 HydrophobicContact CG1-CZ 4.35Å
293Y93.2Very high94Very high43 Ų4354.2 Ų54.217%0.16928%0.279CS..Hα-helixtrans-61.5-33.6179.3-72-6000113.3Y201 K205 L244 K289 A290 L295 F296 W301 L304Y201-Y293 AromaticContact CE1-CD2 3.82Å; Y201-Y293 HydrophobicContact CE1-CD2 3.82Å; Y201-Y293 WeakPolarHBondContact OH-CB 3.4Å; K205-Y293 WeakPolarHBondContact CE-O 3.39Å; K205-Y293 PolarHBondContact NZ-O 2.74Å; L244-Y293 HydrophobicContact CD2-CD2 4.07Å; L244-Y293 HydrophobicContact CD2-CE2 3.84Å; K289-Y293 HydrophobicContact CD-CE2 4.21Å; K289-Y293 WeakPolarHBondContact CE-OH 3.26Å; K289-Y293 HydrophobicContact CG-CD2 4.15Å; K289-Y293 HydrophobicContact CG-CE1 4.12Å; K289-Y293 HydrophobicContact CG-CE2 3.71Å; K289-Y293 WeakPolarHBondContact O-CB 3.35Å; K289-Y293 PolarHBondContact O-N 2.86Å; A290-Y293 PolarHBondContact O-N 3.4Å; Y293-L295 PolarHBondContact O-N 3.46Å; Y293-F296 HydrophobicContact CD1-CE2 4.29Å; Y293-F296 PolarHBondContact O-N 2.88Å; Y293-W301 AromaticContact CD1-CZ3 3.91Å; Y293-W301 HydrophobicContact CD1-CZ3 3.91Å; Y293-W301 AromaticContact CD2-CH2 3.62Å; Y293-W301 HydrophobicContact CD2-CH2 3.62Å; Y293-W301 AromaticContact CD2-CZ3 3.63Å; Y293-W301 HydrophobicContact CD2-CZ3 3.63Å; Y293-W301 HydrophobicContact CE1-CZ3 4.35Å; Y293-W301 HydrophobicContact CE2-CH2 4.04Å; Y293-W301 HydrophobicContact CE2-CZ3 4.11Å; Y293-W301 HydrophobicContact CG-CE3 4.49Å; Y293-W301 AromaticContact CG-CH2 3.96Å; Y293-W301 HydrophobicContact CG-CH2 3.96Å; Y293-W301 AromaticContact CG-CZ3 3.49Å; Y293-W301 HydrophobicContact CG-CZ3 3.49Å; Y293-W301 VanDerWaalsContact CG-CZ3 3.49Å; Y293-L304 HydrophobicContact CD1-CD2 4.5Å; Y293-L304 HydrophobicContact CE1-CD2 4.15Å
294N93Very high93.6Very high91 Ų9155.8 Ų55.849%0.48729%0.289SS..Hα-helixtrans-73.8-11.8176.3-69.8-20.6000113.7Y201 K205 A290 F291 V292Y201-N294 PolarHBondContact OH-OD1 3.01Å; K205-N294 WeakPolarHBondContact CE-OD1 3.37Å; A290-N294 VanDerWaalsContact O-CB 3.31Å; A290-N294 WeakPolarHBondContact O-CB 3.29Å; A290-N294 PolarHBondContact O-N 2.92Å; A290-N294 PolarHBondContact O-ND2 2.89Å; A290-N294 VanDerWaalsContact O-ND2 3.15Å; F291-N294 PolarHBondContact O-N 3.41Å; V292-N294 VanDerWaalsContact C-N 3.25Å; V292-N294 PolarHBondContact O-N 2.9Å
295L92.5Very high93Very high74 Ų7453.1 Ų53.139%0.38728%0.277SS..Hα-helixtrans-77.1-23.4171.7-59.7177000112.5K29 F291 V292 Y293K29-L295 HydrophobicContact CD-CD2 3.97Å; K29-L295 HydrophobicContact CG-CD2 4.45Å; F291-L295 HydrophobicContact CE1-CD1 4.2Å; F291-L295 PolarHBondContact O-N 3.27Å; V292-L295 WeakPolarHBondContact O-CB 3.22Å; V292-L295 PolarHBondContact O-N 3.19Å; Y293-L295 PolarHBondContact O-N 3.46Å
296F91.4Very high92.3Very high67 Ų6757.8 Ų57.829%0.29430%0.299SS..SBendtrans-78.3129.8-176.7-63-57.8000112.4K205 V292 Y293 L300 W301 L304K205-F296 PolarHBondContact NZ-O 3.41Å; K205-F296 VanDerWaalsContact NZ-O 3.12Å; V292-F296 HydrophobicContact CG1-CE2 4.08Å; V292-F296 HydrophobicContact CG1-CZ 4.35Å; Y293-F296 HydrophobicContact CD1-CE2 4.29Å; Y293-F296 PolarHBondContact O-N 2.88Å; F296-L300 HydrophobicContact CB-CG 4.49Å; F296-L300 HydrophobicContact CD1-CD2 3.39Å; F296-L300 HydrophobicContact CD1-CG 3.88Å; F296-L300 HydrophobicContact CE1-CD2 3.88Å; F296-L300 HydrophobicContact CE1-CG 4.48Å; F296-L300 HydrophobicContact CG-CD2 4.31Å; F296-L300 HydrophobicContact CG-CG 4.39Å; F296-W301 HydrophobicContact CB-CB 4.31Å; F296-L304 HydrophobicContact CD2-CD2 4.32Å; F296-L304 HydrophobicContact CE2-CD2 4.11Å
297P92.4Very high91.5Very high77 Ų7764.9 Ų64.950%0.533%0.331SS..  trans-62.2158.2168.628.8-34.7000110.2S299 L300 W301P297-S299 VanDerWaalsContact C-N 3.27Å; P297-S299 PolarHBondContact O-N 3.19Å; P297-L300 HydrophobicContact CG-CB 4.02Å; P297-L300 PolarHBondContact O-N 3.26Å; P297-L300 VanDerWaalsContact O-N 3.12Å; P297-W301 WeakPolarHBondContact O-CB 3.08Å; P297-W301 PolarHBondContact O-N 2.91Å
298I90.6Very high90.7Very high94 Ų9465.1 Ų65.148%0.48234%0.335SS..Hα-helixtrans-55.5-40.2-172.5-168.963.2000112.9V206 L300 W301 L302V206-I298 HydrophobicContact CB-CD1 3.89Å; V206-I298 HydrophobicContact CG2-CD1 3.83Å; I298-L300 PolarHBondContact O-N 2.93Å; I298-W301 WeakPolarHBondContact O-CB 3.48Å; I298-W301 PolarHBondContact O-N 3.2Å; I298-L302 HydrophobicContact CD1-CG 4.3Å; I298-L302 HydrophobicContact CG1-CD1 4.11Å; I298-L302 HydrophobicContact CG1-CG 4.27Å; I298-L302 VanDerWaalsContact O-CG 3.25Å; I298-L302 WeakPolarHBondContact O-CG 3.28Å; I298-L302 PolarHBondContact O-N 3.23Å
299S91Very high89.9Confident77 Ų7763.4 Ų63.454%0.53833%0.326SS..Hα-helixtrans-62.5-42.3179.953.50000112.9P297 K303P297-S299 VanDerWaalsContact C-N 3.27Å; P297-S299 PolarHBondContact O-N 3.19Å; S299-K303 WeakPolarHBondContact O-CG 3.5Å; S299-K303 PolarHBondContact O-N 3.08Å
300L91.6Very high89Confident81 Ų8163.7 Ų63.742%0.42433%0.332SS..Hα-helixtrans-74.2-37.5177.2-177.954.4000111.3F296 P297 I298 K303 L304F296-L300 HydrophobicContact CB-CG 4.49Å; F296-L300 HydrophobicContact CD1-CD2 3.39Å; F296-L300 HydrophobicContact CD1-CG 3.88Å; F296-L300 HydrophobicContact CE1-CD2 3.88Å; F296-L300 HydrophobicContact CE1-CG 4.48Å; F296-L300 HydrophobicContact CG-CD2 4.31Å; F296-L300 HydrophobicContact CG-CG 4.39Å; P297-L300 HydrophobicContact CG-CB 4.02Å; P297-L300 PolarHBondContact O-N 3.26Å; P297-L300 VanDerWaalsContact O-N 3.12Å; I298-L300 PolarHBondContact O-N 2.93Å; L300-K303 PolarHBondContact O-N 3.09Å; L300-L304 PolarHBondContact O-N 3Å; L300-L304 VanDerWaalsContact O-N 3.08Å
301W92Very high87.9Confident0 Ų066.2 Ų66.20%035%0.348CS..Hα-helixtrans-60.2-45.7175.3173.5-107.1000112.4Y201 K205 V206 F207 Y293 F296 P297 I298 K303 L304 I305Y201-W301 HydrophobicContact CE1-CH2 4.1Å; Y201-W301 HydrophobicContact CE1-CZ2 4.38Å; K205-W301 HydrophobicContact CB-CZ2 4.18Å; K205-W301 HydrophobicContact CD-CD2 4.05Å; K205-W301 HydrophobicContact CD-CG 4.11Å; K205-W301 HydrophobicContact CD-CZ2 4.35Å; V206-W301 PolarHBondContact O-NE1 3.41Å; F207-W301 HydrophobicContact CD1-CZ2 4.46Å; F207-W301 HydrophobicContact CD2-CZ2 4.35Å; F207-W301 HydrophobicContact CE1-CH2 4.28Å; F207-W301 AromaticContact CE1-CZ2 3.83Å; F207-W301 HydrophobicContact CE1-CZ2 3.83Å; F207-W301 HydrophobicContact CE2-CH2 4.49Å; F207-W301 AromaticContact CE2-CZ2 3.69Å; F207-W301 HydrophobicContact CE2-CZ2 3.69Å; F207-W301 AromaticContact CZ-CH2 3.87Å; F207-W301 HydrophobicContact CZ-CH2 3.87Å; F207-W301 AromaticContact CZ-CZ2 3.41Å; F207-W301 HydrophobicContact CZ-CZ2 3.41Å; F207-W301 VanDerWaalsContact CZ-CZ2 3.41Å; Y293-W301 AromaticContact CD1-CZ3 3.91Å; Y293-W301 HydrophobicContact CD1-CZ3 3.91Å; Y293-W301 AromaticContact CD2-CH2 3.62Å; Y293-W301 HydrophobicContact CD2-CH2 3.62Å; Y293-W301 AromaticContact CD2-CZ3 3.63Å; Y293-W301 HydrophobicContact CD2-CZ3 3.63Å; Y293-W301 HydrophobicContact CE1-CZ3 4.35Å; Y293-W301 HydrophobicContact CE2-CH2 4.04Å; Y293-W301 HydrophobicContact CE2-CZ3 4.11Å; Y293-W301 HydrophobicContact CG-CE3 4.49Å; Y293-W301 AromaticContact CG-CH2 3.96Å; Y293-W301 HydrophobicContact CG-CH2 3.96Å; Y293-W301 AromaticContact CG-CZ3 3.49Å; Y293-W301 HydrophobicContact CG-CZ3 3.49Å; Y293-W301 VanDerWaalsContact CG-CZ3 3.49Å; F296-W301 HydrophobicContact CB-CB 4.31Å; P297-W301 WeakPolarHBondContact O-CB 3.08Å; P297-W301 PolarHBondContact O-N 2.91Å; I298-W301 WeakPolarHBondContact O-CB 3.48Å; I298-W301 PolarHBondContact O-N 3.2Å; W301-K303 PolarHBondContact O-N 3.29Å; W301-L304 HydrophobicContact CE3-CD2 4.27Å; W301-L304 HydrophobicContact CZ3-CD2 4.2Å; W301-L304 PolarHBondContact O-N 2.9Å; W301-I305 HydrophobicContact CD2-CG1 3.87Å; W301-I305 HydrophobicContact CE3-CG1 4.19Å; W301-I305 HydrophobicContact CH2-CD1 3.45Å; W301-I305 VanDerWaalsContact CH2-CD1 3.45Å; W301-I305 HydrophobicContact CH2-CG1 3.7Å; W301-I305 HydrophobicContact CZ2-CD1 3.46Å; W301-I305 VanDerWaalsContact CZ2-CD1 3.46Å; W301-I305 HydrophobicContact CZ2-CG1 3.31Å; W301-I305 HydrophobicContact CZ3-CD1 4.06Å; W301-I305 HydrophobicContact CZ3-CG1 4.1Å; W301-I305 PolarHBondContact O-N 2.84Å
302L91Very high86.8Confident60 Ų6068.1 Ų68.131%0.31435%0.354SS..Hα-helixtrans-61.7-43178.7-70.3174.1000111.7V206 P208 I298 L304 I305 E306V206-L302 HydrophobicContact CG1-CD2 4.08Å; P208-L302 HydrophobicContact CG-CD2 3.58Å; I298-L302 HydrophobicContact CD1-CG 4.3Å; I298-L302 HydrophobicContact CG1-CD1 4.11Å; I298-L302 HydrophobicContact CG1-CG 4.27Å; I298-L302 VanDerWaalsContact O-CG 3.25Å; I298-L302 WeakPolarHBondContact O-CG 3.28Å; I298-L302 PolarHBondContact O-N 3.23Å; L302-L304 VanDerWaalsContact C-N 3.33Å; L302-L304 PolarHBondContact O-N 3.18Å; L302-I305 PolarHBondContact O-N 3.18Å; L302-E306 WeakPolarHBondContact O-CB 3.46Å; L302-E306 PolarHBondContact O-N 3.28Å
303K89.2Confident85.9Confident150 Ų15066.6 Ų66.665%0.65234%0.341SS*.Hα-helixtrans-60.2-41.3174.7-70.8-178.9178.7-172.90112.6S299 L300 W301 H307S299-K303 WeakPolarHBondContact O-CG 3.5Å; S299-K303 PolarHBondContact O-N 3.08Å; L300-K303 PolarHBondContact O-N 3.09Å; W301-K303 PolarHBondContact O-N 3.29Å; K303-H307 PolarHBondContact O-N 2.83Å
304L88.7Confident85Confident65 Ų6569.9 Ų69.934%0.3436%0.358SS..Hα-helixtrans-67.3-42.1178.4-176.668.8000111.9Y293 F296 L300 W301 L302 T308Y293-L304 HydrophobicContact CD1-CD2 4.5Å; Y293-L304 HydrophobicContact CE1-CD2 4.15Å; F296-L304 HydrophobicContact CD2-CD2 4.32Å; F296-L304 HydrophobicContact CE2-CD2 4.11Å; L300-L304 PolarHBondContact O-N 3Å; L300-L304 VanDerWaalsContact O-N 3.08Å; W301-L304 HydrophobicContact CE3-CD2 4.27Å; W301-L304 HydrophobicContact CZ3-CD2 4.2Å; W301-L304 PolarHBondContact O-N 2.9Å; L302-L304 VanDerWaalsContact C-N 3.33Å; L302-L304 PolarHBondContact O-N 3.18Å; L304-T308 PolarHBondContact O-N 3.31Å; L304-T308 VanDerWaalsContact O-N 3.17Å; L304-T308 PolarHBondContact O-OG1 2.93Å
305I86.6Confident83.8Confident4 Ų471.3 Ų71.32%0.02136%0.362CS..Hα-helixtrans-70.5-39.9-179.9-75-57000111.9F207 W301 L302 H307 T308 F309F207-I305 HydrophobicContact CD1-CD1 3.98Å; F207-I305 HydrophobicContact CD1-CG1 4.42Å; F207-I305 HydrophobicContact CD1-CG2 4.36Å; F207-I305 HydrophobicContact CE1-CD1 3.59Å; F207-I305 HydrophobicContact CE1-CG1 4.37Å; F207-I305 HydrophobicContact CZ-CD1 4.37Å; W301-I305 HydrophobicContact CD2-CG1 3.87Å; W301-I305 HydrophobicContact CE3-CG1 4.19Å; W301-I305 HydrophobicContact CH2-CD1 3.45Å; W301-I305 VanDerWaalsContact CH2-CD1 3.45Å; W301-I305 HydrophobicContact CH2-CG1 3.7Å; W301-I305 HydrophobicContact CZ2-CD1 3.46Å; W301-I305 VanDerWaalsContact CZ2-CD1 3.46Å; W301-I305 HydrophobicContact CZ2-CG1 3.31Å; W301-I305 HydrophobicContact CZ3-CD1 4.06Å; W301-I305 HydrophobicContact CZ3-CG1 4.1Å; W301-I305 PolarHBondContact O-N 2.84Å; L302-I305 PolarHBondContact O-N 3.18Å; I305-H307 VanDerWaalsContact C-N 3.31Å; I305-H307 PolarHBondContact O-N 3.47Å; I305-T308 CarbonylContact O-C 3.57Å; I305-T308 WeakPolarHBondContact O-CA 3.2Å; I305-T308 PolarHBondContact O-N 3Å; I305-F309 HydrophobicContact CD1-CD2 4.33Å; I305-F309 HydrophobicContact CD1-CE2 4.09Å; I305-F309 HydrophobicContact CG2-CD2 3.74Å; I305-F309 HydrophobicContact CG2-CE2 4.2Å; I305-F309 HydrophobicContact CG2-CG 4.37Å; I305-F309 PolarHBondContact O-N 2.93Å
306E84Confident82.4Confident102 Ų10269 Ų6948%0.47735%0.352SS..Hα-helixtrans-55.3-48174.3-175.5173.4-163.800110.9L302 T308 F309 C310L302-E306 WeakPolarHBondContact O-CB 3.46Å; L302-E306 PolarHBondContact O-N 3.28Å; E306-T308 PolarHBondContact O-N 3.46Å; E306-F309 PolarHBondContact O-N 3.16Å; E306-C310 WeakPolarHBondContact O-CB 3.47Å; E306-C310 PolarHBondContact O-N 2.77Å
307H80.8Confident81.1Confident149 Ų14970.2 Ų70.269%0.6936%0.357SS*.Hα-helixtrans-61.4-32174.8-173-67.4000113.1K303 I305 P311K303-H307 PolarHBondContact O-N 2.83Å; I305-H307 VanDerWaalsContact C-N 3.31Å; I305-H307 PolarHBondContact O-N 3.47Å; H307-P311 VanDerWaalsContact O-CD 3.26Å; H307-P311 WeakPolarHBondContact O-CD 3.35Å
308T80.4Confident79.6Confident39 Ų3974.7 Ų74.724%0.23937%0.369CS..Hα-helixtrans-79-41.6-178.9-54.30000111.9L304 I305 E306 Y312L304-T308 PolarHBondContact O-N 3.31Å; L304-T308 VanDerWaalsContact O-N 3.17Å; L304-T308 PolarHBondContact O-OG1 2.93Å; I305-T308 CarbonylContact O-C 3.57Å; I305-T308 WeakPolarHBondContact O-CA 3.2Å; I305-T308 PolarHBondContact O-N 3Å; E306-T308 PolarHBondContact O-N 3.46Å; T308-Y312 WeakPolarHBondContact O-CD2 3.35Å; T308-Y312 VanDerWaalsContact O-CE2 3.22Å; T308-Y312 WeakPolarHBondContact O-CE2 3.36Å
309F78.9Confident77.9Confident10 Ų1074.3 Ų74.34%0.04438%0.38CS..Hα-helixtrans-92-25.5-172.9-82.7-108.1000113.5I148 F207 Y209 V210 F245 I305 E306 Y312 R313I148-F309 HydrophobicContact CD1-CD1 4.1Å; I148-F309 HydrophobicContact CD1-CE1 4.29Å; I148-F309 HydrophobicContact CG2-CB 4.39Å; I148-F309 HydrophobicContact CG2-CD1 3.74Å; F207-F309 AromaticContact CD1-CE2 3.75Å; F207-F309 HydrophobicContact CD1-CE2 3.75Å; F207-F309 AromaticContact CD1-CZ 3.74Å; F207-F309 HydrophobicContact CD1-CZ 3.74Å; F207-F309 AromaticContact CE1-CE2 3.96Å; F207-F309 HydrophobicContact CE1-CE2 3.96Å; F207-F309 HydrophobicContact CE1-CZ 4.14Å; Y209-F309 HydrophobicContact CD2-CB 3.85Å; Y209-F309 HydrophobicContact CE2-CB 4.4Å; V210-F309 HydrophobicContact CG1-CD1 4.34Å; V210-F309 HydrophobicContact CG1-CE1 3.85Å; V210-F309 HydrophobicContact CG2-CE1 4.09Å; F245-F309 HydrophobicContact CZ-CE2 4.28Å; F245-F309 HydrophobicContact CZ-CZ 4.11Å; I305-F309 HydrophobicContact CD1-CD2 4.33Å; I305-F309 HydrophobicContact CD1-CE2 4.09Å; I305-F309 HydrophobicContact CG2-CD2 3.74Å; I305-F309 HydrophobicContact CG2-CE2 4.2Å; I305-F309 HydrophobicContact CG2-CG 4.37Å; I305-F309 PolarHBondContact O-N 2.93Å; E306-F309 PolarHBondContact O-N 3.16Å; F309-Y312 PolarHBondContact O-N 3.31Å; F309-Y312 VanDerWaalsContact O-N 3.08Å; F309-R313 PolarHBondContact O-N 3.24Å
310C76.4Confident75.8Confident41 Ų4178.6 Ų78.628%0.27740%0.396SS..Hα-helixtrans-56.4-44.6179.3-165.70000112.9E306 Y312 R313 E314E306-C310 WeakPolarHBondContact O-CB 3.47Å; E306-C310 PolarHBondContact O-N 2.77Å; C310-Y312 VanDerWaalsContact C-N 3.28Å; C310-Y312 PolarHBondContact O-N 3.33Å; C310-R313 WeakPolarHBondContact O-CB 3.46Å; C310-R313 PolarHBondContact O-N 3.33Å; C310-E314 WeakPolarHBondContact O-CG 3.33Å; C310-E314 PolarHBondContact O-N 3.46Å
311P73.5Confident75Confident59 Ų5978.5 Ų78.538%0.38340%0.395SS..Hα-helixtrans-60.5-35.4175.7-24.435.3000113.6H307 Q315H307-P311 VanDerWaalsContact O-CD 3.26Å; H307-P311 WeakPolarHBondContact O-CD 3.35Å; P311-Q315 VanDerWaalsContact O-CG 3.28Å; P311-Q315 WeakPolarHBondContact O-CG 3.38Å; P311-Q315 PolarHBondContact O-N 3.44Å; P311-Q315 VanDerWaalsContact O-N 3.09Å
312Y72.1Confident74.1Confident77 Ų7782.6 Ų82.630%0.30242%0.416SS..Hα-helixtrans-74.7-36.6177.6-62.9-76.1000112.1M254 T308 F309 C310 Q315 S316M254-Y312 WeakPolarHBondContact CE-OH 3.4Å; T308-Y312 WeakPolarHBondContact O-CD2 3.35Å; T308-Y312 VanDerWaalsContact O-CE2 3.22Å; T308-Y312 WeakPolarHBondContact O-CE2 3.36Å; F309-Y312 PolarHBondContact O-N 3.31Å; F309-Y312 VanDerWaalsContact O-N 3.08Å; C310-Y312 VanDerWaalsContact C-N 3.28Å; C310-Y312 PolarHBondContact O-N 3.33Å; Y312-Q315 WeakPolarHBondContact O-CB 3.27Å; Y312-Q315 PolarHBondContact O-N 3.09Å; Y312-S316 PolarHBondContact O-N 3.3Å; Y312-S316 PolarHBondContact O-OG 3.07Å
313R75Confident73.2Confident39 Ų3983.8 Ų83.815%0.14742%0.422CS..Hα-helixtrans-60-45.3172177.1177.5-176.8-141.8-1.6111.3I148 E149 E154 F309 C310 Q315 S316 K317I148-R313 HydrophobicContact CG2-CB 4.2Å; I148-R313 WeakPolarHBondContact O-CB 3.46Å; I148-R313 WeakPolarHBondContact O-CG 3.45Å; E149-R313 IonicContact OE1-CZ 3.23Å; E149-R313 IonicContact OE1-NE 3.6Å; E149-R313 PolarHBondContact OE1-NE 3.38Å; E149-R313 IonicContact OE1-NH2 2.68Å; E149-R313 PolarHBondContact OE1-NH2 2.7Å; E149-R313 IonicContact OE2-NE 3.09Å; E149-R313 IonicContact OE2-NH2 3.73Å; E154-R313 IonicContact OE1-NH2 3.33Å; E154-R313 PolarHBondContact OE1-NH2 2.67Å; E154-R313 IonicContact OE2-NH2 2.69Å; F309-R313 PolarHBondContact O-N 3.24Å; C310-R313 WeakPolarHBondContact O-CB 3.46Å; C310-R313 PolarHBondContact O-N 3.33Å; R313-Q315 VanDerWaalsContact C-N 3.31Å; R313-Q315 PolarHBondContact O-N 3.31Å; R313-S316 WeakPolarHBondContact CA-OG 3.49Å; R313-S316 PolarHBondContact O-N 2.83Å; R313-S316 PolarHBondContact O-OG 2.69Å; R313-K317 WeakPolarHBondContact O-CG 3.44Å; R313-K317 PolarHBondContact O-N 3.01Å; R313-K317 VanDerWaalsContact O-N 3.16Å
314E74.5Confident72.3Confident112 Ų11279.9 Ų79.952%0.52341%0.408SS..Hα-helixtrans-65.1-34.3176.1-71.7-179.7-178.600112.6C310 K317C310-E314 WeakPolarHBondContact O-CG 3.33Å; C310-E314 PolarHBondContact O-N 3.46Å; E314-K317 PolarHBondContact O-N 3.47Å
315Q66.8Low71.2Confident120 Ų12080.9 Ų80.956%0.56141%0.412SS*.Hα-helixtrans-67.2-43173.3-75.71728.100111.9P311 Y312 R313 K317 K318P311-Q315 VanDerWaalsContact O-CG 3.28Å; P311-Q315 WeakPolarHBondContact O-CG 3.38Å; P311-Q315 PolarHBondContact O-N 3.44Å; P311-Q315 VanDerWaalsContact O-N 3.09Å; Y312-Q315 WeakPolarHBondContact O-CB 3.27Å; Y312-Q315 PolarHBondContact O-N 3.09Å; R313-Q315 VanDerWaalsContact C-N 3.31Å; R313-Q315 PolarHBondContact O-N 3.31Å; Q315-K317 PolarHBondContact O-N 3.27Å; Q315-K318 PolarHBondContact O-N 3.34Å; Q315-K318 VanDerWaalsContact O-N 3.09Å
316S63.4Low70.2Confident27 Ų2786 Ų8619%0.18944%0.438CS..Hα-helixtrans-63.2-28.6176.551.10000113Y312 R313 K318Y312-S316 PolarHBondContact O-N 3.3Å; Y312-S316 PolarHBondContact O-OG 3.07Å; R313-S316 WeakPolarHBondContact CA-OG 3.49Å; R313-S316 PolarHBondContact O-N 2.83Å; R313-S316 PolarHBondContact O-OG 2.69Å; S316-K318 VanDerWaalsContact C-N 3.29Å; S316-K318 PolarHBondContact O-N 2.76Å
317K65.3Low69.2Low91 Ų9184.9 Ų84.940%0.39644%0.436SS..THydrogen-bonded Turntrans-73.4-15175-72-173.8175-161.20114.4E149 E154 R313 E314 Q315E149-K317 WeakPolarHBondContact OE2-CE 2.83Å; E149-K317 IonicContact OE2-NZ 3.1Å; E154-K317 IonicContact OE1-NZ 2.78Å; E154-K317 IonicContact OE2-NZ 3.23Å; E154-K317 PolarHBondContact OE2-NZ 2.78Å; R313-K317 WeakPolarHBondContact O-CG 3.44Å; R313-K317 PolarHBondContact O-N 3.01Å; R313-K317 VanDerWaalsContact O-N 3.16Å; E314-K317 PolarHBondContact O-N 3.47Å; Q315-K317 PolarHBondContact O-N 3.27Å
318K59.3Low68.3Low171 Ų17179.9 Ų79.974%0.74342%0.416SS*.THydrogen-bonded Turntrans-98.6-9.5-179.8-70177.7-178.2175.70113.5Q315 S316Q315-K318 PolarHBondContact O-N 3.34Å; Q315-K318 VanDerWaalsContact O-N 3.09Å; S316-K318 VanDerWaalsContact C-N 3.29Å; S316-K318 PolarHBondContact O-N 2.76Å
319A55.4Low67.3Low86 Ų8683.3 Ų83.371%0.71143%0.431SS*.  trans-88.7-10.4-176.300000113.4
320D47.4Very low66.3Low167 Ų16790 Ų9089%0.89347%0.466SS*.  trans-101.90170.9-56.7-42.6000110.4N156N156-D320 PolarHBondContact ND2-OD2 3.27Å; N156-D320 PolarHBondContact OD1-OD2 2.67Å

Retrieved 320 of 320 residues in 439.9 ms (Link to these results)

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