A0A3Q0KL03_SCHMA Loading...

Deoxyribodipyrimidine photo-lyase

Involved in repair of UV radiation-induced DNA damage. Catalyzes the light-dependent monomerization (300-600 nm) of cyclobutyl pyrimidine dimers (in cis-syn configuration), which are formed between adjacent bases on the same DNA strand upon exposure to ultraviolet radiation.

AlphaFold DB , UniProt , Accession A0A3Q0KL03, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 533 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
1M41.1Very low78.3Confident235 Ų23585.8 Ų85.8100%1.15846%0.464SS*.  0117.90-66.8-139.6-79.500106.9V3M1-V3 PolarHBondContact O-N 3.45Å
2A50.4Low79.8Confident77 Ų7781.1 Ų81.164%0.63644%0.438SS*.  trans-62.8116.6-165.500000110.6L4A2-L4 VanDerWaalsContact C-N 3.26Å; A2-L4 VanDerWaalsContact CB-O 3.25Å; A2-L4 WeakPolarHBondContact CB-O 3.49Å
3V66Low81Confident54 Ų5480.5 Ų80.533%0.32744%0.435SS..SBendtrans-76.6-19.4-179.2177.60000111.1M1 V353 H356 F357M1-V3 PolarHBondContact O-N 3.45Å; V3-V353 HydrophobicContact CG1-CB 3.83Å; V3-V353 HydrophobicContact CG1-CG1 3.67Å; V3-H356 HydrophobicContact CG1-CB 3.74Å; V3-H356 HydrophobicContact CG2-CB 4.13Å; V3-F357 HydrophobicContact CG1-CE2 3.76Å; V3-F357 HydrophobicContact CG1-CZ 4.41Å
4L74.5Confident82.1Confident24 Ų2476.8 Ų76.813%0.12642%0.424CS..SBendtrans-129.3167.5168.7-76.7100.9000109A2 W11 Y307 I310 V353A2-L4 VanDerWaalsContact C-N 3.26Å; A2-L4 VanDerWaalsContact CB-O 3.25Å; A2-L4 WeakPolarHBondContact CB-O 3.49Å; L4-W11 HydrophobicContact CD2-CG 4.44Å; L4-Y307 HydrophobicContact CB-CE2 4.22Å; L4-Y307 HydrophobicContact CD2-CD2 3.85Å; L4-Y307 HydrophobicContact CD2-CE2 4Å; L4-I310 HydrophobicContact CD1-CB 4.26Å; L4-I310 HydrophobicContact CD1-CG2 3.41Å; L4-I310 VanDerWaalsContact CD1-CG2 3.41Å; L4-I310 HydrophobicContact CD2-CB 4.11Å; L4-I310 HydrophobicContact CD2-CG2 3.89Å; L4-I310 HydrophobicContact CG-CG2 4.18Å; L4-V353 HydrophobicContact CD1-CG1 4.22Å; L4-V353 HydrophobicContact CG-CG1 4.42Å
5A78.1Confident83.1Confident36 Ų3671.7 Ų71.730%0.29840%0.396SS..  trans-52.3154.7166.500000111T7 E10 W11 Y307A5-T7 VanDerWaalsContact C-N 3.3Å; A5-T7 PolarHBondContact O-N 2.74Å; A5-E10 HydrophobicContact CB-CB 3.72Å; A5-W11 HydrophobicContact CB-CB 4.01Å; A5-Y307 PolarHBondContact O-OH 3.45Å; A5-Y307 VanDerWaalsContact O-OH 3.06Å
6E79.2Confident83.9Confident165 Ų16572.7 Ų72.777%0.77140%0.397SS*.SBendtrans-71-33.2-174.4-65.6-169.7167.400111.2E10 Y307E6-E10 PolarHBondContact N-OE2 3.45Å; E6-Y307 PolarHBondContact O-OH 3.25Å
7T92.5Very high84.6Confident65 Ų6574.1 Ų74.140%0.39940%0.404SS..SBendtrans-117.9156.717971.60000112.4A5 H9 E10 W11A5-T7 VanDerWaalsContact C-N 3.3Å; A5-T7 PolarHBondContact O-N 2.74Å; T7-H9 VanDerWaalsContact C-N 3.25Å; T7-H9 PolarHBondContact O-N 3.33Å; T7-E10 PolarHBondContact N-OE2 3.33Å; T7-E10 VanDerWaalsContact OG1-CG 3.26Å; T7-E10 WeakPolarHBondContact OG1-CG 3.1Å; T7-E10 PolarHBondContact OG1-N 3.31Å; T7-E10 PolarHBondContact OG1-OE2 3.32Å; T7-W11 PolarHBondContact O-N 3.02Å
8V93.8Very high85.2Confident48 Ų4873.7 Ų73.729%0.29140%0.398SS..Hα-helixtrans-63.5-33.6174.466.70000111.9W11 L12 E304 Y307V8-W11 PolarHBondContact O-N 2.74Å; V8-L12 HydrophobicContact CG2-CD1 4.33Å; V8-L12 HydrophobicContact CG2-CG 4.44Å; V8-L12 VanDerWaalsContact O-CG 3.28Å; V8-L12 WeakPolarHBondContact O-CG 3.45Å; V8-L12 PolarHBondContact O-N 3.47Å; V8-E304 HydrophobicContact CG2-CB 4.32Å; V8-E304 HydrophobicContact CG2-CG 3.83Å; V8-Y307 HydrophobicContact CB-CD1 3.64Å; V8-Y307 HydrophobicContact CB-CE1 3.81Å; V8-Y307 HydrophobicContact CB-CG 4.14Å; V8-Y307 HydrophobicContact CG2-CD1 3.7Å; V8-Y307 HydrophobicContact CG2-CE1 4.39Å; V8-Y307 HydrophobicContact CG2-CG 3.84Å
9H94.9Very high85.8Confident125 Ų12570.8 Ų70.858%0.57938%0.38SS*.Hα-helixtrans-65.7-50-179.9-168.462.2000111.5T7 W11 L12 D13T7-H9 VanDerWaalsContact C-N 3.25Å; T7-H9 PolarHBondContact O-N 3.33Å; H9-W11 PolarHBondContact O-N 3.02Å; H9-L12 PolarHBondContact O-N 2.99Å; H9-L12 VanDerWaalsContact O-N 3.12Å; H9-D13 IonicContact CD2-OD2 2.6Å; H9-D13 IonicContact NE2-OD2 3.08Å; H9-D13 PolarHBondContact O-N 3.29Å
10E95.5Very high86.3Confident95 Ų9571.4 Ų71.444%0.44438%0.383SS..Hα-helixtrans-59-34.9174.4-70.4168163.200112.3A5 E6 T7 G14A5-E10 HydrophobicContact CB-CB 3.72Å; E6-E10 PolarHBondContact N-OE2 3.45Å; T7-E10 PolarHBondContact N-OE2 3.33Å; T7-E10 VanDerWaalsContact OG1-CG 3.26Å; T7-E10 WeakPolarHBondContact OG1-CG 3.1Å; T7-E10 PolarHBondContact OG1-N 3.31Å; T7-E10 PolarHBondContact OG1-OE2 3.32Å; E10-G14 PolarHBondContact O-N 2.84Å
11W95.5Very high86.8Confident20 Ų2072.7 Ų72.78%0.07640%0.397CS..Hα-helixtrans-69.1-41.6176.9-172.773.1000112.3L4 A5 T7 V8 H9 G14 I15 L303 L306 Y307 I310 E349L4-W11 HydrophobicContact CD2-CG 4.44Å; A5-W11 HydrophobicContact CB-CB 4.01Å; T7-W11 PolarHBondContact O-N 3.02Å; V8-W11 PolarHBondContact O-N 2.74Å; H9-W11 PolarHBondContact O-N 3.02Å; W11-G14 WeakPolarHBondContact O-CA 3.45Å; W11-G14 PolarHBondContact O-N 3.25Å; W11-I15 HydrophobicContact CD2-CD1 4.2Å; W11-I15 HydrophobicContact CE3-CD1 3.85Å; W11-I15 HydrophobicContact CH2-CD1 3.6Å; W11-I15 HydrophobicContact CZ2-CD1 3.94Å; W11-I15 HydrophobicContact CZ3-CD1 3.53Å; W11-I15 PolarHBondContact O-N 3.08Å; W11-L303 HydrophobicContact CZ3-CB 4.28Å; W11-L303 HydrophobicContact CZ3-CD2 4.45Å; W11-L303 WeakPolarHBondContact CZ3-O 3.42Å; W11-L306 HydrophobicContact CH2-CB 4.36Å; W11-L306 HydrophobicContact CH2-CD2 3.79Å; W11-L306 HydrophobicContact CH2-CG 3.88Å; W11-Y307 HydrophobicContact CB-CD2 3.74Å; W11-Y307 HydrophobicContact CB-CE2 3.86Å; W11-Y307 AromaticContact CD2-CD2 3.68Å; W11-Y307 HydrophobicContact CD2-CD2 3.68Å; W11-Y307 HydrophobicContact CD2-CG 4.4Å; W11-Y307 AromaticContact CE3-CD2 3.98Å; W11-Y307 HydrophobicContact CE3-CD2 3.98Å; W11-Y307 HydrophobicContact CE3-CG 4.25Å; W11-Y307 AromaticContact CG-CD2 3.58Å; W11-Y307 HydrophobicContact CG-CD2 3.58Å; W11-Y307 HydrophobicContact CG-CE2 4.03Å; W11-I310 HydrophobicContact CZ2-CD1 4.2Å; W11-E349 HydrophobicContact CH2-CB 4.48Å; W11-E349 HydrophobicContact CH2-CG 4.08Å; W11-E349 HydrophobicContact CZ2-CB 3.78Å; W11-E349 HydrophobicContact CZ2-CG 3.56Å
12L96.3Very high89.4Confident29 Ų2963.8 Ų63.815%0.15236%0.356CS..Hα-helixtrans-63.5-42.9174-69.9171.8000111.5V8 H9 G14 I15 H16 L303V8-L12 HydrophobicContact CG2-CD1 4.33Å; V8-L12 HydrophobicContact CG2-CG 4.44Å; V8-L12 VanDerWaalsContact O-CG 3.28Å; V8-L12 WeakPolarHBondContact O-CG 3.45Å; V8-L12 PolarHBondContact O-N 3.47Å; H9-L12 PolarHBondContact O-N 2.99Å; H9-L12 VanDerWaalsContact O-N 3.12Å; L12-G14 VanDerWaalsContact C-N 3.26Å; L12-G14 PolarHBondContact O-N 2.92Å; L12-I15 WeakPolarHBondContact O-CB 3.24Å; L12-I15 PolarHBondContact O-N 3.37Å; L12-I15 VanDerWaalsContact O-N 3.09Å; L12-H16 PolarHBondContact O-N 3.11Å; L12-L303 HydrophobicContact CD2-CB 3.55Å; L12-L303 HydrophobicContact CD2-CD1 3.71Å; L12-L303 HydrophobicContact CD2-CG 4.23Å
13D95.7Very high91.6Very high74 Ų7460.7 Ų60.740%0.39633%0.331SS..Hα-helixtrans-60.6-39.3173-70.7-18.6000111.2H9 I15 H16 N17H9-D13 IonicContact CD2-OD2 2.6Å; H9-D13 IonicContact NE2-OD2 3.08Å; H9-D13 PolarHBondContact O-N 3.29Å; D13-I15 VanDerWaalsContact C-N 3.32Å; D13-I15 PolarHBondContact O-N 3.43Å; D13-H16 PolarHBondContact O-N 3.12Å; D13-N17 WeakPolarHBondContact O-CB 3.44Å; D13-N17 VanDerWaalsContact O-CG 3.27Å; D13-N17 PolarHBondContact O-N 3.26Å; D13-N17 PolarHBondContact O-ND2 2.81Å; D13-N17 VanDerWaalsContact O-ND2 3.11Å
14G95.8Very high92.9Very high28 Ų2861.5 Ų61.529%0.28934%0.339SS..Hα-helixtrans-57.1-42.6172.300000112.9E10 W11 L12 N17 K18E10-G14 PolarHBondContact O-N 2.84Å; W11-G14 WeakPolarHBondContact O-CA 3.45Å; W11-G14 PolarHBondContact O-N 3.25Å; L12-G14 VanDerWaalsContact C-N 3.26Å; L12-G14 PolarHBondContact O-N 2.92Å; G14-N17 PolarHBondContact O-N 2.91Å; G14-K18 WeakPolarHBondContact O-CG 3.31Å; G14-K18 PolarHBondContact O-N 3.18Å
15I96.7Very high93.8Very high1 Ų160.6 Ų60.61%0.00534%0.335CS..Hα-helixtrans-64.4-44.9174.9-68.4171.7000110.7W11 L12 D13 N17 K18 R19 L303 E349W11-I15 HydrophobicContact CD2-CD1 4.2Å; W11-I15 HydrophobicContact CE3-CD1 3.85Å; W11-I15 HydrophobicContact CH2-CD1 3.6Å; W11-I15 HydrophobicContact CZ2-CD1 3.94Å; W11-I15 HydrophobicContact CZ3-CD1 3.53Å; W11-I15 PolarHBondContact O-N 3.08Å; L12-I15 WeakPolarHBondContact O-CB 3.24Å; L12-I15 PolarHBondContact O-N 3.37Å; L12-I15 VanDerWaalsContact O-N 3.09Å; D13-I15 VanDerWaalsContact C-N 3.32Å; D13-I15 PolarHBondContact O-N 3.43Å; I15-N17 PolarHBondContact O-N 2.86Å; I15-K18 PolarHBondContact O-N 2.8Å; I15-R19 WeakPolarHBondContact O-CG 3.42Å; I15-R19 PolarHBondContact O-N 3.38Å; I15-R19 VanDerWaalsContact O-N 3.11Å; I15-L303 HydrophobicContact CD1-CD2 4.05Å; I15-E349 HydrophobicContact CD1-CG 4.42Å
16H95.6Very high94.5Very high87 Ų8758.9 Ų58.940%0.40332%0.32SS..Hα-helixtrans-60-45.4177.5-178.571.6000111.9L12 D13 K18 R19 L20L12-H16 PolarHBondContact O-N 3.11Å; D13-H16 PolarHBondContact O-N 3.12Å; H16-K18 VanDerWaalsContact C-N 3.35Å; H16-K18 PolarHBondContact O-N 3.27Å; H16-R19 WeakPolarHBondContact O-CB 3.47Å; H16-R19 PolarHBondContact O-N 2.88Å; H16-R19 VanDerWaalsContact O-N 3.14Å; H16-L20 WeakPolarHBondContact NE2-CD1 3.32Å; H16-L20 PolarHBondContact O-N 2.73Å; H16-L20 VanDerWaalsContact O-N 3.08Å
17N95.9Very high95Very high96 Ų9654.8 Ų54.851%0.51330%0.301SS..Hα-helixtrans-63.1-38.2177.4-71.7-35.1000112.5D13 G14 I15 R19 L20 S21D13-N17 WeakPolarHBondContact O-CB 3.44Å; D13-N17 VanDerWaalsContact O-CG 3.27Å; D13-N17 PolarHBondContact O-N 3.26Å; D13-N17 PolarHBondContact O-ND2 2.81Å; D13-N17 VanDerWaalsContact O-ND2 3.11Å; G14-N17 PolarHBondContact O-N 2.91Å; I15-N17 PolarHBondContact O-N 2.86Å; N17-R19 VanDerWaalsContact C-N 3.33Å; N17-R19 PolarHBondContact O-N 3.41Å; N17-L20 PolarHBondContact O-N 3.01Å; N17-S21 WeakPolarHBondContact O-CB 3.29Å; N17-S21 PolarHBondContact O-N 3.41Å
18K96Very high95Very high68 Ų6856.9 Ų56.930%0.29631%0.31SS..Hα-helixtrans-60-43.3172.9-74.9176.1-166.8175.20111.5G14 I15 H16 S21 T22 E349G14-K18 WeakPolarHBondContact O-CG 3.31Å; G14-K18 PolarHBondContact O-N 3.18Å; I15-K18 PolarHBondContact O-N 2.8Å; H16-K18 VanDerWaalsContact C-N 3.35Å; H16-K18 PolarHBondContact O-N 3.27Å; K18-S21 WeakPolarHBondContact CA-OG 3.5Å; K18-S21 PolarHBondContact O-N 3.05Å; K18-S21 PolarHBondContact O-OG 2.9Å; K18-T22 PolarHBondContact O-N 3.23Å; K18-T22 PolarHBondContact O-OG1 2.73Å; K18-E349 VanDerWaalsContact NZ-CD 3.31Å; K18-E349 IonicContact NZ-OE1 3.02Å; K18-E349 PolarHBondContact NZ-OE1 3.03Å; K18-E349 IonicContact NZ-OE2 3.03Å; K18-E349 PolarHBondContact NZ-OE2 3.21Å
19R97.4Very high94.9Very high18 Ų1855.6 Ų55.67%0.06830%0.301CS..Hα-helixtrans-58.6-51.7176.3-65.9173.7-175.2138.2-0.3110.9I15 H16 N17 S21 T22 A23 D69 F255 P257I15-R19 WeakPolarHBondContact O-CG 3.42Å; I15-R19 PolarHBondContact O-N 3.38Å; I15-R19 VanDerWaalsContact O-N 3.11Å; H16-R19 WeakPolarHBondContact O-CB 3.47Å; H16-R19 PolarHBondContact O-N 2.88Å; H16-R19 VanDerWaalsContact O-N 3.14Å; N17-R19 VanDerWaalsContact C-N 3.33Å; N17-R19 PolarHBondContact O-N 3.41Å; R19-S21 VanDerWaalsContact C-N 3.27Å; R19-S21 PolarHBondContact O-N 3.08Å; R19-T22 VanDerWaalsContact O-CB 3.31Å; R19-T22 WeakPolarHBondContact O-CB 3.44Å; R19-T22 PolarHBondContact O-N 3.03Å; R19-A23 PolarHBondContact O-N 3.28Å; R19-D69 IonicContact CZ-OD1 3.42Å; R19-D69 IonicContact CZ-OD2 3.61Å; R19-D69 IonicContact NE-OD1 3.61Å; R19-D69 PolarHBondContact NE-OD1 2.83Å; R19-D69 IonicContact NE-OD2 2.77Å; R19-D69 IonicContact NH2-OD1 2.65Å; R19-D69 PolarHBondContact NH2-OD1 3.33Å; R19-D69 IonicContact NH2-OD2 3.56Å; R19-D69 PolarHBondContact NH2-OD2 3.25Å; R19-F255 VanDerWaalsContact CA-O 3.29Å; R19-F255 WeakPolarHBondContact CA-O 3.31Å; R19-P257 HydrophobicContact CB-CB 4.2Å; R19-P257 WeakPolarHBondContact O-CD 3.42Å
20L95.9Very high94.9Very high82 Ų8257.8 Ų57.843%0.42931%0.308SS..Hα-helixtrans-58.1-37.6177.5-69174.5000113H16 N17 T22 A23 P257H16-L20 WeakPolarHBondContact NE2-CD1 3.32Å; H16-L20 PolarHBondContact O-N 2.73Å; H16-L20 VanDerWaalsContact O-N 3.08Å; N17-L20 PolarHBondContact O-N 3.01Å; L20-T22 VanDerWaalsContact C-N 3.29Å; L20-T22 PolarHBondContact O-N 2.79Å; L20-A23 CarbonylContact O-C 3.57Å; L20-P257 HydrophobicContact CD2-CG 4.21Å
21S95.8Very high94.9Very high99 Ų9954.2 Ų54.269%0.69229%0.291SS*.Hα-helixtrans-71.3-23.8176.976.80000113.5N17 K18 R19N17-S21 WeakPolarHBondContact O-CB 3.29Å; N17-S21 PolarHBondContact O-N 3.41Å; K18-S21 WeakPolarHBondContact CA-OG 3.5Å; K18-S21 PolarHBondContact O-N 3.05Å; K18-S21 PolarHBondContact O-OG 2.9Å; R19-S21 VanDerWaalsContact C-N 3.27Å; R19-S21 PolarHBondContact O-N 3.08Å
22T96.2Very high94.9Very high48 Ų4855.5 Ų55.529%0.29430%0.298SS..Hα-helixtrans-75.6-43.9-178.6-60.90000111.3K18 R19 L20 F29 D254K18-T22 PolarHBondContact O-N 3.23Å; K18-T22 PolarHBondContact O-OG1 2.73Å; R19-T22 VanDerWaalsContact O-CB 3.31Å; R19-T22 WeakPolarHBondContact O-CB 3.44Å; R19-T22 PolarHBondContact O-N 3.03Å; L20-T22 VanDerWaalsContact C-N 3.29Å; L20-T22 PolarHBondContact O-N 2.79Å; T22-F29 HydrophobicContact CG2-CD2 3.88Å; T22-F29 HydrophobicContact CG2-CE2 3.66Å; T22-D254 HydrophobicContact CG2-CB 4.3Å; T22-D254 WeakPolarHBondContact OG1-CB 3.23Å
23A96Very high94.9Very high13 Ų1362.4 Ų62.411%0.10733%0.327CS..  trans-164158.8168.600000109.9R19 L20 S25 F29 P256 P257R19-A23 PolarHBondContact O-N 3.28Å; L20-A23 CarbonylContact O-C 3.57Å; A23-S25 VanDerWaalsContact C-N 3.28Å; A23-S25 PolarHBondContact O-N 3.11Å; A23-F29 HydrophobicContact CB-CB 3.85Å; A23-F29 HydrophobicContact CB-CD2 4.27Å; A23-P256 HydrophobicContact CB-CB 4.02Å; A23-P257 WeakPolarHBondContact O-CD 3.41Å
24S93.9Very high94.9Very high71 Ų7161 Ų6150%0.49732%0.323SS..SBendtrans-71-23.1174.667.30000113.5N28S24-N28 PolarHBondContact OG-ND2 2.86Å
25S93.8Very high95Very high4 Ų459.8 Ų59.83%0.02831%0.31CS..SBendtrans-164.3170.4-178.169.40000111.3A23 E27 N28 F29A23-S25 VanDerWaalsContact C-N 3.28Å; A23-S25 PolarHBondContact O-N 3.11Å; S25-E27 PolarHBondContact O-N 3.47Å; S25-E27 PolarHBondContact OG-N 3.14Å; S25-N28 PolarHBondContact O-N 3.46Å; S25-N28 PolarHBondContact OG-N 3.48Å; S25-F29 PolarHBondContact O-N 3.2Å
26A91.9Very high95.1Very high0 Ų061.1 Ų61.10%032%0.317CS..THydrogen-bonded Turntrans-59.3-26.7171.600000113.9I74 Q77 R78A26-I74 HydrophobicContact CB-CG2 3.89Å; A26-I74 WeakPolarHBondContact CB-O 3.41Å; A26-Q77 HydrophobicContact CB-CB 4.36Å; A26-Q77 HydrophobicContact CB-CG 4.38Å; A26-R78 HydrophobicContact CB-CB 4.2Å; A26-R78 PolarHBondContact O-NH1 3.16Å
27E90.6Very high95.1Very high80 Ų8060.3 Ų60.337%0.37431%0.31SS..THydrogen-bonded Turntrans-71.9-43178.1-176.9175.4-146.600112.3S25 F29 R78 M81S25-E27 PolarHBondContact O-N 3.47Å; S25-E27 PolarHBondContact OG-N 3.14Å; E27-F29 VanDerWaalsContact C-N 3.3Å; E27-F29 PolarHBondContact O-N 3.28Å; E27-R78 PolarHBondContact O-NH1 2.99Å; E27-R78 PolarHBondContact O-NH2 3.43Å; E27-M81 HydrophobicContact CB-CE 4.03Å; E27-M81 HydrophobicContact CB-SD 4.27Å
28N91.3Very high95.2Very high108 Ų10860.2 Ų60.258%0.57831%0.306SS*.THydrogen-bonded Turntrans-83.7-7-176.8-67.8-25.5000113.5S24 S25S24-N28 PolarHBondContact OG-ND2 2.86Å; S25-N28 PolarHBondContact O-N 3.46Å; S25-N28 PolarHBondContact OG-N 3.48Å
29F93.2Very high95.2Very high21 Ų2159.5 Ų59.59%0.09231%0.306CS..SBendtrans-79.3143.3175.6-178-107.5000112.7T22 A23 S25 E27 F31 W71 R78 P256T22-F29 HydrophobicContact CG2-CD2 3.88Å; T22-F29 HydrophobicContact CG2-CE2 3.66Å; A23-F29 HydrophobicContact CB-CB 3.85Å; A23-F29 HydrophobicContact CB-CD2 4.27Å; S25-F29 PolarHBondContact O-N 3.2Å; E27-F29 VanDerWaalsContact C-N 3.3Å; E27-F29 PolarHBondContact O-N 3.28Å; F29-F31 VanDerWaalsContact C-N 3.28Å; F29-F31 HydrophobicContact CD1-CB 4.24Å; F29-F31 PolarHBondContact O-N 3.42Å; F29-W71 HydrophobicContact CD1-CZ3 4.16Å; F29-W71 AromaticContact CE1-CH2 3.64Å; F29-W71 HydrophobicContact CE1-CH2 3.64Å; F29-W71 AromaticContact CE1-CZ3 3.46Å; F29-W71 HydrophobicContact CE1-CZ3 3.46Å; F29-W71 VanDerWaalsContact CE1-CZ3 3.46Å; F29-W71 AromaticContact CZ-CH2 3.71Å; F29-W71 HydrophobicContact CZ-CH2 3.71Å; F29-W71 HydrophobicContact CZ-CZ3 4.02Å; F29-R78 PolarHBondContact O-NH1 3.02Å; F29-P256 HydrophobicContact CB-CB 3.77Å; F29-P256 HydrophobicContact CB-CG 3.77Å; F29-P256 HydrophobicContact CD1-CG 3.83Å; F29-P256 HydrophobicContact CD2-CB 4.13Å; F29-P256 HydrophobicContact CD2-CG 4.07Å; F29-P256 HydrophobicContact CE1-CG 4.46Å; F29-P256 HydrophobicContact CG-CB 3.93Å; F29-P256 HydrophobicContact CG-CG 3.61Å
30K93.7Very high95.2Very high171 Ų17159.7 Ų59.774%0.74331%0.309SS*.  trans-77.477.1173.2-170.6-179.5178.9178.20110.8H32K30-H32 PolarHBondContact O-N 3.06Å
31F95.3Very high95Very high20 Ų2057 Ų579%0.08830%0.302CS..  trans-64.6129.4-179.5-169-81.9000112.5F29 K33 R35 I36 W71 I74 Y75 V218F29-F31 VanDerWaalsContact C-N 3.28Å; F29-F31 HydrophobicContact CD1-CB 4.24Å; F29-F31 PolarHBondContact O-N 3.42Å; F31-K33 PolarHBondContact O-N 3.09Å; F31-R35 HydrophobicContact CE1-CB 4.22Å; F31-R35 HydrophobicContact CZ-CB 4.2Å; F31-I36 HydrophobicContact CD1-CD1 4.2Å; F31-I36 HydrophobicContact CE1-CD1 3.59Å; F31-I36 HydrophobicContact CE1-CG1 3.81Å; F31-I36 HydrophobicContact CZ-CD1 4.45Å; F31-I36 HydrophobicContact CZ-CG1 4.34Å; F31-W71 HydrophobicContact CD2-CE3 4.18Å; F31-W71 HydrophobicContact CD2-CZ3 4.44Å; F31-W71 AromaticContact CE2-CE3 3.79Å; F31-W71 HydrophobicContact CE2-CE3 3.79Å; F31-W71 HydrophobicContact CE2-CZ3 4.5Å; F31-I74 HydrophobicContact CD2-CG2 3.91Å; F31-I74 HydrophobicContact CE2-CG2 4.09Å; F31-Y75 HydrophobicContact CD1-CD2 4.39Å; F31-Y75 HydrophobicContact CE1-CD2 4.09Å; F31-Y75 HydrophobicContact CZ-CD2 4.18Å; F31-Y75 HydrophobicContact CZ-CG 4.26Å; F31-V218 HydrophobicContact CZ-CG1 4.37Å
32H96.1Very high94.6Very high47 Ų4754.4 Ų54.422%0.21828%0.283CS..  trans-81.2102.2177-82-68.5000111.8K30 S34 R35 K250 F251K30-H32 PolarHBondContact O-N 3.06Å; H32-S34 PolarHBondContact O-N 3.43Å; H32-R35 WeakPolarHBondContact O-CB 3.48Å; H32-R35 WeakPolarHBondContact O-CG 3.32Å; H32-R35 PolarHBondContact O-N 2.84Å; H32-K250 PolarHBondContact CD2-O 3.44Å; H32-K250 VanDerWaalsContact CD2-O 3.23Å; H32-K250 PolarHBondContact NE2-O 3.29Å; H32-K250 VanDerWaalsContact NE2-O 3.12Å; H32-F251 HydrophobicContact CB-CE1 4.24Å
33K95.4Very high93.9Very high174 Ų17455.8 Ų55.876%0.75731%0.306SS*.G310 helixtrans-55.8-23.4-179.2-63.5-175.1-179.9-177.20115F31 R35 I36F31-K33 PolarHBondContact O-N 3.09Å; K33-R35 PolarHBondContact O-N 3.2Å; K33-R35 VanDerWaalsContact O-N 3.08Å; K33-I36 PolarHBondContact O-N 3.49Å
34S97Very high93Very high45 Ų4560.1 Ų60.132%0.31533%0.331SS..G310 helixtrans-61-14.7174.9-53.30000113.8H32 I36 W227 K250H32-S34 PolarHBondContact O-N 3.43Å; S34-I36 PolarHBondContact O-N 3.05Å; S34-W227 PolarHBondContact O-NE1 3.36Å; S34-K250 PolarHBondContact OG-NZ 2.74Å; S34-K250 VanDerWaalsContact OG-NZ 3.08Å
35R98.1Very high92.3Very high2 Ų258 Ų581%0.00831%0.314CS..G310 helixtrans-73.7-10.3172.3-60.6-169.3172.5-75-2.4113.9F31 H32 K33 V218 D219 N222 I223 P225 W227 F251F31-R35 HydrophobicContact CE1-CB 4.22Å; F31-R35 HydrophobicContact CZ-CB 4.2Å; H32-R35 WeakPolarHBondContact O-CB 3.48Å; H32-R35 WeakPolarHBondContact O-CG 3.32Å; H32-R35 PolarHBondContact O-N 2.84Å; K33-R35 PolarHBondContact O-N 3.2Å; K33-R35 VanDerWaalsContact O-N 3.08Å; R35-V218 HydrophobicContact CB-CG1 4.18Å; R35-V218 VanDerWaalsContact O-CA 3.31Å; R35-V218 WeakPolarHBondContact O-CA 3.25Å; R35-D219 PolarHBondContact O-N 3.06Å; R35-N222 PolarHBondContact NH1-O 3.29Å; R35-N222 VanDerWaalsContact NH1-O 3.17Å; R35-I223 PolarHBondContact NH1-O 3.35Å; R35-I223 PolarHBondContact NH2-O 3.19Å; R35-P225 HydrophobicContact CB-CG 4.09Å; R35-P225 HydrophobicContact CG-CG 3.71Å; R35-W227 WeakPolarHBondContact O-CZ2 3Å; R35-F251 HydrophobicContact CG-CD1 4.45Å; R35-F251 HydrophobicContact CG-CE1 4.22Å; R35-F251 PolarHBondContact NH2-O 3.26Å
36I97.8Very high91.3Very high30 Ų3059 Ų5915%0.15432%0.32CS..EExtended strand (participates in β ladder)trans-110.7138.3-171.7-52.3152.6000109.9F31 K33 S34 Y75 C216 E217 V218F31-I36 HydrophobicContact CD1-CD1 4.2Å; F31-I36 HydrophobicContact CE1-CD1 3.59Å; F31-I36 HydrophobicContact CE1-CG1 3.81Å; F31-I36 HydrophobicContact CZ-CD1 4.45Å; F31-I36 HydrophobicContact CZ-CG1 4.34Å; K33-I36 PolarHBondContact O-N 3.49Å; S34-I36 PolarHBondContact O-N 3.05Å; I36-Y75 HydrophobicContact CD1-CD1 4.32Å; I36-Y75 HydrophobicContact CD1-CD2 3.59Å; I36-Y75 HydrophobicContact CD1-CE1 4.01Å; I36-Y75 HydrophobicContact CD1-CE2 3.24Å; I36-Y75 HydrophobicContact CD1-CG 4.13Å; I36-Y75 VanDerWaalsContact CD1-CZ 3.46Å; I36-Y75 HydrophobicContact CG1-CD1 4.26Å; I36-Y75 HydrophobicContact CG1-CD2 4.24Å; I36-Y75 HydrophobicContact CG1-CE1 4.18Å; I36-Y75 HydrophobicContact CG1-CE2 4.18Å; I36-Y75 HydrophobicContact CG1-CG 4.28Å; I36-Y75 HydrophobicContact CG2-CE1 4.09Å; I36-C216 HydrophobicContact CG2-CB 3.95Å; I36-E217 CarbonylContact C-O 3.4Å; I36-E217 WeakPolarHBondContact CA-O 3.26Å; I36-V218 HydrophobicContact CG1-CG2 4.11Å
37R96.8Very high90.2Very high70 Ų7066.4 Ų66.426%0.26435%0.354SS..EExtended strand (participates in β ladder)trans-110.9131.5158.5-65.8-169.2-63.1179.3-3.2108.9L39 C216 E217 W227R37-L39 HydrophobicContact CB-CD2 4.41Å; R37-C216 CarbonylContact O-C 3.47Å; R37-C216 WeakPolarHBondContact O-CA 3.26Å; R37-E217 IonicContact CZ-OE2 3.62Å; R37-E217 PolarHBondContact N-O 3.22Å; R37-E217 IonicContact NE-OE2 3.2Å; R37-E217 PolarHBondContact NE-OE2 2.88Å; R37-E217 IonicContact NH2-OE1 3.51Å; R37-E217 PolarHBondContact NH2-OE1 3.24Å; R37-E217 IonicContact NH2-OE2 2.86Å; R37-E217 PolarHBondContact NH2-OE2 3.33Å; R37-E217 PolarHBondContact O-N 3.29Å; R37-W227 HydrophobicContact CG-CD2 3.94Å; R37-W227 HydrophobicContact CG-CE3 4.08Å; R37-W227 HydrophobicContact CG-CH2 3.74Å; R37-W227 HydrophobicContact CG-CZ2 3.58Å; R37-W227 HydrophobicContact CG-CZ3 4Å
38H96.5Very high88.8Confident93 Ų9368.4 Ų68.443%0.43136%0.362SS..EExtended strand (participates in β ladder)trans-83.9128.7166.1177.9-91.6000107.8S40 G41 P42H38-S40 PolarHBondContact CE1-O 3.19Å; H38-S40 VanDerWaalsContact CE1-O 3.23Å; H38-S40 PolarHBondContact NE2-O 2.9Å; H38-G41 PolarHBondContact CE1-O 2.92Å; H38-G41 PolarHBondContact NE2-O 3.2Å; H38-P42 PolarHBondContact NE2-O 3.23Å
39L97.2Very high87.3Confident54 Ų5470.7 Ų70.728%0.28337%0.374SS..EExtended strand (participates in β ladder)trans-102.6-48-174-62-177.4000112R37 V202 T206 F215 E217R37-L39 HydrophobicContact CB-CD2 4.41Å; L39-V202 HydrophobicContact CD1-CG1 3.42Å; L39-V202 VanDerWaalsContact CD1-CG1 3.42Å; L39-T206 HydrophobicContact CB-CG2 4.17Å; L39-F215 HydrophobicContact CB-CB 4.41Å; L39-F215 HydrophobicContact CB-CD1 4.14Å; L39-F215 HydrophobicContact CB-CG 4.37Å; L39-F215 HydrophobicContact CD1-CD1 3.77Å; L39-F215 HydrophobicContact CD1-CE1 3.67Å; L39-F215 HydrophobicContact CD1-CE2 4.41Å; L39-F215 HydrophobicContact CD1-CG 4.21Å; L39-F215 HydrophobicContact CD1-CZ 4.01Å; L39-F215 PolarHBondContact N-O 3.4Å; L39-E217 HydrophobicContact CD1-CB 3.88Å; L39-E217 HydrophobicContact CD2-CB 4.39Å; L39-E217 HydrophobicContact CG-CB 4.16Å
40S96.7Very high85.9Confident21 Ų2174.7 Ų74.715%0.14740%0.396CS..EExtended strand (participates in β ladder)trans-156.7172179.761.90000112.4H38 P214 F215H38-S40 PolarHBondContact CE1-O 3.19Å; H38-S40 VanDerWaalsContact CE1-O 3.23Å; H38-S40 PolarHBondContact NE2-O 2.9Å; S40-P214 WeakPolarHBondContact O-CA 3.42Å; S40-F215 PolarHBondContact O-N 2.84Å
41G91.7Very high84.9Confident26 Ų2668.2 Ų68.227%0.26838%0.378SS..SBendtrans77.6-173.2179.500000114.3H38 D211H38-G41 PolarHBondContact CE1-O 2.92Å; H38-G41 PolarHBondContact NE2-O 3.2Å; G41-D211 VanDerWaalsContact CA-O 3.26Å; G41-D211 WeakPolarHBondContact CA-O 3.3Å
42P87.7Confident84.1Confident45 Ų4569.3 Ų69.329%0.29238%0.383SS..  trans-67.4152.5-178.320.2-25.5000112H38 T44 D211 P214H38-P42 PolarHBondContact NE2-O 3.23Å; P42-T44 PolarHBondContact O-N 3.33Å; P42-D211 VanDerWaalsContact CD-O 3.22Å; P42-D211 WeakPolarHBondContact CD-O 3.41Å; P42-P214 HydrophobicContact CG-CG 3.89Å; P42-P214 WeakPolarHBondContact O-CB 3.43Å; P42-P214 WeakPolarHBondContact O-CG 3.46Å
43G81.4Confident83.4Confident77 Ų7767.1 Ų67.179%0.79437%0.373SS*.SBendtrans-76.52.1173.100000113.9
44T77.9Confident82.9Confident103 Ų10363.9 Ų63.963%0.63236%0.361SS*.SBendtrans-128.1153.1-177.452.40000109.7P42 P214P42-T44 PolarHBondContact O-N 3.33Å; T44-P214 WeakPolarHBondContact O-CG 3.3Å
45F77.9Confident82.4Confident28 Ų2862.1 Ų62.112%0.12335%0.35CS..PPolyproline II helixtrans-73146170.7-159.3-94.4000109.1V57 F83 V85 G186 C187F45-V57 HydrophobicContact CE2-CG2 4.09Å; F45-F83 HydrophobicContact CB-CD1 3.95Å; F45-F83 HydrophobicContact CB-CD2 3.89Å; F45-F83 HydrophobicContact CB-CE1 3.45Å; F45-F83 VanDerWaalsContact CB-CE1 3.45Å; F45-F83 HydrophobicContact CB-CE2 3.41Å; F45-F83 VanDerWaalsContact CB-CE2 3.41Å; F45-F83 HydrophobicContact CB-CG 4.16Å; F45-F83 HydrophobicContact CB-CZ 3.17Å; F45-F83 HydrophobicContact CD1-CB 4.12Å; F45-F83 AromaticContact CD1-CD1 3.8Å; F45-F83 HydrophobicContact CD1-CD1 3.8Å; F45-F83 AromaticContact CD1-CD2 3.95Å; F45-F83 HydrophobicContact CD1-CD2 3.95Å; F45-F83 HydrophobicContact CD1-CE1 4.21Å; F45-F83 HydrophobicContact CD1-CE2 4.36Å; F45-F83 AromaticContact CD1-CG 3.68Å; F45-F83 HydrophobicContact CD1-CG 3.68Å; F45-F83 HydrophobicContact CD1-CZ 4.49Å; F45-F83 AromaticContact CD2-CD2 3.57Å; F45-F83 HydrophobicContact CD2-CD2 3.57Å; F45-F83 AromaticContact CD2-CE2 3.7Å; F45-F83 HydrophobicContact CD2-CE2 3.7Å; F45-F83 HydrophobicContact CD2-CG 4.17Å; F45-F83 HydrophobicContact CD2-CZ 4.37Å; F45-F83 HydrophobicContact CE1-CB 4.04Å; F45-F83 HydrophobicContact CE1-CD2 4.4Å; F45-F83 HydrophobicContact CE1-CG 4.08Å; F45-F83 HydrophobicContact CE2-CD2 4.04Å; F45-F83 AromaticContact CG-CD1 3.94Å; F45-F83 HydrophobicContact CG-CD1 3.94Å; F45-F83 AromaticContact CG-CD2 3.53Å; F45-F83 HydrophobicContact CG-CD2 3.53Å; F45-F83 AromaticContact CG-CE1 3.97Å; F45-F83 HydrophobicContact CG-CE1 3.97Å; F45-F83 AromaticContact CG-CE2 3.58Å; F45-F83 HydrophobicContact CG-CE2 3.58Å; F45-F83 AromaticContact CG-CG 3.74Å; F45-F83 HydrophobicContact CG-CG 3.74Å; F45-F83 AromaticContact CG-CZ 3.81Å; F45-F83 HydrophobicContact CG-CZ 3.81Å; F45-F83 HydrophobicContact CZ-CB 4.37Å; F45-F83 HydrophobicContact CZ-CD2 4.43Å; F45-F83 HydrophobicContact CZ-CG 4.48Å; F45-V85 HydrophobicContact CZ-CG2 4.14Å; F45-G186 VanDerWaalsContact CE2-C 3.46Å; F45-G186 WeakPolarHBondContact CE2-O 3.49Å; F45-C187 HydrophobicContact CD2-CB 4.02Å; F45-C187 HydrophobicContact CE2-CB 3.77Å
46P73.8Confident82.3Confident24 Ų2462 Ų6216%0.15635%0.349CS..PPolyproline II helixtrans-53.5142.2174.5-25.133.7000112.3F52 G186P46-F52 HydrophobicContact CB-CD1 3.76Å; P46-F52 HydrophobicContact CB-CE1 4.34Å; P46-F52 HydrophobicContact CG-CD1 3.55Å; P46-F52 HydrophobicContact CG-CE1 3.62Å; P46-G186 WeakPolarHBondContact CD-O 3.43Å
47E68.4Low82.2Confident156 Ų15660.6 Ų60.673%0.72934%0.342SS*.PPolyproline II helixtrans-73148.6176.1-66.6-171.7166.600110.3D49E47-D49 PolarHBondContact O-N 3.08Å
48K61Low82.3Confident121 Ų12157.3 Ų57.353%0.52633%0.329SS..G310 helixtrans-59-20.4-173.2-90.4-178.9176.6172.20114.1D50 Q54 E84K48-D50 PolarHBondContact O-N 3.04Å; K48-Q54 PolarHBondContact O-NE2 3.26Å; K48-E84 IonicContact NZ-OE2 3.18Å; K48-E84 PolarHBondContact NZ-OE2 3.49Å
49D60.7Low82.4Confident157 Ų15752.9 Ų52.984%0.8431%0.309SS*.G310 helixtrans-81.2-10.2-160.9-66.2-13.4000115E47E47-D49 PolarHBondContact O-N 3.08Å
50D63.5Low82.5Confident105 Ų10550.5 Ų50.556%0.56130%0.296SS*.G310 helixtrans-100.6-3.5179.1646.9000114.1K48 F52K48-D50 PolarHBondContact O-N 3.04Å; D50-F52 PolarHBondContact O-N 3.3Å; D50-F52 VanDerWaalsContact OD1-CB 3.3Å; D50-F52 WeakPolarHBondContact OD1-CB 3.37Å; D50-F52 PolarHBondContact OD1-N 2.84Å
51G72.1Confident82.6Confident35 Ų3549.5 Ų49.536%0.36129%0.289SS..SBendtrans71.4-2.4-175.100000114.4N184G51-N184 PolarHBondContact O-ND2 2.94Å
52F79Confident82.9Confident42 Ų4248.7 Ų48.718%0.18428%0.28CS..THydrogen-bonded Turntrans-81.1147176.2-179.6-105.6000110.5P46 D50 Q54 N184 N212 I213P46-F52 HydrophobicContact CB-CD1 3.76Å; P46-F52 HydrophobicContact CB-CE1 4.34Å; P46-F52 HydrophobicContact CG-CD1 3.55Å; P46-F52 HydrophobicContact CG-CE1 3.62Å; D50-F52 PolarHBondContact O-N 3.3Å; D50-F52 VanDerWaalsContact OD1-CB 3.3Å; D50-F52 WeakPolarHBondContact OD1-CB 3.37Å; D50-F52 PolarHBondContact OD1-N 2.84Å; F52-Q54 PolarHBondContact O-N 3.15Å; F52-Q54 VanDerWaalsContact O-N 3.08Å; F52-N184 VanDerWaalsContact CD2-OD1 3.31Å; F52-N184 WeakPolarHBondContact CD2-OD1 3.3Å; F52-N212 HydrophobicContact CE1-CB 4.09Å; F52-N212 WeakPolarHBondContact CE1-ND2 3.18Å; F52-N212 WeakPolarHBondContact CE2-ND2 3.4Å; F52-N212 HydrophobicContact CZ-CB 4.28Å; F52-N212 WeakPolarHBondContact CZ-ND2 3.46Å; F52-I213 HydrophobicContact CE1-CG1 4.31Å; F52-I213 HydrophobicContact CE2-CG1 4.42Å; F52-I213 HydrophobicContact CZ-CD1 4.25Å; F52-I213 HydrophobicContact CZ-CG1 3.52Å
53G81.3Confident83.4Confident1 Ų146.8 Ų46.81%0.0127%0.267CS..THydrogen-bonded Turntrans71.52.2176.800000116G55 G56 N184 G186G53-G55 PolarHBondContact O-N 2.88Å; G53-G56 PolarHBondContact O-N 3.26Å; G53-G56 VanDerWaalsContact O-N 3.1Å; G53-N184 CarbonylContact C-O 3.54Å; G53-N184 VanDerWaalsContact CA-O 3.27Å; G53-N184 WeakPolarHBondContact CA-O 3.26Å; G53-N184 PolarHBondContact N-OD1 3.15Å; G53-G186 VanDerWaalsContact CA-N 3.32Å
54Q84.3Confident84.2Confident107 Ų10743.1 Ų43.150%0.523%0.229SC..BIsolated β-bridgetrans-67.2-16.5175.4-64.5-159.62.600113.2K48 F52 G56K48-Q54 PolarHBondContact O-NE2 3.26Å; F52-Q54 PolarHBondContact O-N 3.15Å; F52-Q54 VanDerWaalsContact O-N 3.08Å; Q54-G56 PolarHBondContact O-N 3.01Å
55G87.5Confident85.2Confident8 Ų838.2 Ų38.28%0.08220%0.199CC..THydrogen-bonded Turntrans-66-18170.800000114.7G53 L183 N184G53-G55 PolarHBondContact O-N 2.88Å; G55-L183 WeakPolarHBondContact CA-O 3.4Å; G55-N184 VanDerWaalsContact CA-O 3.27Å; G55-N184 WeakPolarHBondContact CA-O 3.15Å; G55-N184 PolarHBondContact N-O 2.89Å
56G94.9Very high86.2Confident0 Ų037 Ų370%019%0.193CC..EExtended strand (participates in β ladder)trans100.5-149.9168.700000115.2G53 Q54 P86 V185 G186G53-G56 PolarHBondContact O-N 3.26Å; G53-G56 VanDerWaalsContact O-N 3.1Å; Q54-G56 PolarHBondContact O-N 3.01Å; G56-P86 CarbonylContact C-O 3.51Å; G56-P86 VanDerWaalsContact CA-O 3.28Å; G56-P86 WeakPolarHBondContact CA-O 3.46Å; G56-V185 CarbonylContact O-C 3.57Å; G56-V185 WeakPolarHBondContact O-CA 3.47Å; G56-V185 WeakPolarHBondContact O-CB 3.17Å; G56-G186 PolarHBondContact O-N 2.87Å
57V97Very high87.4Confident0 Ų035.8 Ų35.80%019%0.186CC..EExtended strand (participates in β ladder)trans-106.8131.1-174.7-178.40000109.2F45 A76 L79 A80 V85 P86 L87 H88 C187 V189F45-V57 HydrophobicContact CE2-CG2 4.09Å; V57-A76 HydrophobicContact CG1-CB 4.03Å; V57-L79 HydrophobicContact CG2-CB 3.9Å; V57-A80 HydrophobicContact CB-CB 4.12Å; V57-A80 HydrophobicContact CG2-CB 3.94Å; V57-V85 HydrophobicContact CG2-CG2 4.22Å; V57-P86 PolarHBondContact N-O 3.23Å; V57-L87 HydrophobicContact CB-CD1 4.21Å; V57-L87 HydrophobicContact CG1-CD1 4.33Å; V57-H88 PolarHBondContact O-N 2.92Å; V57-C187 HydrophobicContact CG2-CB 4.44Å; V57-V189 HydrophobicContact CG1-CG2 4.14Å
58L98.4Very high88.8Confident0 Ų029.2 Ų29.20%016%0.155CC..EExtended strand (participates in β ladder)trans-103.7120.4172.3-179.459.3000110H88 C90 L179 A180 L183 V185 C187 L188 V189L58-H88 HydrophobicContact CD1-CB 3.74Å; L58-C90 HydrophobicContact CD1-CB 4Å; L58-L179 HydrophobicContact CD1-CD2 4.22Å; L58-L179 HydrophobicContact CD2-CD2 4.03Å; L58-L179 HydrophobicContact CD2-CG 4.23Å; L58-A180 HydrophobicContact CD2-CB 4.36Å; L58-L183 HydrophobicContact CD1-CD1 4.22Å; L58-L183 HydrophobicContact CD2-CD1 4.5Å; L58-V185 HydrophobicContact CB-CB 4.39Å; L58-V185 HydrophobicContact CB-CG1 3.78Å; L58-V185 HydrophobicContact CB-CG2 4.47Å; L58-C187 PolarHBondContact N-O 3.43Å; L58-L188 HydrophobicContact CB-CD1 3.93Å; L58-L188 HydrophobicContact CD2-CD1 3.8Å; L58-L188 HydrophobicContact CG-CD1 3.79Å; L58-V189 PolarHBondContact O-N 2.89Å
59Y98.8Very high90.6Very high0 Ų023.7 Ų23.70%013%0.131CC..EExtended strand (participates in β ladder)trans-92.3107.6164172.8-146.2000109.7M61 N70 A72 F73 A76 H88 V89 C90 V189 D191Y59-M61 HydrophobicContact CD1-CB 4.43Å; Y59-M61 HydrophobicContact CD1-CE 4.45Å; Y59-M61 HydrophobicContact CE1-CB 3.88Å; Y59-M61 HydrophobicContact CE1-CE 3.63Å; Y59-M61 HydrophobicContact CE1-CG 4.26Å; Y59-M61 HydrophobicContact CE2-CB 4.21Å; Y59-M61 PolarHBondContact O-N 2.71Å; Y59-N70 PolarHBondContact OH-ND2 2.91Å; Y59-A72 HydrophobicContact CD2-CB 4.22Å; Y59-A72 HydrophobicContact CE2-CB 3.54Å; Y59-F73 HydrophobicContact CD1-CB 4.05Å; Y59-F73 AromaticContact CD1-CD2 3.74Å; Y59-F73 HydrophobicContact CD1-CD2 3.74Å; Y59-F73 HydrophobicContact CD1-CE2 4.34Å; Y59-F73 AromaticContact CD1-CG 3.9Å; Y59-F73 HydrophobicContact CD1-CG 3.9Å; Y59-F73 HydrophobicContact CE1-CB 3.88Å; Y59-F73 AromaticContact CE1-CD2 3.71Å; Y59-F73 HydrophobicContact CE1-CD2 3.71Å; Y59-F73 HydrophobicContact CE1-CG 4.04Å; Y59-A76 HydrophobicContact CG-CB 4.49Å; Y59-H88 PolarHBondContact N-O 3.01Å; Y59-V89 HydrophobicContact CD1-CG1 4.24Å; Y59-V89 HydrophobicContact CD1-CG2 4.22Å; Y59-V89 CarbonylContact O-C 3.45Å; Y59-V89 VanDerWaalsContact O-CA 3.3Å; Y59-V89 WeakPolarHBondContact O-CA 3.44Å; Y59-C90 PolarHBondContact O-N 3Å; Y59-V189 CarbonylContact C-O 3.58Å; Y59-V189 WeakPolarHBondContact CA-O 3.32Å; Y59-V189 HydrophobicContact CD2-CG1 4.48Å; Y59-D191 HydrophobicContact CE2-CB 4.4Å; Y59-D191 PolarHBondContact OH-OD2 3.25Å
60W98.8Very high92.4Very high4 Ų416.2 Ų16.22%0.0159%0.091CC..EExtended strand (participates in β ladder)trans-79.997.8166.1173.325.1000109.9V172 V176 L188 V189 T190 W201 V202 V205 F215W60-V172 HydrophobicContact CH2-CG1 3.91Å; W60-V172 HydrophobicContact CZ2-CG1 3.52Å; W60-V176 HydrophobicContact CD2-CG1 4.15Å; W60-V176 HydrophobicContact CD2-CG2 3.98Å; W60-V176 HydrophobicContact CE3-CG1 4.08Å; W60-V176 HydrophobicContact CE3-CG2 4.46Å; W60-V176 HydrophobicContact CG-CG1 4.36Å; W60-V176 HydrophobicContact CG-CG2 4.25Å; W60-V176 HydrophobicContact CZ2-CG2 4.29Å; W60-L188 HydrophobicContact CB-CD1 4.15Å; W60-V189 PolarHBondContact N-O 2.84Å; W60-T190 HydrophobicContact CE3-CG2 4.45Å; W60-T190 WeakPolarHBondContact O-CA 3.31Å; W60-T190 WeakPolarHBondContact O-CB 3.47Å; W60-T190 PolarHBondContact O-OG1 3.21Å; W60-W201 HydrophobicContact CH2-CB 3.93Å; W60-W201 HydrophobicContact CZ2-CB 4.35Å; W60-V202 HydrophobicContact CH2-CG2 4.11Å; W60-V202 HydrophobicContact CZ3-CG2 3.99Å; W60-V205 HydrophobicContact CE3-CG2 4.39Å; W60-V205 HydrophobicContact CH2-CG2 3.83Å; W60-V205 HydrophobicContact CZ3-CB 4Å; W60-V205 HydrophobicContact CZ3-CG1 4.23Å; W60-V205 HydrophobicContact CZ3-CG2 3.59Å; W60-F215 HydrophobicContact CE3-CZ 4.09Å; W60-F215 HydrophobicContact CZ3-CZ 4.08Å
61M98.8Very high94.1Very high0 Ų011.3 Ų11.30%07%0.065CC..EExtended strand (participates in β ladder)trans-75.3133.8174.6-179.4-178.5-77.800110.2Y59 Q65 F73 V89 C90 F91 L112 V115Y59-M61 HydrophobicContact CD1-CB 4.43Å; Y59-M61 HydrophobicContact CD1-CE 4.45Å; Y59-M61 HydrophobicContact CE1-CB 3.88Å; Y59-M61 HydrophobicContact CE1-CE 3.63Å; Y59-M61 HydrophobicContact CE1-CG 4.26Å; Y59-M61 HydrophobicContact CE2-CB 4.21Å; Y59-M61 PolarHBondContact O-N 2.71Å; M61-Q65 HydrophobicContact SD-CB 4.32Å; M61-F73 HydrophobicContact CE-CD2 4.13Å; M61-F73 HydrophobicContact CE-CE2 4.38Å; M61-V89 HydrophobicContact CB-CG1 4.23Å; M61-V89 HydrophobicContact CE-CG1 4.32Å; M61-C90 PolarHBondContact N-O 2.94Å; M61-F91 HydrophobicContact CB-CD2 4.42Å; M61-F91 HydrophobicContact CG-CD2 4.21Å; M61-F91 VanDerWaalsContact O-CD2 3.29Å; M61-F91 WeakPolarHBondContact O-CD2 3.29Å; M61-L112 HydrophobicContact SD-CD2 4.48Å; M61-V115 HydrophobicContact CE-CG1 4.01Å; M61-V115 HydrophobicContact SD-CG1 4.07Å
62S97.2Very high95.4Very high10 Ų109.6 Ų9.67%0.075%0.048CC..SBendtrans-133.5-69.5175.3-176.40000111.5Q65 F91 D191S62-Q65 PolarHBondContact O-NE2 2.95Å; S62-F91 WeakPolarHBondContact O-CE2 3.47Å; S62-D191 WeakPolarHBondContact CB-OD1 3.39Å; S62-D191 PolarHBondContact N-OD1 2.89Å; S62-D191 PolarHBondContact N-OD2 2.99Å
63R98.1Very high96.3Very high4 Ų47.6 Ų7.62%0.0154%0.039CC..SBendtrans-87.3-37-173.8-168.7-178.2-171-176.81.5113.1Q65 D191 F192 C193 P194 H221 F338 G339 E376 D479R63-Q65 PolarHBondContact O-N 2.81Å; R63-D191 WeakPolarHBondContact CB-OD1 3.24Å; R63-D191 PolarHBondContact N-OD1 3.02Å; R63-D191 PolarHBondContact N-OD2 2.85Å; R63-F192 VanDerWaalsContact CD-O 3.31Å; R63-F192 WeakPolarHBondContact CD-O 3.48Å; R63-C193 HydrophobicContact CB-CB 4.45Å; R63-P194 VanDerWaalsContact NH1-CD 3.27Å; R63-H221 PolarHBondContact NE-CD2 2.78Å; R63-H221 PolarHBondContact NH2-CD2 3.41Å; R63-H221 VanDerWaalsContact NH2-CD2 3.31Å; R63-H221 PolarHBondContact NH2-NE2 2.92Å; R63-F338 CarbonylContact O-C 3.56Å; R63-F338 VanDerWaalsContact O-O 3.1Å; R63-G339 WeakPolarHBondContact O-CA 3.43Å; R63-E376 IonicContact CZ-OE1 3.21Å; R63-E376 VanDerWaalsContact CZ-OE1 3.28Å; R63-E376 IonicContact CZ-OE2 3.27Å; R63-E376 VanDerWaalsContact NH1-CD 3.33Å; R63-E376 IonicContact NH1-OE1 2.78Å; R63-E376 PolarHBondContact NH1-OE1 2.8Å; R63-E376 IonicContact NH1-OE2 2.7Å; R63-E376 PolarHBondContact NH1-OE2 3.28Å; R63-E376 IonicContact NH2-OE1 3.3Å; R63-E376 PolarHBondContact NH2-OE1 2.94Å; R63-E376 IonicContact NH2-OE2 2.79Å; R63-D479 IonicContact NH2-OD2 2.81Å
64D98.8Very high97.1Very high0 Ų07.6 Ų7.60%04%0.038CC..  trans-98.373.1-171.2-72.8-72000111.1R66 N70 D191 A220 H221D64-R66 PolarHBondContact O-N 3.06Å; D64-R66 IonicContact OD1-CZ 3.58Å; D64-R66 IonicContact OD1-NH1 3.94Å; D64-R66 PolarHBondContact OD1-NH1 3.42Å; D64-R66 IonicContact OD1-NH2 2.78Å; D64-R66 PolarHBondContact OD1-NH2 3Å; D64-R66 VanDerWaalsContact OD1-NH2 3.11Å; D64-N70 PolarHBondContact O-ND2 3.23Å; D64-D191 HydrophobicContact CB-CB 4.36Å; D64-D191 PolarHBondContact N-OD2 2.88Å; D64-A220 HydrophobicContact CB-CB 4.14Å; D64-A220 WeakPolarHBondContact OD2-CB 3.39Å; D64-H221 IonicContact OD1-CE1 3Å; D64-H221 IonicContact OD1-CG 3.93Å; D64-H221 IonicContact OD1-ND1 3.5Å; D64-H221 PolarHBondContact OD1-ND1 3.24Å; D64-H221 PolarHBondContact OD2-N 2.82Å; D64-H221 IonicContact OD2-ND1 3.17Å
65Q98.7Very high97.8Very high0 Ų04.2 Ų4.20%02%0.021CC..  trans-78.862.8-172-51.5170.99.100113.3M61 S62 R63 F91 M108 L112 F338 G339M61-Q65 HydrophobicContact SD-CB 4.32Å; S62-Q65 PolarHBondContact O-NE2 2.95Å; R63-Q65 PolarHBondContact O-N 2.81Å; Q65-F91 HydrophobicContact CG-CE2 3.97Å; Q65-M108 VanDerWaalsContact OE1-CG 3.32Å; Q65-L112 HydrophobicContact CB-CD2 4.14Å; Q65-L112 HydrophobicContact CG-CD2 4.16Å; Q65-F338 WeakPolarHBondContact CB-O 3.48Å; Q65-F338 VanDerWaalsContact CG-O 3.25Å; Q65-F338 WeakPolarHBondContact CG-O 3.06Å; Q65-F338 PolarHBondContact N-O 3.29Å; Q65-G339 CarbonylContact C-O 3.42Å; Q65-G339 PolarHBondContact N-O 3.14Å
66R98.8Very high98.3Very high2 Ų23.8 Ų3.81%0.0082%0.017CC..  trans-153.5152.8176.964.2-173.5179-78-3.7110.6D64 Q68 D69 N70 A220 T299 G339D64-R66 PolarHBondContact O-N 3.06Å; D64-R66 IonicContact OD1-CZ 3.58Å; D64-R66 IonicContact OD1-NH1 3.94Å; D64-R66 PolarHBondContact OD1-NH1 3.42Å; D64-R66 IonicContact OD1-NH2 2.78Å; D64-R66 PolarHBondContact OD1-NH2 3Å; D64-R66 VanDerWaalsContact OD1-NH2 3.11Å; R66-Q68 WeakPolarHBondContact CD-O 3.38Å; R66-Q68 WeakPolarHBondContact CG-O 3.29Å; R66-D69 PolarHBondContact NE-O 3.11Å; R66-D69 PolarHBondContact NH2-O 3.14Å; R66-D69 VanDerWaalsContact NH2-O 3.07Å; R66-N70 HydrophobicContact CG-CB 4.15Å; R66-N70 PolarHBondContact O-ND2 3.18Å; R66-A220 PolarHBondContact NH2-O 3.13Å; R66-T299 WeakPolarHBondContact CB-OG1 3.4Å; R66-G339 WeakPolarHBondContact CB-O 3.42Å; R66-G339 WeakPolarHBondContact CD-O 3.41Å; R66-G339 WeakPolarHBondContact CG-O 3.36Å; R66-G339 PolarHBondContact NH1-O 3.29Å
67V98.8Very high98.4Very high0 Ų03.8 Ų3.80%02%0.017CC..SBendtrans-84.3-56.2176.5178.20000110.8F73 V115 E118 L122 I258V67-F73 HydrophobicContact CB-CE2 4.26Å; V67-F73 HydrophobicContact CG1-CD2 4.41Å; V67-F73 HydrophobicContact CG1-CE2 4.01Å; V67-F73 HydrophobicContact CG1-CZ 4.14Å; V67-F73 HydrophobicContact CG2-CE2 4.03Å; V67-V115 HydrophobicContact CG2-CG1 4.1Å; V67-E118 VanDerWaalsContact CB-CD 3.48Å; V67-E118 HydrophobicContact CB-CG 4.11Å; V67-E118 WeakPolarHBondContact CB-OE2 3.43Å; V67-E118 HydrophobicContact CG1-CG 4.19Å; V67-E118 HydrophobicContact CG2-CB 3.94Å; V67-E118 HydrophobicContact CG2-CG 4.02Å; V67-L122 HydrophobicContact CG1-CD1 3.67Å; V67-I258 HydrophobicContact CG1-CB 3.97Å; V67-I258 HydrophobicContact CG1-CG1 4.17Å; V67-I258 HydrophobicContact CG1-CG2 3.91Å; V67-I258 WeakPolarHBondContact O-CG1 3.43Å
68Q98.5Very high98.3Very high17 Ų177.4 Ų7.48%0.0793%0.031CC..THydrogen-bonded Turntrans-79.1156.3179.6-54.8-62.3-28.600112.1R66 N70 E118 I258R66-Q68 WeakPolarHBondContact CD-O 3.38Å; R66-Q68 WeakPolarHBondContact CG-O 3.29Å; Q68-N70 PolarHBondContact O-N 3.39Å; Q68-E118 VanDerWaalsContact CG-OE1 3.27Å; Q68-E118 WeakPolarHBondContact CG-OE1 3.45Å; Q68-E118 PolarHBondContact NE2-OE1 2.95Å; Q68-I258 PolarHBondContact NE2-O 3.36Å
69D98.7Very high98.1Very high5 Ų58.5 Ų8.53%0.0274%0.036CC..THydrogen-bonded Turntrans5435.6-178.8-53.5-27.6000113R19 R66 F255 A342 R345R19-D69 IonicContact CZ-OD1 3.42Å; R19-D69 IonicContact CZ-OD2 3.61Å; R19-D69 IonicContact NE-OD1 3.61Å; R19-D69 PolarHBondContact NE-OD1 2.83Å; R19-D69 IonicContact NE-OD2 2.77Å; R19-D69 IonicContact NH2-OD1 2.65Å; R19-D69 PolarHBondContact NH2-OD1 3.33Å; R19-D69 IonicContact NH2-OD2 3.56Å; R19-D69 PolarHBondContact NH2-OD2 3.25Å; R66-D69 PolarHBondContact NE-O 3.11Å; R66-D69 PolarHBondContact NH2-O 3.14Å; R66-D69 VanDerWaalsContact NH2-O 3.07Å; D69-F255 HydrophobicContact CB-CD1 4.14Å; D69-F255 HydrophobicContact CB-CD2 3.87Å; D69-F255 HydrophobicContact CB-CE1 4.11Å; D69-F255 HydrophobicContact CB-CE2 3.87Å; D69-F255 HydrophobicContact CB-CG 3.99Å; D69-F255 HydrophobicContact CB-CZ 3.99Å; D69-F255 WeakPolarHBondContact OD1-CB 3.48Å; D69-F255 WeakPolarHBondContact OD1-CD2 3.2Å; D69-F255 WeakPolarHBondContact OD1-CG 3.31Å; D69-A342 HydrophobicContact CB-CB 3.84Å; D69-A342 WeakPolarHBondContact O-CB 3.32Å; D69-R345 IonicContact OD1-CZ 3.6Å; D69-R345 IonicContact OD1-NE 3.89Å; D69-R345 IonicContact OD1-NH2 2.73Å; D69-R345 PolarHBondContact OD1-NH2 3.33Å; D69-R345 WeakPolarHBondContact OD2-CG 3.43Å; D69-R345 IonicContact OD2-CZ 2.79Å; D69-R345 IonicContact OD2-NE 3.28Å; D69-R345 PolarHBondContact OD2-NE 3.22Å; D69-R345 IonicContact OD2-NH2 3.43Å
70N98.8Very high98Very high0 Ų08.5 Ų8.50%04%0.036CC..  trans-118.8109179-177.9-21000110.4Y59 D64 R66 Q68 A72 F73 I74 A220Y59-N70 PolarHBondContact OH-ND2 2.91Å; D64-N70 PolarHBondContact O-ND2 3.23Å; R66-N70 HydrophobicContact CG-CB 4.15Å; R66-N70 PolarHBondContact O-ND2 3.18Å; Q68-N70 PolarHBondContact O-N 3.39Å; N70-A72 VanDerWaalsContact C-N 3.3Å; N70-A72 PolarHBondContact O-N 2.72Å; N70-A72 WeakPolarHBondContact OD1-CB 3.21Å; N70-A72 PolarHBondContact OD1-N 2.97Å; N70-F73 HydrophobicContact CB-CB 3.81Å; N70-F73 PolarHBondContact O-N 3.32Å; N70-F73 PolarHBondContact OD1-N 3.31Å; N70-F73 VanDerWaalsContact OD1-N 3.16Å; N70-I74 WeakPolarHBondContact O-CB 3.43Å; N70-I74 WeakPolarHBondContact O-CD1 3.49Å; N70-I74 WeakPolarHBondContact O-CG1 3.26Å; N70-I74 PolarHBondContact O-N 3.27Å; N70-A220 WeakPolarHBondContact OD1-CB 3.46Å
71W98.7Very high97.7Very high2 Ų29.3 Ų9.31%0.0084%0.041CC..Hα-helixtrans-66-29.4-177.8-67.7120.6000113.8F29 F31 I74 Y75 V218 A220 F255F29-W71 HydrophobicContact CD1-CZ3 4.16Å; F29-W71 AromaticContact CE1-CH2 3.64Å; F29-W71 HydrophobicContact CE1-CH2 3.64Å; F29-W71 AromaticContact CE1-CZ3 3.46Å; F29-W71 HydrophobicContact CE1-CZ3 3.46Å; F29-W71 VanDerWaalsContact CE1-CZ3 3.46Å; F29-W71 AromaticContact CZ-CH2 3.71Å; F29-W71 HydrophobicContact CZ-CH2 3.71Å; F29-W71 HydrophobicContact CZ-CZ3 4.02Å; F31-W71 HydrophobicContact CD2-CE3 4.18Å; F31-W71 HydrophobicContact CD2-CZ3 4.44Å; F31-W71 AromaticContact CE2-CE3 3.79Å; F31-W71 HydrophobicContact CE2-CE3 3.79Å; F31-W71 HydrophobicContact CE2-CZ3 4.5Å; W71-I74 HydrophobicContact CD2-CD1 4.42Å; W71-I74 HydrophobicContact CE3-CB 4.37Å; W71-I74 HydrophobicContact CE3-CD1 3.67Å; W71-I74 HydrophobicContact CE3-CG2 4.28Å; W71-I74 HydrophobicContact CZ3-CD1 3.82Å; W71-I74 HydrophobicContact CZ3-CG2 4.4Å; W71-Y75 WeakPolarHBondContact O-CB 3.27Å; W71-Y75 PolarHBondContact O-N 2.94Å; W71-V218 HydrophobicContact CB-CG1 3.97Å; W71-A220 HydrophobicContact CB-CB 4.1Å; W71-F255 AromaticContact CD1-CE1 3.83Å; W71-F255 HydrophobicContact CD2-CD1 4Å; W71-F255 AromaticContact CD2-CE1 3.72Å; W71-F255 HydrophobicContact CD2-CE1 3.72Å; W71-F255 AromaticContact CE2-CD1 3.6Å; W71-F255 AromaticContact CE2-CE1 3.16Å; W71-F255 AromaticContact CE2-CZ 3.95Å; W71-F255 HydrophobicContact CE3-CD1 4.21Å; W71-F255 HydrophobicContact CE3-CE1 4.39Å; W71-F255 HydrophobicContact CG-CE1 4.12Å; W71-F255 AromaticContact CH2-CD1 3.68Å; W71-F255 HydrophobicContact CH2-CD1 3.68Å; W71-F255 HydrophobicContact CH2-CE1 4.11Å; W71-F255 HydrophobicContact CH2-CG 4.31Å; W71-F255 AromaticContact CZ2-CD1 3.44Å; W71-F255 HydrophobicContact CZ2-CD1 3.44Å; W71-F255 VanDerWaalsContact CZ2-CD1 3.44Å; W71-F255 AromaticContact CZ2-CE1 3.4Å; W71-F255 HydrophobicContact CZ2-CE1 3.4Å; W71-F255 VanDerWaalsContact CZ2-CE1 3.4Å; W71-F255 HydrophobicContact CZ2-CG 4.19Å; W71-F255 HydrophobicContact CZ2-CZ 4.07Å; W71-F255 HydrophobicContact CZ3-CD1 4.06Å; W71-F255 AromaticContact NE1-CE1 3.24Å; W71-F255 AromaticContact NE1-CZ 3.71Å
72A98.8Very high97.4Very high0 Ų015.8 Ų15.80%07%0.069CC..Hα-helixtrans-69.3-45.3176.600000110.2Y59 N70 Y75 A76 D191 V218 A220Y59-A72 HydrophobicContact CD2-CB 4.22Å; Y59-A72 HydrophobicContact CE2-CB 3.54Å; N70-A72 VanDerWaalsContact C-N 3.3Å; N70-A72 PolarHBondContact O-N 2.72Å; N70-A72 WeakPolarHBondContact OD1-CB 3.21Å; N70-A72 PolarHBondContact OD1-N 2.97Å; A72-Y75 PolarHBondContact O-N 3.46Å; A72-A76 WeakPolarHBondContact O-CB 3.47Å; A72-A76 PolarHBondContact O-N 3.27Å; A72-D191 HydrophobicContact CB-CB 3.97Å; A72-V218 HydrophobicContact CB-CB 3.92Å; A72-V218 HydrophobicContact CB-CG1 4.42Å; A72-A220 HydrophobicContact CB-CB 3.95Å
73F98.6Very high97.1Very high0 Ų018 Ų180%08%0.077CC..Hα-helixtrans-61.6-48174.5-149.6-49.3000111.3Y59 M61 V67 N70 Y75 A76 Q77 L87 V89 I124 I258Y59-F73 HydrophobicContact CD1-CB 4.05Å; Y59-F73 AromaticContact CD1-CD2 3.74Å; Y59-F73 HydrophobicContact CD1-CD2 3.74Å; Y59-F73 HydrophobicContact CD1-CE2 4.34Å; Y59-F73 AromaticContact CD1-CG 3.9Å; Y59-F73 HydrophobicContact CD1-CG 3.9Å; Y59-F73 HydrophobicContact CE1-CB 3.88Å; Y59-F73 AromaticContact CE1-CD2 3.71Å; Y59-F73 HydrophobicContact CE1-CD2 3.71Å; Y59-F73 HydrophobicContact CE1-CG 4.04Å; M61-F73 HydrophobicContact CE-CD2 4.13Å; M61-F73 HydrophobicContact CE-CE2 4.38Å; V67-F73 HydrophobicContact CB-CE2 4.26Å; V67-F73 HydrophobicContact CG1-CD2 4.41Å; V67-F73 HydrophobicContact CG1-CE2 4.01Å; V67-F73 HydrophobicContact CG1-CZ 4.14Å; V67-F73 HydrophobicContact CG2-CE2 4.03Å; N70-F73 HydrophobicContact CB-CB 3.81Å; N70-F73 PolarHBondContact O-N 3.32Å; N70-F73 PolarHBondContact OD1-N 3.31Å; N70-F73 VanDerWaalsContact OD1-N 3.16Å; F73-Y75 VanDerWaalsContact C-N 3.27Å; F73-Y75 PolarHBondContact O-N 2.88Å; F73-A76 PolarHBondContact O-N 2.94Å; F73-A76 VanDerWaalsContact O-N 3.17Å; F73-Q77 PolarHBondContact O-N 3.4Å; F73-L87 HydrophobicContact CD1-CD2 4.38Å; F73-L87 HydrophobicContact CE1-CD2 3.76Å; F73-V89 HydrophobicContact CD2-CG2 4.45Å; F73-V89 HydrophobicContact CE1-CG2 4.2Å; F73-V89 HydrophobicContact CE2-CG2 3.59Å; F73-V89 HydrophobicContact CZ-CG2 3.45Å; F73-V89 VanDerWaalsContact CZ-CG2 3.45Å; F73-I124 HydrophobicContact CE1-CD1 3.86Å; F73-I124 HydrophobicContact CZ-CD1 4.01Å; F73-I124 HydrophobicContact CZ-CG2 4.17Å; F73-I258 HydrophobicContact CB-CD1 4.28Å; F73-I258 HydrophobicContact CD1-CD1 3.69Å; F73-I258 HydrophobicContact CD1-CG1 3.99Å; F73-I258 HydrophobicContact CD1-CG2 4.16Å; F73-I258 HydrophobicContact CE1-CD1 4.44Å; F73-I258 HydrophobicContact CE1-CG1 4.5Å; F73-I258 HydrophobicContact CE1-CG2 3.86Å; F73-I258 HydrophobicContact CG-CD1 4.25Å; F73-I258 HydrophobicContact CG-CG1 4.34Å
74I98.5Very high96.8Very high0 Ų022.6 Ų22.60%010%0.099CC..Hα-helixtrans-57.6-42.9177.7-70.2162.6000110.5A26 F31 N70 W71 R78 F255 P256 I258A26-I74 HydrophobicContact CB-CG2 3.89Å; A26-I74 WeakPolarHBondContact CB-O 3.41Å; F31-I74 HydrophobicContact CD2-CG2 3.91Å; F31-I74 HydrophobicContact CE2-CG2 4.09Å; N70-I74 WeakPolarHBondContact O-CB 3.43Å; N70-I74 WeakPolarHBondContact O-CD1 3.49Å; N70-I74 WeakPolarHBondContact O-CG1 3.26Å; N70-I74 PolarHBondContact O-N 3.27Å; W71-I74 HydrophobicContact CD2-CD1 4.42Å; W71-I74 HydrophobicContact CE3-CB 4.37Å; W71-I74 HydrophobicContact CE3-CD1 3.67Å; W71-I74 HydrophobicContact CE3-CG2 4.28Å; W71-I74 HydrophobicContact CZ3-CD1 3.82Å; W71-I74 HydrophobicContact CZ3-CG2 4.4Å; I74-R78 VanDerWaalsContact O-CB 3.26Å; I74-R78 WeakPolarHBondContact O-CB 3.39Å; I74-R78 PolarHBondContact O-N 2.97Å; I74-F255 HydrophobicContact CD1-CB 4.49Å; I74-F255 HydrophobicContact CD1-CD1 3.83Å; I74-P256 HydrophobicContact CD1-CG 3.94Å; I74-P256 HydrophobicContact CG1-CG 4.26Å; I74-P256 HydrophobicContact CG2-CG 3.83Å; I74-I258 HydrophobicContact CB-CD1 4.26Å; I74-I258 HydrophobicContact CG1-CD1 3.61Å; I74-I258 HydrophobicContact CG1-CG1 4.41Å
75Y97.9Very high96.6Very high36 Ų3623.2 Ų23.214%0.14110%0.103CC..Hα-helixtrans-66.2-43.5177.9-176.7-119.2000112.2F31 I36 W71 A72 F73 R78 L79 V189 C216 V218F31-Y75 HydrophobicContact CD1-CD2 4.39Å; F31-Y75 HydrophobicContact CE1-CD2 4.09Å; F31-Y75 HydrophobicContact CZ-CD2 4.18Å; F31-Y75 HydrophobicContact CZ-CG 4.26Å; I36-Y75 HydrophobicContact CD1-CD1 4.32Å; I36-Y75 HydrophobicContact CD1-CD2 3.59Å; I36-Y75 HydrophobicContact CD1-CE1 4.01Å; I36-Y75 HydrophobicContact CD1-CE2 3.24Å; I36-Y75 HydrophobicContact CD1-CG 4.13Å; I36-Y75 VanDerWaalsContact CD1-CZ 3.46Å; I36-Y75 HydrophobicContact CG1-CD1 4.26Å; I36-Y75 HydrophobicContact CG1-CD2 4.24Å; I36-Y75 HydrophobicContact CG1-CE1 4.18Å; I36-Y75 HydrophobicContact CG1-CE2 4.18Å; I36-Y75 HydrophobicContact CG1-CG 4.28Å; I36-Y75 HydrophobicContact CG2-CE1 4.09Å; W71-Y75 WeakPolarHBondContact O-CB 3.27Å; W71-Y75 PolarHBondContact O-N 2.94Å; A72-Y75 PolarHBondContact O-N 3.46Å; F73-Y75 VanDerWaalsContact C-N 3.27Å; F73-Y75 PolarHBondContact O-N 2.88Å; Y75-R78 WeakPolarHBondContact O-CB 3.49Å; Y75-R78 PolarHBondContact O-N 3.28Å; Y75-L79 HydrophobicContact CD1-CD1 4.11Å; Y75-L79 HydrophobicContact CE1-CD1 3.56Å; Y75-L79 HydrophobicContact CE1-CG 4.25Å; Y75-L79 HydrophobicContact CE2-CD1 4.29Å; Y75-L79 HydrophobicContact CE2-CD2 4.19Å; Y75-L79 HydrophobicContact CE2-CG 4.1Å; Y75-L79 WeakPolarHBondContact O-CG 3.38Å; Y75-L79 PolarHBondContact O-N 2.98Å; Y75-V189 HydrophobicContact CD1-CG1 4.01Å; Y75-V189 HydrophobicContact CD1-CG2 4.08Å; Y75-V189 HydrophobicContact CE1-CG2 4.25Å; Y75-C216 HydrophobicContact CE1-CB 3.98Å; Y75-V218 HydrophobicContact CD1-CG2 3.66Å; Y75-V218 HydrophobicContact CE1-CG2 4.45Å; Y75-V218 HydrophobicContact CG-CG2 4.16Å
76A97.8Very high96.4Very high0 Ų023.2 Ų23.20%010%0.103CC..Hα-helixtrans-62.1-46.1177.500000111.9V57 Y59 A72 F73 R78 L79 A80 L87 V189V57-A76 HydrophobicContact CG1-CB 4.03Å; Y59-A76 HydrophobicContact CG-CB 4.49Å; A72-A76 WeakPolarHBondContact O-CB 3.47Å; A72-A76 PolarHBondContact O-N 3.27Å; F73-A76 PolarHBondContact O-N 2.94Å; F73-A76 VanDerWaalsContact O-N 3.17Å; A76-R78 VanDerWaalsContact C-N 3.34Å; A76-R78 PolarHBondContact O-N 2.94Å; A76-L79 PolarHBondContact O-N 3.43Å; A76-A80 WeakPolarHBondContact O-CB 3.39Å; A76-A80 PolarHBondContact O-N 3.49Å; A76-L87 HydrophobicContact CB-CD1 3.76Å; A76-V189 HydrophobicContact CB-CB 4.25Å; A76-V189 HydrophobicContact CB-CG1 4.45Å; A76-V189 HydrophobicContact CB-CG2 4.26Å
77Q97.4Very high96.4Very high0 Ų023.1 Ų23.10%010%0.103CC..Hα-helixtrans-63.1-40.4175.1-177.6168.375.200111.8A26 F73 L79 A80 M81 L87 I258 I259A26-Q77 HydrophobicContact CB-CB 4.36Å; A26-Q77 HydrophobicContact CB-CG 4.38Å; F73-Q77 PolarHBondContact O-N 3.4Å; Q77-L79 VanDerWaalsContact C-N 3.32Å; Q77-L79 PolarHBondContact O-N 3.02Å; Q77-A80 PolarHBondContact O-N 3.2Å; Q77-M81 HydrophobicContact CG-CG 4.1Å; Q77-M81 HydrophobicContact CG-SD 3.81Å; Q77-M81 WeakPolarHBondContact O-CB 3.44Å; Q77-M81 VanDerWaalsContact O-CG 3.27Å; Q77-M81 WeakPolarHBondContact O-CG 3.34Å; Q77-M81 PolarHBondContact O-N 2.92Å; Q77-L87 HydrophobicContact CB-CD2 3.71Å; Q77-L87 HydrophobicContact CG-CD2 4.18Å; Q77-I258 HydrophobicContact CB-CD1 4.36Å; Q77-I259 PolarHBondContact NE2-O 3.25Å
78R95.8Very high96.4Very high76 Ų7623.3 Ų23.329%0.28710%0.103SC..Hα-helixtrans-58.2-43.9175.2-179.6-177-175.182.210.8111.8A26 E27 F29 I74 Y75 A76 K82A26-R78 HydrophobicContact CB-CB 4.2Å; A26-R78 PolarHBondContact O-NH1 3.16Å; E27-R78 PolarHBondContact O-NH1 2.99Å; E27-R78 PolarHBondContact O-NH2 3.43Å; F29-R78 PolarHBondContact O-NH1 3.02Å; I74-R78 VanDerWaalsContact O-CB 3.26Å; I74-R78 WeakPolarHBondContact O-CB 3.39Å; I74-R78 PolarHBondContact O-N 2.97Å; Y75-R78 WeakPolarHBondContact O-CB 3.49Å; Y75-R78 PolarHBondContact O-N 3.28Å; A76-R78 VanDerWaalsContact C-N 3.34Å; A76-R78 PolarHBondContact O-N 2.94Å; R78-K82 VanDerWaalsContact O-CB 3.24Å; R78-K82 WeakPolarHBondContact O-CB 3.39Å; R78-K82 PolarHBondContact O-N 2.75Å
79L94.4Very high96.4Very high22 Ų2222.5 Ų22.512%0.11510%0.1CC..Hα-helixtrans-64.8-48.6176.2-70.2176.1000111V57 Y75 A76 Q77 M81 K82 F83 V189V57-L79 HydrophobicContact CG2-CB 3.9Å; Y75-L79 HydrophobicContact CD1-CD1 4.11Å; Y75-L79 HydrophobicContact CE1-CD1 3.56Å; Y75-L79 HydrophobicContact CE1-CG 4.25Å; Y75-L79 HydrophobicContact CE2-CD1 4.29Å; Y75-L79 HydrophobicContact CE2-CD2 4.19Å; Y75-L79 HydrophobicContact CE2-CG 4.1Å; Y75-L79 WeakPolarHBondContact O-CG 3.38Å; Y75-L79 PolarHBondContact O-N 2.98Å; A76-L79 PolarHBondContact O-N 3.43Å; Q77-L79 VanDerWaalsContact C-N 3.32Å; Q77-L79 PolarHBondContact O-N 3.02Å; L79-M81 VanDerWaalsContact C-N 3.34Å; L79-M81 PolarHBondContact O-N 3.06Å; L79-K82 PolarHBondContact O-N 2.86Å; L79-F83 HydrophobicContact CD2-CE2 4.14Å; L79-F83 WeakPolarHBondContact O-CD2 3.45Å; L79-F83 PolarHBondContact O-N 3.34Å; L79-F83 VanDerWaalsContact O-N 3.08Å; L79-V189 HydrophobicContact CD1-CG2 4.02Å
80A95.1Very high96.4Very high0 Ų022.3 Ų22.30%010%0.098CC..Hα-helixtrans-60-42.9-178.400000112.4V57 A76 Q77 E84 V85 L87V57-A80 HydrophobicContact CB-CB 4.12Å; V57-A80 HydrophobicContact CG2-CB 3.94Å; A76-A80 WeakPolarHBondContact O-CB 3.39Å; A76-A80 PolarHBondContact O-N 3.49Å; Q77-A80 PolarHBondContact O-N 3.2Å; A80-E84 PolarHBondContact O-N 3.32Å; A80-V85 HydrophobicContact CB-CG2 4.39Å; A80-V85 PolarHBondContact O-N 3.26Å; A80-L87 HydrophobicContact CB-CB 3.84Å; A80-L87 HydrophobicContact CB-CD1 4.3Å
81M94.1Very high96.4Very high22 Ų2222.6 Ų22.611%0.10810%0.1CC..Hα-helixtrans-65.2-47.5175.3-69.1178.572.200111.7E27 Q77 L79 F83 E84 I259E27-M81 HydrophobicContact CB-CE 4.03Å; E27-M81 HydrophobicContact CB-SD 4.27Å; Q77-M81 HydrophobicContact CG-CG 4.1Å; Q77-M81 HydrophobicContact CG-SD 3.81Å; Q77-M81 WeakPolarHBondContact O-CB 3.44Å; Q77-M81 VanDerWaalsContact O-CG 3.27Å; Q77-M81 WeakPolarHBondContact O-CG 3.34Å; Q77-M81 PolarHBondContact O-N 2.92Å; L79-M81 VanDerWaalsContact C-N 3.34Å; L79-M81 PolarHBondContact O-N 3.06Å; M81-F83 PolarHBondContact O-N 2.98Å; M81-E84 PolarHBondContact O-N 2.87Å; M81-I259 HydrophobicContact CE-CD1 4.12Å; M81-I259 HydrophobicContact SD-CD1 4.45Å
82K91.5Very high96.2Very high136 Ų13622.9 Ų22.959%0.59110%0.102SC*.Hα-helixtrans-56.5-36.9-179.9178.1-177.2173.8-168.30112.6R78 L79R78-K82 VanDerWaalsContact O-CB 3.24Å; R78-K82 WeakPolarHBondContact O-CB 3.39Å; R78-K82 PolarHBondContact O-N 2.75Å; L79-K82 PolarHBondContact O-N 2.86Å
83F90.6Very high95.9Very high55 Ų5523.4 Ų23.424%0.24111%0.105CC..THydrogen-bonded Turntrans-97.51.3-179.5-63.8-67.6000113.5F45 L79 M81 V85F45-F83 HydrophobicContact CB-CD1 3.95Å; F45-F83 HydrophobicContact CB-CD2 3.89Å; F45-F83 HydrophobicContact CB-CE1 3.45Å; F45-F83 VanDerWaalsContact CB-CE1 3.45Å; F45-F83 HydrophobicContact CB-CE2 3.41Å; F45-F83 VanDerWaalsContact CB-CE2 3.41Å; F45-F83 HydrophobicContact CB-CG 4.16Å; F45-F83 HydrophobicContact CB-CZ 3.17Å; F45-F83 HydrophobicContact CD1-CB 4.12Å; F45-F83 AromaticContact CD1-CD1 3.8Å; F45-F83 HydrophobicContact CD1-CD1 3.8Å; F45-F83 AromaticContact CD1-CD2 3.95Å; F45-F83 HydrophobicContact CD1-CD2 3.95Å; F45-F83 HydrophobicContact CD1-CE1 4.21Å; F45-F83 HydrophobicContact CD1-CE2 4.36Å; F45-F83 AromaticContact CD1-CG 3.68Å; F45-F83 HydrophobicContact CD1-CG 3.68Å; F45-F83 HydrophobicContact CD1-CZ 4.49Å; F45-F83 AromaticContact CD2-CD2 3.57Å; F45-F83 HydrophobicContact CD2-CD2 3.57Å; F45-F83 AromaticContact CD2-CE2 3.7Å; F45-F83 HydrophobicContact CD2-CE2 3.7Å; F45-F83 HydrophobicContact CD2-CG 4.17Å; F45-F83 HydrophobicContact CD2-CZ 4.37Å; F45-F83 HydrophobicContact CE1-CB 4.04Å; F45-F83 HydrophobicContact CE1-CD2 4.4Å; F45-F83 HydrophobicContact CE1-CG 4.08Å; F45-F83 HydrophobicContact CE2-CD2 4.04Å; F45-F83 AromaticContact CG-CD1 3.94Å; F45-F83 HydrophobicContact CG-CD1 3.94Å; F45-F83 AromaticContact CG-CD2 3.53Å; F45-F83 HydrophobicContact CG-CD2 3.53Å; F45-F83 AromaticContact CG-CE1 3.97Å; F45-F83 HydrophobicContact CG-CE1 3.97Å; F45-F83 AromaticContact CG-CE2 3.58Å; F45-F83 HydrophobicContact CG-CE2 3.58Å; F45-F83 AromaticContact CG-CG 3.74Å; F45-F83 HydrophobicContact CG-CG 3.74Å; F45-F83 AromaticContact CG-CZ 3.81Å; F45-F83 HydrophobicContact CG-CZ 3.81Å; F45-F83 HydrophobicContact CZ-CB 4.37Å; F45-F83 HydrophobicContact CZ-CD2 4.43Å; F45-F83 HydrophobicContact CZ-CG 4.48Å; L79-F83 HydrophobicContact CD2-CE2 4.14Å; L79-F83 WeakPolarHBondContact O-CD2 3.45Å; L79-F83 PolarHBondContact O-N 3.34Å; L79-F83 VanDerWaalsContact O-N 3.08Å; M81-F83 PolarHBondContact O-N 2.98Å; F83-V85 VanDerWaalsContact C-N 3.3Å; F83-V85 HydrophobicContact CB-CG1 4.36Å; F83-V85 HydrophobicContact CB-CG2 4.06Å; F83-V85 PolarHBondContact O-N 2.8Å
84E92.5Very high95.5Very high102 Ų10224.4 Ų24.448%0.47711%0.111SC..THydrogen-bonded Turntrans54.643.3-178.6-51.8173.1157.100113.1K48 A80 M81 C263 K266K48-E84 IonicContact NZ-OE2 3.18Å; K48-E84 PolarHBondContact NZ-OE2 3.49Å; A80-E84 PolarHBondContact O-N 3.32Å; M81-E84 PolarHBondContact O-N 2.87Å; E84-C263 PolarHBondContact O-SG 2.77Å; E84-C263 VanDerWaalsContact O-SG 3.41Å; E84-K266 PolarHBondContact O-NZ 3.47Å
85V93.8Very high94.5Very high12 Ų1225.5 Ų25.57%0.07312%0.118CC..  trans-119.7163.1-177.8-67.30000111.2F45 V57 A80 F83 H261F45-V85 HydrophobicContact CZ-CG2 4.14Å; V57-V85 HydrophobicContact CG2-CG2 4.22Å; A80-V85 HydrophobicContact CB-CG2 4.39Å; A80-V85 PolarHBondContact O-N 3.26Å; F83-V85 VanDerWaalsContact C-N 3.3Å; F83-V85 HydrophobicContact CB-CG1 4.36Å; F83-V85 HydrophobicContact CB-CG2 4.06Å; F83-V85 PolarHBondContact O-N 2.8Å; V85-H261 PolarHBondContact O-CE1 2.87Å; V85-H261 PolarHBondContact O-NE2 3.47Å
86P96.2Very high93.3Very high1 Ų124 Ų241%0.00611%0.113CC..  trans-55.7155.8173.2-26.936.3000113.8G56 V57 K266 I267G56-P86 CarbonylContact C-O 3.51Å; G56-P86 VanDerWaalsContact CA-O 3.28Å; G56-P86 WeakPolarHBondContact CA-O 3.46Å; V57-P86 PolarHBondContact N-O 3.23Å; P86-K266 HydrophobicContact CG-CB 3.87Å; P86-I267 HydrophobicContact CB-CG1 3.84Å; P86-I267 HydrophobicContact CG-CG1 4.14Å
87L97.9Very high92.5Very high0 Ų024.7 Ų24.70%012%0.116CC..EExtended strand (participates in β ladder)trans-117.1127.3168.2175.864.5000107.9V57 F73 A76 Q77 A80 I124 P125 H261V57-L87 HydrophobicContact CB-CD1 4.21Å; V57-L87 HydrophobicContact CG1-CD1 4.33Å; F73-L87 HydrophobicContact CD1-CD2 4.38Å; F73-L87 HydrophobicContact CE1-CD2 3.76Å; A76-L87 HydrophobicContact CB-CD1 3.76Å; Q77-L87 HydrophobicContact CB-CD2 3.71Å; Q77-L87 HydrophobicContact CG-CD2 4.18Å; A80-L87 HydrophobicContact CB-CB 3.84Å; A80-L87 HydrophobicContact CB-CD1 4.3Å; L87-I124 HydrophobicContact CD2-CD1 3.96Å; L87-I124 HydrophobicContact CD2-CG1 4.17Å; L87-I124 HydrophobicContact CD2-CG2 4.3Å; L87-I124 HydrophobicContact CG-CG2 4.16Å; L87-P125 VanDerWaalsContact O-CD 3.26Å; L87-P125 WeakPolarHBondContact O-CD 3.27Å; L87-H261 PolarHBondContact N-CD2 3.11Å; L87-H261 PolarHBondContact N-NE2 3.14Å
88H98.5Very high91.3Very high4 Ų425.3 Ų25.32%0.01912%0.119CC..EExtended strand (participates in β ladder)trans-117.3149174.1-66.6-86.8000109.9V57 L58 Y59 H127 L183V57-H88 PolarHBondContact O-N 2.92Å; L58-H88 HydrophobicContact CD1-CB 3.74Å; Y59-H88 PolarHBondContact N-O 3.01Å; H88-H127 AromaticContact CE1-NE2 3.94Å; H88-H127 AromaticContact CG-NE2 3.78Å; H88-H127 AromaticContact ND1-CD2 3.95Å; H88-H127 AromaticContact ND1-NE2 3.07Å; H88-H127 PolarHBondContact ND1-NE2 3.36Å; H88-L183 HydrophobicContact CB-CD1 4.03Å
89V98.7Very high90.6Very high0 Ų021.8 Ų21.80%011%0.106CC..EExtended strand (participates in β ladder)trans-118.9138.5169.8178.90000107.8Y59 M61 F73 I124 P125 F126 H127Y59-V89 HydrophobicContact CD1-CG1 4.24Å; Y59-V89 HydrophobicContact CD1-CG2 4.22Å; Y59-V89 CarbonylContact O-C 3.45Å; Y59-V89 VanDerWaalsContact O-CA 3.3Å; Y59-V89 WeakPolarHBondContact O-CA 3.44Å; M61-V89 HydrophobicContact CB-CG1 4.23Å; M61-V89 HydrophobicContact CE-CG1 4.32Å; F73-V89 HydrophobicContact CD2-CG2 4.45Å; F73-V89 HydrophobicContact CE1-CG2 4.2Å; F73-V89 HydrophobicContact CE2-CG2 3.59Å; F73-V89 HydrophobicContact CZ-CG2 3.45Å; F73-V89 VanDerWaalsContact CZ-CG2 3.45Å; V89-I124 HydrophobicContact CG2-CG2 3.69Å; V89-P125 PolarHBondContact N-O 2.92Å; V89-F126 HydrophobicContact CB-CD2 4.25Å; V89-F126 HydrophobicContact CG1-CD2 3.86Å; V89-F126 HydrophobicContact CG1-CE2 4.14Å; V89-F126 CarbonylContact O-C 3.58Å; V89-F126 WeakPolarHBondContact O-CA 3.48Å; V89-H127 PolarHBondContact O-CD2 3.37Å; V89-H127 PolarHBondContact O-N 2.96Å
90C98.6Very high90.1Very high0 Ų022.4 Ų22.40%011%0.109CC..EExtended strand (participates in β ladder)trans-128.4151.3166.572.70000111.8L58 Y59 M61 H127 L129 L179L58-C90 HydrophobicContact CD1-CB 4Å; Y59-C90 PolarHBondContact O-N 3Å; M61-C90 PolarHBondContact N-O 2.94Å; C90-H127 CarbonylContact C-O 3.2Å; C90-H127 WeakPolarHBondContact CA-O 3.33Å; C90-H127 HydrophobicContact CB-CB 3.84Å; C90-H127 WeakPolarHBondContact CB-O 3.42Å; C90-L129 HydrophobicContact CB-CD1 4.23Å; C90-L179 HydrophobicContact CB-CD2 3.51Å
91F98.2Very high89.9Confident7 Ų722.4 Ų22.43%0.03111%0.109CC..EExtended strand (participates in β ladder)trans-127.4130.5168.9-174.2-86.4000108.6M61 S62 Q65 L93 M108 L112 F126 H127 L128 L129M61-F91 HydrophobicContact CB-CD2 4.42Å; M61-F91 HydrophobicContact CG-CD2 4.21Å; M61-F91 VanDerWaalsContact O-CD2 3.29Å; M61-F91 WeakPolarHBondContact O-CD2 3.29Å; S62-F91 WeakPolarHBondContact O-CE2 3.47Å; Q65-F91 HydrophobicContact CG-CE2 3.97Å; F91-L93 HydrophobicContact CD1-CD2 4.2Å; F91-L93 HydrophobicContact CD1-CG 4.18Å; F91-L93 HydrophobicContact CE1-CD2 3.71Å; F91-L93 HydrophobicContact CE1-CG 4.12Å; F91-M108 HydrophobicContact CE1-CE 4.49Å; F91-M108 HydrophobicContact CE1-SD 4.46Å; F91-M108 HydrophobicContact CZ-SD 4.01Å; F91-L112 HydrophobicContact CB-CD2 4.46Å; F91-L112 HydrophobicContact CD1-CD1 3.67Å; F91-L112 HydrophobicContact CD1-CD2 4.43Å; F91-L112 HydrophobicContact CD2-CD1 4.34Å; F91-L112 HydrophobicContact CD2-CD2 3.75Å; F91-L112 HydrophobicContact CE1-CD1 3.63Å; F91-L112 HydrophobicContact CE2-CD1 4.29Å; F91-L112 HydrophobicContact CE2-CD2 4.07Å; F91-L112 HydrophobicContact CG-CD1 4.04Å; F91-L112 HydrophobicContact CG-CD2 3.95Å; F91-L112 HydrophobicContact CZ-CD1 3.95Å; F91-F126 HydrophobicContact CB-CE2 4.23Å; F91-F126 HydrophobicContact CB-CZ 3.77Å; F91-H127 PolarHBondContact N-O 3.42Å; F91-L128 HydrophobicContact CB-CD1 4.46Å; F91-L128 HydrophobicContact CD1-CD1 4.18Å; F91-L129 PolarHBondContact O-N 3.25Å
92C96.2Very high89.9Confident8 Ų822.8 Ų22.85%0.05411%0.112CC..EExtended strand (participates in β ladder)trans-102.1110.4177.7-169.50000110.2V94 L129 V176C92-V94 PolarHBondContact O-N 3.3Å; C92-L129 HydrophobicContact CB-CB 4.18Å; C92-V176 HydrophobicContact CB-CG2 4.43Å
93L92.9Very high90.1Very high11 Ų1116.9 Ų16.96%0.0589%0.086CC..EExtended strand (participates in β ladder)trans-70.8113.5172.1-74.6169.7000109.4F91 F105 M108 I109 L128 L129 I130 A131 I279F91-L93 HydrophobicContact CD1-CD2 4.2Å; F91-L93 HydrophobicContact CD1-CG 4.18Å; F91-L93 HydrophobicContact CE1-CD2 3.71Å; F91-L93 HydrophobicContact CE1-CG 4.12Å; L93-F105 HydrophobicContact CD2-CE2 4.13Å; L93-M108 HydrophobicContact CD2-CE 3.53Å; L93-I109 HydrophobicContact CD1-CD1 4.21Å; L93-I109 HydrophobicContact CD2-CD1 3.77Å; L93-L128 HydrophobicContact CD1-CD1 3.72Å; L93-L128 HydrophobicContact CD1-CD2 3.84Å; L93-L128 HydrophobicContact CD1-CG 4.02Å; L93-L128 HydrophobicContact CG-CD1 3.84Å; L93-L129 PolarHBondContact N-O 2.93Å; L93-I130 HydrophobicContact CD1-CG1 4.26Å; L93-A131 WeakPolarHBondContact O-CB 3.31Å; L93-A131 PolarHBondContact O-N 3.12Å; L93-I279 HydrophobicContact CD1-CG2 3.85Å
94V89.1Confident90.3Very high20 Ų2014.4 Ų14.412%0.1218%0.075CC..  trans-103122.8174.8-173.40000108.9C92 A96 A131 Y168 V172 W201C92-V94 PolarHBondContact O-N 3.3Å; V94-A96 PolarHBondContact O-N 3.1Å; V94-A131 HydrophobicContact CG2-CB 4.49Å; V94-Y168 VanDerWaalsContact CG1-CB 3.43Å; V94-Y168 HydrophobicContact CG1-CD1 4.26Å; V94-Y168 HydrophobicContact CG1-CD2 3.41Å; V94-Y168 VanDerWaalsContact CG1-CD2 3.41Å; V94-Y168 HydrophobicContact CG1-CE2 4.23Å; V94-Y168 HydrophobicContact CG1-CG 3.44Å; V94-Y168 VanDerWaalsContact CG1-CG 3.44Å; V94-V172 HydrophobicContact CG2-CG2 3.4Å; V94-V172 VanDerWaalsContact CG2-CG2 3.4Å; V94-W201 HydrophobicContact CB-CH2 3.8Å; V94-W201 HydrophobicContact CB-CZ2 3.99Å; V94-W201 HydrophobicContact CG1-CH2 4.01Å; V94-W201 HydrophobicContact CG1-CZ2 3.66Å; V94-W201 HydrophobicContact CG2-CE3 4.44Å; V94-W201 HydrophobicContact CG2-CH2 3.57Å; V94-W201 HydrophobicContact CG2-CZ2 3.86Å; V94-W201 HydrophobicContact CG2-CZ3 3.93Å
95P77.8Confident90.4Very high23 Ų2310.5 Ų10.515%0.1496%0.056CC..THydrogen-bonded Turntrans-56.8133.1177.2-20.228.8000111.5Y97 Y168P95-Y97 VanDerWaalsContact C-N 3.3Å; P95-Y97 PolarHBondContact O-N 3.11Å; P95-Y97 VanDerWaalsContact O-N 3.11Å; P95-Y168 HydrophobicContact CB-CE1 4.19Å; P95-Y168 HydrophobicContact CB-CE2 4.07Å; P95-Y168 WeakPolarHBondContact CB-OH 3.4Å; P95-Y168 HydrophobicContact CG-CD1 4.42Å; P95-Y168 HydrophobicContact CG-CE1 3.62Å; P95-Y168 HydrophobicContact CG-CE2 4.33Å; P95-Y168 VanDerWaalsContact O-CE2 3.22Å; P95-Y168 WeakPolarHBondContact O-CE2 3.46Å
96A71.8Confident90.6Very high6 Ų610.9 Ų10.95%0.056%0.061CC..THydrogen-bonded Turntrans53.929.2168.900000118.3V94 D100 S143V94-A96 PolarHBondContact O-N 3.1Å; A96-D100 WeakPolarHBondContact CB-OD1 3.4Å; A96-S143 VanDerWaalsContact CB-C 3.42Å; A96-S143 WeakPolarHBondContact CB-O 3.37Å
97Y80.7Confident90.7Very high14 Ų1411.3 Ų11.36%0.0556%0.063CC..SBendtrans-89.7-87.9171.4177.4-112.6000113.3P95 A99 K146 L195 A197 P198 W201 T478P95-Y97 VanDerWaalsContact C-N 3.3Å; P95-Y97 PolarHBondContact O-N 3.11Å; P95-Y97 VanDerWaalsContact O-N 3.11Å; Y97-A99 VanDerWaalsContact C-N 3.28Å; Y97-K146 HydrophobicContact CD2-CG 4.33Å; Y97-K146 WeakPolarHBondContact O-CE 3.34Å; Y97-L195 WeakPolarHBondContact OH-CB 3.36Å; Y97-L195 WeakPolarHBondContact OH-CD1 3.27Å; Y97-A197 HydrophobicContact CD2-CB 3.84Å; Y97-A197 HydrophobicContact CE2-CB 3.55Å; Y97-P198 HydrophobicContact CE1-CG 3.5Å; Y97-P198 VanDerWaalsContact CZ-CG 3.48Å; Y97-P198 WeakPolarHBondContact OH-CD 3.28Å; Y97-P198 WeakPolarHBondContact OH-CG 2.96Å; Y97-W201 AromaticContact CD1-CH2 3.17Å; Y97-W201 HydrophobicContact CD1-CH2 3.17Å; Y97-W201 AromaticContact CD1-CZ2 3.92Å; Y97-W201 HydrophobicContact CD1-CZ2 3.92Å; Y97-W201 AromaticContact CD1-CZ3 3.93Å; Y97-W201 HydrophobicContact CD1-CZ3 3.93Å; Y97-W201 HydrophobicContact CD2-CH2 4.28Å; Y97-W201 HydrophobicContact CD2-CZ2 4.21Å; Y97-W201 AromaticContact CE1-CH2 3.77Å; Y97-W201 HydrophobicContact CE1-CH2 3.77Å; Y97-W201 HydrophobicContact CE1-CZ2 4.5Å; Y97-W201 HydrophobicContact CE1-CZ3 4.19Å; Y97-W201 AromaticContact CG-CH2 3.47Å; Y97-W201 HydrophobicContact CG-CH2 3.47Å; Y97-W201 VanDerWaalsContact CG-CH2 3.47Å; Y97-W201 AromaticContact CG-CZ2 3.75Å; Y97-W201 HydrophobicContact CG-CZ2 3.75Å; Y97-T478 HydrophobicContact CE2-CG2 4.05Å
98Q73.6Confident90.6Very high12 Ų1211.7 Ų11.76%0.0567%0.065CC..SBendtrans-75.3-23.9176.5-89.9164.7-2.800111.7F338Q98-F338 HydrophobicContact CB-CE1 4.46Å
99A81.1Confident90.5Very high3 Ų311.8 Ų11.83%0.0257%0.065CC..  trans-12157.1-174.500000112Y97 T101 Q104 F105 M108 Y283Y97-A99 VanDerWaalsContact C-N 3.28Å; A99-T101 VanDerWaalsContact C-N 3.26Å; A99-T101 PolarHBondContact O-N 3.24Å; A99-Q104 HydrophobicContact CB-CB 4.22Å; A99-F105 HydrophobicContact CB-CB 3.86Å; A99-F105 HydrophobicContact CB-CD2 3.78Å; A99-F105 HydrophobicContact CB-CG 4.32Å; A99-M108 HydrophobicContact CB-CE 3.76Å; A99-M108 HydrophobicContact CB-SD 4.21Å; A99-Y283 PolarHBondContact O-OH 2.7Å; A99-Y283 VanDerWaalsContact O-OH 3.05Å
100D83.4Confident90.5Very high34 Ų3413 Ų1318%0.1828%0.077CC..  trans-67.8-22.5-177.4-166.921.3000113.8A96 Y283 D286A96-D100 WeakPolarHBondContact CB-OD1 3.4Å; D100-Y283 PolarHBondContact O-OH 3.44Å; D100-D286 PolarHBondContact O-N 3.12Å
101T91.8Very high90.5Very high0 Ų013 Ų130%08%0.078CC..BIsolated β-bridgetrans-124.8161.917291.60000112.4A99 R103 Q104 F105 Y283 D286 V289 R472A99-T101 VanDerWaalsContact C-N 3.26Å; A99-T101 PolarHBondContact O-N 3.24Å; T101-R103 PolarHBondContact O-N 3.19Å; T101-R103 VanDerWaalsContact O-N 3.08Å; T101-R103 WeakPolarHBondContact OG1-CB 3.25Å; T101-R103 PolarHBondContact OG1-N 3.41Å; T101-Q104 VanDerWaalsContact CB-OE1 3.25Å; T101-Q104 PolarHBondContact O-N 2.99Å; T101-Q104 VanDerWaalsContact O-N 3.11Å; T101-Q104 PolarHBondContact O-OE1 2.96Å; T101-Q104 PolarHBondContact OG1-OE1 3.08Å; T101-F105 WeakPolarHBondContact O-CB 3.37Å; T101-F105 PolarHBondContact O-N 2.89Å; T101-Y283 WeakPolarHBondContact CA-OH 3.39Å; T101-Y283 PolarHBondContact N-OH 3.04Å; T101-Y283 VanDerWaalsContact N-OH 3.15Å; T101-Y283 PolarHBondContact O-OH 3.14Å; T101-D286 CarbonylContact C-O 3.54Å; T101-D286 VanDerWaalsContact CA-O 3.32Å; T101-D286 WeakPolarHBondContact CA-O 3.36Å; T101-D286 WeakPolarHBondContact CB-O 3.37Å; T101-D286 HydrophobicContact CG2-CB 4.06Å; T101-V289 HydrophobicContact CG2-CB 3.9Å; T101-V289 HydrophobicContact CG2-CG1 4.44Å; T101-V289 HydrophobicContact CG2-CG2 3.88Å; T101-V289 WeakPolarHBondContact OG1-CB 3.31Å; T101-V289 WeakPolarHBondContact OG1-CG1 3.26Å; T101-R472 HydrophobicContact CG2-CG 4.11Å; T101-R472 WeakPolarHBondContact CG2-O 3.32Å
102L93Very high90.5Very high30 Ų3012.7 Ų12.716%0.1578%0.076CC..Hα-helixtrans-54.9-30.6178.7-179.561.9000112A106 L280 Y283 D286 P291L102-A106 WeakPolarHBondContact O-CB 3.35Å; L102-A106 PolarHBondContact O-N 3.01Å; L102-L280 HydrophobicContact CD1-CD1 3.94Å; L102-Y283 HydrophobicContact CB-CD1 4.03Å; L102-Y283 HydrophobicContact CB-CE1 3.86Å; L102-Y283 HydrophobicContact CD1-CD1 3.82Å; L102-Y283 HydrophobicContact CD1-CE1 4.45Å; L102-Y283 HydrophobicContact CD1-CG 4.27Å; L102-Y283 PolarHBondContact N-OH 3.26Å; L102-D286 PolarHBondContact N-O 3.39Å; L102-P291 HydrophobicContact CD2-CG 4.46Å; L102-P291 HydrophobicContact CG-CG 4.09Å
103R95.4Very high90.6Very high12 Ų1213.8 Ų13.85%0.0458%0.083CC..Hα-helixtrans-59-56.9174.5176.4179.9-65.3168.50.9112.7T101 F105 F107 V289 K290 V292 L433 V434 Y473 L475T101-R103 PolarHBondContact O-N 3.19Å; T101-R103 VanDerWaalsContact O-N 3.08Å; T101-R103 WeakPolarHBondContact OG1-CB 3.25Å; T101-R103 PolarHBondContact OG1-N 3.41Å; R103-F105 VanDerWaalsContact C-N 3.32Å; R103-F107 PolarHBondContact O-N 2.95Å; R103-V289 HydrophobicContact CB-CG1 3.94Å; R103-V289 VanDerWaalsContact CZ-CG1 3.42Å; R103-V289 PolarHBondContact N-O 3.01Å; R103-K290 WeakPolarHBondContact CB-O 3.47Å; R103-K290 PolarHBondContact NE-O 3.42Å; R103-K290 PolarHBondContact NH2-O 3.11Å; R103-K290 VanDerWaalsContact NH2-O 3.1Å; R103-V292 HydrophobicContact CG-CG1 4.34Å; R103-L433 PolarHBondContact NH1-O 3.26Å; R103-V434 VanDerWaalsContact CZ-O 3.25Å; R103-V434 PolarHBondContact NH1-O 3.15Å; R103-V434 PolarHBondContact NH2-O 3.39Å; R103-Y473 PolarHBondContact NH1-O 3.34Å; R103-L475 HydrophobicContact CG-CD2 3.65Å; R103-L475 HydrophobicContact CG-CG 4.07Å
104Q96Very high90.9Very high3 Ų315.5 Ų15.51%0.0149%0.091CC..Hα-helixtrans-67-39.4-179.6-68.592.8-6.300110.2A99 T101 F107 M108 F338 D471 R472 S474A99-Q104 HydrophobicContact CB-CB 4.22Å; T101-Q104 VanDerWaalsContact CB-OE1 3.25Å; T101-Q104 PolarHBondContact O-N 2.99Å; T101-Q104 VanDerWaalsContact O-N 3.11Å; T101-Q104 PolarHBondContact O-OE1 2.96Å; T101-Q104 PolarHBondContact OG1-OE1 3.08Å; Q104-F107 PolarHBondContact O-N 3.18Å; Q104-M108 WeakPolarHBondContact O-CB 3.26Å; Q104-M108 PolarHBondContact O-N 2.86Å; Q104-F338 HydrophobicContact CB-CZ 3.98Å; Q104-F338 HydrophobicContact CG-CZ 4.41Å; Q104-D471 PolarHBondContact NE2-O 3.37Å; Q104-R472 PolarHBondContact NE2-O 3.29Å; Q104-S474 PolarHBondContact NE2-O 2.79Å
105F95.1Very high91.3Very high20 Ų2014.6 Ų14.69%0.0889%0.085CC..Hα-helixtrans-61.4-49.4179.5-168.1-103.7000112.4L93 A99 T101 R103 F107 M108 I109 I279 L280 Y283L93-F105 HydrophobicContact CD2-CE2 4.13Å; A99-F105 HydrophobicContact CB-CB 3.86Å; A99-F105 HydrophobicContact CB-CD2 3.78Å; A99-F105 HydrophobicContact CB-CG 4.32Å; T101-F105 WeakPolarHBondContact O-CB 3.37Å; T101-F105 PolarHBondContact O-N 2.89Å; R103-F105 VanDerWaalsContact C-N 3.32Å; F105-F107 VanDerWaalsContact C-N 3.28Å; F105-F107 PolarHBondContact O-N 3.44Å; F105-M108 HydrophobicContact CD2-CE 4.04Å; F105-M108 HydrophobicContact CE2-CE 4.22Å; F105-M108 PolarHBondContact O-N 2.91Å; F105-I109 HydrophobicContact CD1-CG1 3.97Å; F105-I109 HydrophobicContact CD2-CG1 4.34Å; F105-I109 HydrophobicContact CE1-CD1 4.29Å; F105-I109 HydrophobicContact CE1-CG1 3.67Å; F105-I109 HydrophobicContact CE2-CD1 4.1Å; F105-I109 HydrophobicContact CE2-CG1 4.06Å; F105-I109 HydrophobicContact CG-CG1 4.3Å; F105-I109 HydrophobicContact CZ-CD1 3.85Å; F105-I109 HydrophobicContact CZ-CG1 3.72Å; F105-I109 WeakPolarHBondContact O-CB 3.37Å; F105-I109 VanDerWaalsContact O-CG1 3.29Å; F105-I109 WeakPolarHBondContact O-CG1 3.38Å; F105-I109 PolarHBondContact O-N 3.47Å; F105-I279 HydrophobicContact CE1-CG2 4.27Å; F105-I279 WeakPolarHBondContact CE1-O 3.31Å; F105-I279 HydrophobicContact CZ-CG2 3.83Å; F105-L280 HydrophobicContact CD1-CD1 3.9Å; F105-L280 HydrophobicContact CE1-CD1 4.28Å; F105-Y283 HydrophobicContact CB-CD2 3.85Å; F105-Y283 HydrophobicContact CB-CE2 3.62Å; F105-Y283 HydrophobicContact CB-CG 4.47Å; F105-Y283 AromaticContact CD1-CD2 3.37Å; F105-Y283 HydrophobicContact CD1-CD2 3.37Å; F105-Y283 HydrophobicContact CD1-CE2 4.06Å; F105-Y283 AromaticContact CD1-CG 3.76Å; F105-Y283 HydrophobicContact CD1-CG 3.76Å; F105-Y283 AromaticContact CD2-CD2 3.61Å; F105-Y283 HydrophobicContact CD2-CD2 3.61Å; F105-Y283 AromaticContact CD2-CE2 3.68Å; F105-Y283 HydrophobicContact CD2-CE2 3.68Å; F105-Y283 AromaticContact CE1-CD2 3.7Å; F105-Y283 HydrophobicContact CE1-CD2 3.7Å; F105-Y283 HydrophobicContact CE1-CG 4.12Å; F105-Y283 AromaticContact CE2-CD2 3.94Å; F105-Y283 HydrophobicContact CE2-CD2 3.94Å; F105-Y283 HydrophobicContact CE2-CE2 4.33Å; F105-Y283 AromaticContact CG-CD2 3.31Å; F105-Y283 HydrophobicContact CG-CD2 3.31Å; F105-Y283 AromaticContact CG-CE2 3.51Å; F105-Y283 HydrophobicContact CG-CE2 3.51Å; F105-Y283 HydrophobicContact CG-CG 4.09Å; F105-Y283 AromaticContact CZ-CD2 3.97Å; F105-Y283 HydrophobicContact CZ-CD2 3.97Å
106A96.6Very high92.3Very high21 Ų2114.4 Ų14.417%0.1748%0.082CC..Hα-helixtrans-59.3-40.1176.800000112.1L102 G110 L280 P291L102-A106 WeakPolarHBondContact O-CB 3.35Å; L102-A106 PolarHBondContact O-N 3.01Å; A106-G110 PolarHBondContact O-N 3.17Å; A106-L280 HydrophobicContact CB-CD1 3.99Å; A106-P291 HydrophobicContact CB-CB 4.21Å; A106-P291 HydrophobicContact CB-CG 3.82Å
107F98Very high93.5Very high9 Ų919.4 Ų19.44%0.03911%0.105CC..Hα-helixtrans-68.2-41.7177.9-167.2-86.8000112.4R103 Q104 F105 G111 A295 P297 P334 W335 F338 Q340 L475R103-F107 PolarHBondContact O-N 2.95Å; Q104-F107 PolarHBondContact O-N 3.18Å; F105-F107 VanDerWaalsContact C-N 3.28Å; F105-F107 PolarHBondContact O-N 3.44Å; F107-G111 PolarHBondContact O-N 3.08Å; F107-A295 HydrophobicContact CD2-CB 4.21Å; F107-A295 HydrophobicContact CE2-CB 3.69Å; F107-P297 HydrophobicContact CD1-CB 4.22Å; F107-P297 HydrophobicContact CD2-CB 3.87Å; F107-P297 HydrophobicContact CE1-CB 4.31Å; F107-P297 HydrophobicContact CE2-CB 3.94Å; F107-P297 HydrophobicContact CG-CB 4.01Å; F107-P297 HydrophobicContact CZ-CB 4.17Å; F107-P297 WeakPolarHBondContact O-CB 3.44Å; F107-P334 HydrophobicContact CE1-CB 4.01Å; F107-P334 HydrophobicContact CE2-CB 4.38Å; F107-P334 HydrophobicContact CZ-CB 3.79Å; F107-W335 HydrophobicContact CE2-CZ2 4.39Å; F107-W335 AromaticContact CZ-CD1 3.97Å; F107-W335 HydrophobicContact CZ-CD2 4.09Å; F107-W335 AromaticContact CZ-CE2 3.84Å; F107-W335 HydrophobicContact CZ-CG 4.2Å; F107-W335 HydrophobicContact CZ-CZ2 4.32Å; F107-W335 AromaticContact CZ-NE1 3.76Å; F107-F338 HydrophobicContact CB-CE2 4.46Å; F107-F338 AromaticContact CD1-CD2 3.34Å; F107-F338 HydrophobicContact CD1-CD2 3.34Å; F107-F338 AromaticContact CD1-CE2 3.53Å; F107-F338 HydrophobicContact CD1-CE2 3.53Å; F107-F338 HydrophobicContact CD1-CG 4.2Å; F107-F338 AromaticContact CE1-CD2 3.65Å; F107-F338 HydrophobicContact CE1-CD2 3.65Å; F107-F338 HydrophobicContact CE1-CE2 4.22Å; F107-F338 HydrophobicContact CE1-CG 4.47Å; F107-F338 HydrophobicContact CG-CE2 4.34Å; F107-Q340 VanDerWaalsContact CE1-OE1 3.23Å; F107-Q340 PolarHBondContact O-NE2 2.86Å; F107-L475 HydrophobicContact CB-CD2 3.74Å; F107-L475 HydrophobicContact CD2-CD1 4.36Å; F107-L475 HydrophobicContact CD2-CD2 4.22Å; F107-L475 HydrophobicContact CG-CD2 3.92Å
108M97.5Very high94.3Very high9 Ų920.9 Ų20.94%0.04411%0.112CC..Hα-helixtrans-63.8-51.5176.5-171.6178.667.100111.4Q65 F91 L93 A99 Q104 F105 G110 G111 L112 F338Q65-M108 VanDerWaalsContact OE1-CG 3.32Å; F91-M108 HydrophobicContact CE1-CE 4.49Å; F91-M108 HydrophobicContact CE1-SD 4.46Å; F91-M108 HydrophobicContact CZ-SD 4.01Å; L93-M108 HydrophobicContact CD2-CE 3.53Å; A99-M108 HydrophobicContact CB-CE 3.76Å; A99-M108 HydrophobicContact CB-SD 4.21Å; Q104-M108 WeakPolarHBondContact O-CB 3.26Å; Q104-M108 PolarHBondContact O-N 2.86Å; F105-M108 HydrophobicContact CD2-CE 4.04Å; F105-M108 HydrophobicContact CE2-CE 4.22Å; F105-M108 PolarHBondContact O-N 2.91Å; M108-G110 VanDerWaalsContact C-N 3.33Å; M108-G110 PolarHBondContact O-N 3.38Å; M108-G111 PolarHBondContact O-N 2.88Å; M108-G111 VanDerWaalsContact O-N 3.09Å; M108-L112 HydrophobicContact CG-CD1 4.17Å; M108-L112 PolarHBondContact O-N 3.28Å; M108-F338 HydrophobicContact CB-CD1 3.9Å; M108-F338 HydrophobicContact CB-CE1 3.64Å; M108-F338 HydrophobicContact CB-CZ 4.31Å; M108-F338 HydrophobicContact CG-CD1 3.86Å; M108-F338 HydrophobicContact CG-CE1 3.92Å; M108-F338 HydrophobicContact SD-CD1 4.42Å; M108-F338 HydrophobicContact SD-CE1 4.18Å
109I96.4Very high95.5Very high6 Ų620.3 Ų20.33%0.03111%0.109CC..Hα-helixtrans-62.3-39.3-178.3-65.9-62000111.7L93 F105 G111 L112 T113 W276 I279L93-I109 HydrophobicContact CD1-CD1 4.21Å; L93-I109 HydrophobicContact CD2-CD1 3.77Å; F105-I109 HydrophobicContact CD1-CG1 3.97Å; F105-I109 HydrophobicContact CD2-CG1 4.34Å; F105-I109 HydrophobicContact CE1-CD1 4.29Å; F105-I109 HydrophobicContact CE1-CG1 3.67Å; F105-I109 HydrophobicContact CE2-CD1 4.1Å; F105-I109 HydrophobicContact CE2-CG1 4.06Å; F105-I109 HydrophobicContact CG-CG1 4.3Å; F105-I109 HydrophobicContact CZ-CD1 3.85Å; F105-I109 HydrophobicContact CZ-CG1 3.72Å; F105-I109 WeakPolarHBondContact O-CB 3.37Å; F105-I109 VanDerWaalsContact O-CG1 3.29Å; F105-I109 WeakPolarHBondContact O-CG1 3.38Å; F105-I109 PolarHBondContact O-N 3.47Å; I109-G111 VanDerWaalsContact C-N 3.28Å; I109-G111 PolarHBondContact O-N 3.19Å; I109-L112 HydrophobicContact CD1-CD1 4.38Å; I109-L112 PolarHBondContact O-N 2.97Å; I109-T113 PolarHBondContact O-N 3.34Å; I109-T113 PolarHBondContact O-OG1 2.76Å; I109-W276 HydrophobicContact CD1-CE3 4.15Å; I109-W276 HydrophobicContact CD1-CZ3 3.82Å; I109-W276 HydrophobicContact CG2-CB 4.32Å; I109-W276 HydrophobicContact CG2-CD2 4.23Å; I109-W276 HydrophobicContact CG2-CE3 3.48Å; I109-W276 VanDerWaalsContact CG2-CE3 3.48Å; I109-W276 HydrophobicContact CG2-CZ3 4.11Å; I109-I279 HydrophobicContact CD1-CG2 3.69Å; I109-I279 HydrophobicContact CG1-CG2 4.32Å
110G97.5Very high96.3Very high24 Ų2426.9 Ų26.925%0.24713%0.133CC..Hα-helixtrans-60.9-38174.900000112.6A106 M108 T113 E114A106-G110 PolarHBondContact O-N 3.17Å; M108-G110 VanDerWaalsContact C-N 3.33Å; M108-G110 PolarHBondContact O-N 3.38Å; G110-T113 WeakPolarHBondContact O-CB 3.39Å; G110-T113 PolarHBondContact O-N 3.32Å; G110-E114 PolarHBondContact O-N 2.89Å
111G98.3Very high96.9Very high1 Ų129 Ų291%0.0115%0.151CC..Hα-helixtrans-69.2-42.9174.600000113F107 M108 I109 T113 E114 V115F107-G111 PolarHBondContact O-N 3.08Å; M108-G111 PolarHBondContact O-N 2.88Å; M108-G111 VanDerWaalsContact O-N 3.09Å; I109-G111 VanDerWaalsContact C-N 3.28Å; I109-G111 PolarHBondContact O-N 3.19Å; G111-T113 PolarHBondContact O-N 3.07Å; G111-E114 WeakPolarHBondContact O-CB 3.31Å; G111-E114 PolarHBondContact O-N 3.11Å; G111-E114 VanDerWaalsContact O-N 3.15Å; G111-V115 PolarHBondContact O-N 3.14Å; G111-V115 VanDerWaalsContact O-N 3.09Å
112L98.4Very high97.2Very high0 Ų030.1 Ų30.10%016%0.157CC..Hα-helixtrans-64.8-29.2176.2-67.8172.8000112.7M61 Q65 F91 M108 I109 E114 V115 E116 F126 W276M61-L112 HydrophobicContact SD-CD2 4.48Å; Q65-L112 HydrophobicContact CB-CD2 4.14Å; Q65-L112 HydrophobicContact CG-CD2 4.16Å; F91-L112 HydrophobicContact CB-CD2 4.46Å; F91-L112 HydrophobicContact CD1-CD1 3.67Å; F91-L112 HydrophobicContact CD1-CD2 4.43Å; F91-L112 HydrophobicContact CD2-CD1 4.34Å; F91-L112 HydrophobicContact CD2-CD2 3.75Å; F91-L112 HydrophobicContact CE1-CD1 3.63Å; F91-L112 HydrophobicContact CE2-CD1 4.29Å; F91-L112 HydrophobicContact CE2-CD2 4.07Å; F91-L112 HydrophobicContact CG-CD1 4.04Å; F91-L112 HydrophobicContact CG-CD2 3.95Å; F91-L112 HydrophobicContact CZ-CD1 3.95Å; M108-L112 HydrophobicContact CG-CD1 4.17Å; M108-L112 PolarHBondContact O-N 3.28Å; I109-L112 HydrophobicContact CD1-CD1 4.38Å; I109-L112 PolarHBondContact O-N 2.97Å; L112-E114 VanDerWaalsContact C-N 3.35Å; L112-V115 PolarHBondContact O-N 3.32Å; L112-E116 WeakPolarHBondContact O-CB 3.37Å; L112-E116 PolarHBondContact O-N 3.36Å; L112-F126 HydrophobicContact CD2-CZ 4.39Å; L112-W276 HydrophobicContact CB-CH2 3.47Å; L112-W276 VanDerWaalsContact CB-CH2 3.47Å; L112-W276 HydrophobicContact CB-CZ2 4.09Å; L112-W276 HydrophobicContact CB-CZ3 3.95Å; L112-W276 HydrophobicContact CD1-CH2 4.39Å; L112-W276 HydrophobicContact CD1-CZ3 4.46Å; L112-W276 WeakPolarHBondContact O-CZ2 3.35Å
113T98.4Very high97.4Very high32 Ų3231.2 Ų31.220%0.19616%0.163CC..Hα-helixtrans-59.7-45.2171.8-56.40000111.3I109 G110 G111 E116 Q117 W276I109-T113 PolarHBondContact O-N 3.34Å; I109-T113 PolarHBondContact O-OG1 2.76Å; G110-T113 WeakPolarHBondContact O-CB 3.39Å; G110-T113 PolarHBondContact O-N 3.32Å; G111-T113 PolarHBondContact O-N 3.07Å; T113-E116 PolarHBondContact O-N 3.32Å; T113-Q117 VanDerWaalsContact O-CG 3.31Å; T113-Q117 WeakPolarHBondContact O-CG 3.35Å; T113-Q117 PolarHBondContact O-N 2.9Å; T113-W276 HydrophobicContact CG2-CG 4.22Å; T113-W276 VanDerWaalsContact OG1-CG 3.27Å
114E98.3Very high97.5Very high47 Ų4730.8 Ų30.822%0.2216%0.161CC..Hα-helixtrans-64.6-42.2175.3-171.4-178.4126.600111.2G110 G111 L112 E116 Q117 E118 G298 T299 Q300G110-E114 PolarHBondContact O-N 2.89Å; G111-E114 WeakPolarHBondContact O-CB 3.31Å; G111-E114 PolarHBondContact O-N 3.11Å; G111-E114 VanDerWaalsContact O-N 3.15Å; L112-E114 VanDerWaalsContact C-N 3.35Å; E114-E116 PolarHBondContact O-N 3.39Å; E114-Q117 PolarHBondContact O-N 2.92Å; E114-E118 PolarHBondContact O-N 3.16Å; E114-G298 WeakPolarHBondContact OE2-CA 3.21Å; E114-T299 WeakPolarHBondContact OE1-CA 3.38Å; E114-T299 WeakPolarHBondContact OE1-CB 3.19Å; E114-T299 PolarHBondContact OE1-N 3.49Å; E114-T299 PolarHBondContact OE2-N 3.44Å; E114-Q300 PolarHBondContact OE1-N 3.39Å
115V98.6Very high97.6Very high1 Ų131.2 Ų31.21%0.00616%0.164CC..Hα-helixtrans-60.1-44.4177.5171.40000111.9M61 V67 G111 L112 E118 C119 F126M61-V115 HydrophobicContact CE-CG1 4.01Å; M61-V115 HydrophobicContact SD-CG1 4.07Å; V67-V115 HydrophobicContact CG2-CG1 4.1Å; G111-V115 PolarHBondContact O-N 3.14Å; G111-V115 VanDerWaalsContact O-N 3.09Å; L112-V115 PolarHBondContact O-N 3.32Å; V115-E118 PolarHBondContact O-N 3.32Å; V115-C119 VanDerWaalsContact O-CB 3.29Å; V115-C119 WeakPolarHBondContact O-CB 3.33Å; V115-C119 PolarHBondContact O-N 3.36Å; V115-C119 PolarHBondContact O-SG 2.93Å; V115-F126 HydrophobicContact CG1-CD2 4.11Å; V115-F126 HydrophobicContact CG1-CE2 3.84Å
116E98.1Very high97.8Very high19 Ų1930.5 Ų30.59%0.08916%0.161CC..Hα-helixtrans-62.9-43.2178.8-171.1-76.7141.200111.3L112 T113 E114 C119 R120 F126 W276L112-E116 WeakPolarHBondContact O-CB 3.37Å; L112-E116 PolarHBondContact O-N 3.36Å; T113-E116 PolarHBondContact O-N 3.32Å; E114-E116 PolarHBondContact O-N 3.39Å; E116-C119 PolarHBondContact O-N 3.17Å; E116-R120 WeakPolarHBondContact O-CB 3.33Å; E116-R120 PolarHBondContact O-N 3Å; E116-R120 IonicContact OE1-CZ 2.94Å; E116-R120 IonicContact OE1-NE 2.79Å; E116-R120 PolarHBondContact OE1-NE 2.96Å; E116-R120 IonicContact OE1-NH2 3.87Å; E116-R120 PolarHBondContact OE1-NH2 3.28Å; E116-R120 IonicContact OE2-CZ 2.63Å; E116-R120 IonicContact OE2-NH1 3.89Å; E116-R120 IonicContact OE2-NH2 3.78Å; E116-R120 PolarHBondContact OE2-NH2 3.21Å; E116-F126 HydrophobicContact CB-CD1 3.93Å; E116-F126 HydrophobicContact CB-CE1 4.33Å; E116-F126 HydrophobicContact CB-CG 4.18Å; E116-F126 HydrophobicContact CG-CB 4.13Å; E116-F126 HydrophobicContact CG-CD1 3.69Å; E116-F126 HydrophobicContact CG-CE1 4.41Å; E116-F126 HydrophobicContact CG-CG 4.08Å; E116-W276 HydrophobicContact CB-CZ2 3.91Å; E116-W276 HydrophobicContact CG-CZ2 4.32Å
117Q97.9Very high97.8Very high111 Ų11130 Ų3052%0.51916%0.155SC..Hα-helixtrans-64-44.8176.9-70.2172.24.900112T113 E114 R120 S121T113-Q117 VanDerWaalsContact O-CG 3.31Å; T113-Q117 WeakPolarHBondContact O-CG 3.35Å; T113-Q117 PolarHBondContact O-N 2.9Å; E114-Q117 PolarHBondContact O-N 2.92Å; Q117-R120 PolarHBondContact O-N 2.79Å; Q117-S121 PolarHBondContact O-N 3.33Å
118E98.1Very high97.8Very high44 Ų4431.3 Ų31.321%0.20616%0.162CC..Hα-helixtrans-65.6-45.1177.8-170.6177.9171.300110.8V67 Q68 E114 V115 R120 S121 L122V67-E118 VanDerWaalsContact CB-CD 3.48Å; V67-E118 HydrophobicContact CB-CG 4.11Å; V67-E118 WeakPolarHBondContact CB-OE2 3.43Å; V67-E118 HydrophobicContact CG1-CG 4.19Å; V67-E118 HydrophobicContact CG2-CB 3.94Å; V67-E118 HydrophobicContact CG2-CG 4.02Å; Q68-E118 VanDerWaalsContact CG-OE1 3.27Å; Q68-E118 WeakPolarHBondContact CG-OE1 3.45Å; Q68-E118 PolarHBondContact NE2-OE1 2.95Å; E114-E118 PolarHBondContact O-N 3.16Å; V115-E118 PolarHBondContact O-N 3.32Å; E118-R120 VanDerWaalsContact C-N 3.31Å; E118-R120 PolarHBondContact O-N 2.92Å; E118-S121 PolarHBondContact O-N 3.1Å; E118-S121 VanDerWaalsContact O-N 3.12Å; E118-S121 PolarHBondContact O-OG 3.25Å; E118-L122 HydrophobicContact CG-CD1 3.91Å; E118-L122 WeakPolarHBondContact O-CG 3.49Å; E118-L122 PolarHBondContact O-N 3.02Å; E118-L122 VanDerWaalsContact O-N 3.11Å
119C98.2Very high97.7Very high0 Ų032.1 Ų32.10%017%0.167CC..Hα-helixtrans-53.7-47.1173.6-740000111.7V115 E116 S121 L122 N123 I124 F126V115-C119 VanDerWaalsContact O-CB 3.29Å; V115-C119 WeakPolarHBondContact O-CB 3.33Å; V115-C119 PolarHBondContact O-N 3.36Å; V115-C119 PolarHBondContact O-SG 2.93Å; E116-C119 PolarHBondContact O-N 3.17Å; C119-S121 PolarHBondContact O-N 2.99Å; C119-L122 CarbonylContact O-C 3.53Å; C119-L122 PolarHBondContact O-N 3.14Å; C119-L122 VanDerWaalsContact O-N 3.1Å; C119-N123 PolarHBondContact O-N 3.2Å; C119-I124 CarbonylContact C-O 3.51Å; C119-I124 HydrophobicContact CB-CB 4.43Å; C119-I124 WeakPolarHBondContact CB-O 3.49Å; C119-I124 PolarHBondContact O-N 3.15Å; C119-F126 HydrophobicContact CB-CB 4.16Å
120R96.8Very high97.5Very high142 Ų14233.9 Ų33.954%0.53618%0.176SC..Hα-helixtrans-59.8-44.2177.3-170.7-172.2-61.4147.2-3.9111.9E116 Q117 E118 L122 N123E116-R120 WeakPolarHBondContact O-CB 3.33Å; E116-R120 PolarHBondContact O-N 3Å; E116-R120 IonicContact OE1-CZ 2.94Å; E116-R120 IonicContact OE1-NE 2.79Å; E116-R120 PolarHBondContact OE1-NE 2.96Å; E116-R120 IonicContact OE1-NH2 3.87Å; E116-R120 PolarHBondContact OE1-NH2 3.28Å; E116-R120 IonicContact OE2-CZ 2.63Å; E116-R120 IonicContact OE2-NH1 3.89Å; E116-R120 IonicContact OE2-NH2 3.78Å; E116-R120 PolarHBondContact OE2-NH2 3.21Å; Q117-R120 PolarHBondContact O-N 2.79Å; E118-R120 VanDerWaalsContact C-N 3.31Å; E118-R120 PolarHBondContact O-N 2.92Å; R120-L122 PolarHBondContact O-N 3.19Å; R120-N123 PolarHBondContact O-N 3.33Å; R120-N123 VanDerWaalsContact O-N 3.14Å
121S97.2Very high97Very high79 Ų7932.8 Ų32.855%0.55216%0.164SC*.Hα-helixtrans-62.5-26.1177.980.60000113.1Q117 E118 C119Q117-S121 PolarHBondContact O-N 3.33Å; E118-S121 PolarHBondContact O-N 3.1Å; E118-S121 VanDerWaalsContact O-N 3.12Å; E118-S121 PolarHBondContact O-OG 3.25Å; C119-S121 PolarHBondContact O-N 2.99Å
122L97.7Very high96.1Very high22 Ų2234 Ų3412%0.11517%0.172CC..THydrogen-bonded Turntrans-95.49.6179.9-62.5167.5000113.1V67 E118 C119 R120 I124 I258 K260 H261V67-L122 HydrophobicContact CG1-CD1 3.67Å; E118-L122 HydrophobicContact CG-CD1 3.91Å; E118-L122 WeakPolarHBondContact O-CG 3.49Å; E118-L122 PolarHBondContact O-N 3.02Å; E118-L122 VanDerWaalsContact O-N 3.11Å; C119-L122 CarbonylContact O-C 3.53Å; C119-L122 PolarHBondContact O-N 3.14Å; C119-L122 VanDerWaalsContact O-N 3.1Å; R120-L122 PolarHBondContact O-N 3.19Å; L122-I124 VanDerWaalsContact C-N 3.26Å; L122-I124 HydrophobicContact CB-CD1 3.8Å; L122-I124 HydrophobicContact CB-CG1 4.3Å; L122-I124 PolarHBondContact O-N 3.05Å; L122-I258 HydrophobicContact CD1-CG2 3.92Å; L122-K260 CarbonylContact O-C 3.57Å; L122-K260 VanDerWaalsContact O-CA 3.32Å; L122-K260 WeakPolarHBondContact O-CA 3.41Å; L122-H261 PolarHBondContact O-N 3.26Å
123N97.2Very high95.3Very high54 Ų5439.6 Ų39.629%0.28920%0.202SC..THydrogen-bonded Turntrans55.636.2-175-69.68000113.9C119 R120 K260 S264C119-N123 PolarHBondContact O-N 3.2Å; R120-N123 PolarHBondContact O-N 3.33Å; R120-N123 VanDerWaalsContact O-N 3.14Å; N123-K260 HydrophobicContact CB-CG 4.21Å; N123-K260 WeakPolarHBondContact ND2-CE 3.4Å; N123-K260 VanDerWaalsContact OD1-CE 3.26Å; N123-K260 WeakPolarHBondContact OD1-CE 3.46Å; N123-S264 PolarHBondContact ND2-OG 3.25Å
124I97.9Very high94.3Very high2 Ų240.7 Ų40.71%0.0121%0.205CC..  trans-113.4115.4178.3-64.5160.5000107.6F73 L87 V89 C119 L122 F126 I258 H261F73-I124 HydrophobicContact CE1-CD1 3.86Å; F73-I124 HydrophobicContact CZ-CD1 4.01Å; F73-I124 HydrophobicContact CZ-CG2 4.17Å; L87-I124 HydrophobicContact CD2-CD1 3.96Å; L87-I124 HydrophobicContact CD2-CG1 4.17Å; L87-I124 HydrophobicContact CD2-CG2 4.3Å; L87-I124 HydrophobicContact CG-CG2 4.16Å; V89-I124 HydrophobicContact CG2-CG2 3.69Å; C119-I124 CarbonylContact C-O 3.51Å; C119-I124 HydrophobicContact CB-CB 4.43Å; C119-I124 WeakPolarHBondContact CB-O 3.49Å; C119-I124 PolarHBondContact O-N 3.15Å; L122-I124 VanDerWaalsContact C-N 3.26Å; L122-I124 HydrophobicContact CB-CD1 3.8Å; L122-I124 HydrophobicContact CB-CG1 4.3Å; L122-I124 PolarHBondContact O-N 3.05Å; I124-F126 PolarHBondContact O-N 3.23Å; I124-I258 HydrophobicContact CD1-CG2 4.12Å; I124-H261 HydrophobicContact CD1-CB 4.47Å; I124-H261 HydrophobicContact CG1-CB 3.82Å
125P98.1Very high93.1Very high12 Ų1239.2 Ų39.28%0.07820%0.199CC..  trans-66.6133.5178.7-22.234.4000112.1L87 V89 I267 L270 P271L87-P125 VanDerWaalsContact O-CD 3.26Å; L87-P125 WeakPolarHBondContact O-CD 3.27Å; V89-P125 PolarHBondContact N-O 2.92Å; P125-I267 HydrophobicContact CG-CD1 3.52Å; P125-I267 HydrophobicContact CG-CG1 4.25Å; P125-I267 HydrophobicContact CG-CG2 4.15Å; P125-L270 HydrophobicContact CG-CD2 4.24Å; P125-P271 HydrophobicContact CB-CG 3.98Å
126F98.3Very high91.7Very high5 Ų546.9 Ų46.92%0.02224%0.24CC..EExtended strand (participates in β ladder)trans-108.7115.6176.5-179.1-88.5000110.5V89 F91 L112 V115 E116 C119 I124 L128 P271 W276V89-F126 HydrophobicContact CB-CD2 4.25Å; V89-F126 HydrophobicContact CG1-CD2 3.86Å; V89-F126 HydrophobicContact CG1-CE2 4.14Å; V89-F126 CarbonylContact O-C 3.58Å; V89-F126 WeakPolarHBondContact O-CA 3.48Å; F91-F126 HydrophobicContact CB-CE2 4.23Å; F91-F126 HydrophobicContact CB-CZ 3.77Å; L112-F126 HydrophobicContact CD2-CZ 4.39Å; V115-F126 HydrophobicContact CG1-CD2 4.11Å; V115-F126 HydrophobicContact CG1-CE2 3.84Å; E116-F126 HydrophobicContact CB-CD1 3.93Å; E116-F126 HydrophobicContact CB-CE1 4.33Å; E116-F126 HydrophobicContact CB-CG 4.18Å; E116-F126 HydrophobicContact CG-CB 4.13Å; E116-F126 HydrophobicContact CG-CD1 3.69Å; E116-F126 HydrophobicContact CG-CE1 4.41Å; E116-F126 HydrophobicContact CG-CG 4.08Å; C119-F126 HydrophobicContact CB-CB 4.16Å; I124-F126 PolarHBondContact O-N 3.23Å; F126-L128 HydrophobicContact CE1-CB 4.28Å; F126-L128 HydrophobicContact CE1-CD1 4.41Å; F126-P271 VanDerWaalsContact O-CB 3.3Å; F126-P271 WeakPolarHBondContact O-CB 3.38Å; F126-P271 WeakPolarHBondContact O-CG 3.3Å; F126-W276 HydrophobicContact CE1-CH2 4.01Å; F126-W276 HydrophobicContact CE1-CZ2 4.01Å; F126-W276 HydrophobicContact CZ-CH2 4.43Å
127H98.1Very high90.1Very high12 Ų1253.2 Ų53.26%0.05626%0.263CS..EExtended strand (participates in β ladder)trans-100.7113.6-179.2-59.4-91.9000110.3H88 V89 C90 F91 L179H88-H127 AromaticContact CE1-NE2 3.94Å; H88-H127 AromaticContact CG-NE2 3.78Å; H88-H127 AromaticContact ND1-CD2 3.95Å; H88-H127 AromaticContact ND1-NE2 3.07Å; H88-H127 PolarHBondContact ND1-NE2 3.36Å; V89-H127 PolarHBondContact O-CD2 3.37Å; V89-H127 PolarHBondContact O-N 2.96Å; C90-H127 CarbonylContact C-O 3.2Å; C90-H127 WeakPolarHBondContact CA-O 3.33Å; C90-H127 HydrophobicContact CB-CB 3.84Å; C90-H127 WeakPolarHBondContact CB-O 3.42Å; F91-H127 PolarHBondContact N-O 3.42Å; H127-L179 HydrophobicContact CB-CD2 3.76Å
128L97.4Very high88.3Confident35 Ų3552.6 Ų52.618%0.18327%0.268CS..EExtended strand (participates in β ladder)trans-87.1116.6170.2-171.867.5000109.6F91 L93 F126 V274 W276 I279F91-L128 HydrophobicContact CB-CD1 4.46Å; F91-L128 HydrophobicContact CD1-CD1 4.18Å; L93-L128 HydrophobicContact CD1-CD1 3.72Å; L93-L128 HydrophobicContact CD1-CD2 3.84Å; L93-L128 HydrophobicContact CD1-CG 4.02Å; L93-L128 HydrophobicContact CG-CD1 3.84Å; F126-L128 HydrophobicContact CE1-CB 4.28Å; F126-L128 HydrophobicContact CE1-CD1 4.41Å; L128-V274 HydrophobicContact CB-CG2 3.86Å; L128-V274 HydrophobicContact CD2-CG1 3.53Å; L128-V274 HydrophobicContact CD2-CG2 4.39Å; L128-W276 HydrophobicContact CD1-CH2 4.09Å; L128-W276 HydrophobicContact CD1-CZ3 4.26Å; L128-W276 HydrophobicContact CD2-CH2 4.19Å; L128-W276 HydrophobicContact CD2-CZ3 3.94Å; L128-I279 HydrophobicContact CD2-CD1 4.04Å; L128-I279 HydrophobicContact CD2-CG1 4.02Å
129L95.8Very high86.5Confident27 Ų2756.9 Ų56.914%0.14129%0.288CS..EExtended strand (participates in β ladder)trans-100.9146.5172.9-55.8173.5000109C90 F91 C92 L93 V176 L179C90-L129 HydrophobicContact CB-CD1 4.23Å; F91-L129 PolarHBondContact O-N 3.25Å; C92-L129 HydrophobicContact CB-CB 4.18Å; L93-L129 PolarHBondContact N-O 2.93Å; L129-V176 HydrophobicContact CD1-CG2 4.13Å; L129-L179 HydrophobicContact CD1-CB 4.34Å; L129-L179 HydrophobicContact CD1-CD2 3.96Å; L129-L179 HydrophobicContact CD2-CB 4.36Å; L129-L179 HydrophobicContact CD2-CD2 4.15Å; L129-L179 HydrophobicContact CG-CD2 4.31Å
130I91.3Very high84.5Confident43 Ų4358.4 Ų58.422%0.22130%0.297CS..EExtended strand (participates in β ladder)trans-125.7106.4177.8-57.4176.3000107.4L93 S132 N133 I279L93-I130 HydrophobicContact CD1-CG1 4.26Å; I130-S132 VanDerWaalsContact CG2-OG 3.24Å; I130-S132 WeakPolarHBondContact CG2-OG 3.4Å; I130-S132 PolarHBondContact O-N 2.84Å; I130-N133 WeakPolarHBondContact O-CB 3.04Å; I130-N133 PolarHBondContact O-N 3.27Å; I130-I279 HydrophobicContact CD1-CD1 3.73Å
131A87.3Confident82.6Confident0 Ų054.5 Ų54.50%029%0.286CS..G310 helixtrans-60.3-31.9-174.100000112.5L93 V94 N133 E134 Y168 V172L93-A131 WeakPolarHBondContact O-CB 3.31Å; L93-A131 PolarHBondContact O-N 3.12Å; V94-A131 HydrophobicContact CG2-CB 4.49Å; A131-N133 PolarHBondContact O-N 3.07Å; A131-E134 WeakPolarHBondContact O-CB 3.32Å; A131-E134 PolarHBondContact O-N 2.98Å; A131-E134 VanDerWaalsContact O-N 3.15Å; A131-Y168 HydrophobicContact CB-CD1 4.48Å; A131-V172 HydrophobicContact CB-CG2 4.1Å
132S80Confident80.7Confident26 Ų2651.9 Ų51.918%0.18227%0.267CS..G310 helixtrans-67.3-17.9177.4530000114.2I130 E134 I135I130-S132 VanDerWaalsContact CG2-OG 3.24Å; I130-S132 WeakPolarHBondContact CG2-OG 3.4Å; I130-S132 PolarHBondContact O-N 2.84Å; S132-E134 PolarHBondContact O-N 2.92Å; S132-I135 WeakPolarHBondContact O-CB 3.32Å; S132-I135 PolarHBondContact O-N 3.08Å
133N80.8Confident78.6Confident118 Ų11855 Ų5563%0.63129%0.291SS*.G310 helixtrans-71.1-15.9175.3-67.2-0.2000112.1I130 A131 I135I130-N133 WeakPolarHBondContact O-CB 3.04Å; I130-N133 PolarHBondContact O-N 3.27Å; A131-N133 PolarHBondContact O-N 3.07Å; N133-I135 VanDerWaalsContact C-N 3.31Å
134E76.4Confident76.4Confident55 Ų5552.8 Ų52.826%0.25728%0.281SS..G310 helixtrans-88.40.8175.1-52.2-58.415400112.7A131 S132 Y171 K174 S175A131-E134 WeakPolarHBondContact O-CB 3.32Å; A131-E134 PolarHBondContact O-N 2.98Å; A131-E134 VanDerWaalsContact O-N 3.15Å; S132-E134 PolarHBondContact O-N 2.92Å; E134-Y171 HydrophobicContact CB-CD1 3.78Å; E134-Y171 HydrophobicContact CB-CG 4.43Å; E134-Y171 WeakPolarHBondContact O-CD1 3.45Å; E134-Y171 WeakPolarHBondContact O-CE1 3.29Å; E134-K174 HydrophobicContact CB-CD 4.25Å; E134-K174 HydrophobicContact CG-CD 4.4Å; E134-K174 HydrophobicContact CG-CG 4.33Å; E134-K174 WeakPolarHBondContact OE2-CD 3.43Å; E134-K174 WeakPolarHBondContact OE2-CE 3.48Å; E134-K174 IonicContact OE2-NZ 3.39Å; E134-S175 WeakPolarHBondContact CG-OG 3.48Å; E134-S175 PolarHBondContact OE1-OG 3.18Å
135I74.1Confident74.4Confident16 Ų1655.7 Ų55.78%0.08230%0.301CS..  trans-93.4113.7-179.4-58-177.2000109.1S132 N133 R137 D140 I141 Y168 Y171S132-I135 WeakPolarHBondContact O-CB 3.32Å; S132-I135 PolarHBondContact O-N 3.08Å; N133-I135 VanDerWaalsContact C-N 3.31Å; I135-R137 VanDerWaalsContact C-N 3.27Å; I135-R137 VanDerWaalsContact CG2-O 3.24Å; I135-R137 WeakPolarHBondContact CG2-O 3.39Å; I135-R137 PolarHBondContact O-N 2.76Å; I135-D140 HydrophobicContact CG2-CB 3.78Å; I135-I141 HydrophobicContact CB-CG1 4.24Å; I135-I141 HydrophobicContact CD1-CG1 4.05Å; I135-I141 HydrophobicContact CG2-CG1 4.03Å; I135-Y168 HydrophobicContact CD1-CD1 4.23Å; I135-Y168 HydrophobicContact CD1-CE1 3.61Å; I135-Y171 HydrophobicContact CB-CE1 4.36Å; I135-Y171 HydrophobicContact CD1-CD2 4.04Å; I135-Y171 HydrophobicContact CD1-CE2 3.95Å; I135-Y171 HydrophobicContact CD1-CG 4.46Å; I135-Y171 HydrophobicContact CG1-CD1 3.8Å; I135-Y171 HydrophobicContact CG1-CD2 3.91Å; I135-Y171 HydrophobicContact CG1-CE1 3.67Å; I135-Y171 HydrophobicContact CG1-CE2 3.8Å; I135-Y171 HydrophobicContact CG1-CG 3.92Å
136D68.3Low73Confident163 Ų16356.9 Ų56.987%0.87231%0.305SS*.SBendtrans-66-27.5-178.7-67.9-35.7000113.6
137R65Low71.4Confident152 Ų15257.1 Ų57.157%0.57431%0.306SS*.  trans-119.4116.3-173.1-69.5-175-174.8-1692.1111.7I135 E139 D140I135-R137 VanDerWaalsContact C-N 3.27Å; I135-R137 VanDerWaalsContact CG2-O 3.24Å; I135-R137 WeakPolarHBondContact CG2-O 3.39Å; I135-R137 PolarHBondContact O-N 2.76Å; R137-E139 HydrophobicContact CB-CG 4.22Å; R137-E139 PolarHBondContact O-N 3.31Å; R137-E139 VanDerWaalsContact O-N 3.14Å; R137-D140 HydrophobicContact CB-CB 4.39Å; R137-D140 WeakPolarHBondContact CB-OD2 3.39Å; R137-D140 WeakPolarHBondContact O-CB 3.39Å; R137-D140 PolarHBondContact O-N 2.92Å
138P60.3Low70Confident97 Ų9763.4 Ų63.463%0.6333%0.329SS*.G310 helixtrans-56.5-31.1180-25.433.8000114.1D140 I141P138-D140 VanDerWaalsContact C-N 3.25Å; P138-D140 PolarHBondContact O-N 2.91Å; P138-I141 VanDerWaalsContact O-CB 3.25Å; P138-I141 WeakPolarHBondContact O-CB 3.47Å; P138-I141 PolarHBondContact O-N 3.15Å; P138-I141 VanDerWaalsContact O-N 3.08Å
139E59.7Low68.4Low134 Ų13463.9 Ų63.963%0.62633%0.328SS*.G310 helixtrans-66.6-23.3175.860.3-90.5-155.700114.1R137 I141R137-E139 HydrophobicContact CB-CG 4.22Å; R137-E139 PolarHBondContact O-N 3.31Å; R137-E139 VanDerWaalsContact O-N 3.14Å; E139-I141 VanDerWaalsContact C-N 3.26Å
140D57.7Low66.7Low32 Ų3265.7 Ų65.717%0.17134%0.343CS..G310 helixtrans-80-12.7173.5-68.8-36000111.5I135 R137 P138 S142 N165I135-D140 HydrophobicContact CG2-CB 3.78Å; R137-D140 HydrophobicContact CB-CB 4.39Å; R137-D140 WeakPolarHBondContact CB-OD2 3.39Å; R137-D140 WeakPolarHBondContact O-CB 3.39Å; R137-D140 PolarHBondContact O-N 2.92Å; P138-D140 VanDerWaalsContact C-N 3.25Å; P138-D140 PolarHBondContact O-N 2.91Å; D140-S142 PolarHBondContact O-N 3.5Å; D140-N165 PolarHBondContact OD1-ND2 2.95Å
141I56.2Low65.1Low61 Ų6164.5 Ų64.531%0.31334%0.337SS..  trans-73.169.5164.7-47.6176.7000107.7I135 P138 E139I135-I141 HydrophobicContact CB-CG1 4.24Å; I135-I141 HydrophobicContact CD1-CG1 4.05Å; I135-I141 HydrophobicContact CG2-CG1 4.03Å; P138-I141 VanDerWaalsContact O-CB 3.25Å; P138-I141 WeakPolarHBondContact O-CB 3.47Å; P138-I141 PolarHBondContact O-N 3.15Å; P138-I141 VanDerWaalsContact O-N 3.08Å; E139-I141 VanDerWaalsContact C-N 3.26Å
142S56.2Low63.7Low23 Ų2366.9 Ų66.916%0.16135%0.349CS..  trans-63166164.5770000109.3D140 G144 F166 Y168D140-S142 PolarHBondContact O-N 3.5Å; S142-G144 PolarHBondContact O-N 3.41Å; S142-G144 PolarHBondContact OG-N 3.12Å; S142-F166 VanDerWaalsContact CB-CD1 3.46Å; S142-F166 VanDerWaalsContact OG-CD1 3.25Å; S142-F166 WeakPolarHBondContact OG-CD1 3.44Å; S142-Y168 PolarHBondContact O-OH 2.88Å
143S53.7Low62.4Low89 Ų8968.3 Ų68.362%0.62235%0.354SS*.SBendtrans-66.229.6172.368.50000113.4A96A96-S143 VanDerWaalsContact CB-C 3.42Å; A96-S143 WeakPolarHBondContact CB-O 3.37Å
144G51.6Low60.8Low6 Ų663.5 Ų63.56%0.06233%0.331CS..  trans49.7104-178.700000114.1S142 K146S142-G144 PolarHBondContact O-N 3.41Å; S142-G144 PolarHBondContact OG-N 3.12Å; G144-K146 PolarHBondContact O-N 3.47Å
145C55.5Low59.4Low64 Ų6465.9 Ų65.943%0.43234%0.344SS..  trans-77.4123.8169.6-72.70000109.7H147 F166C145-H147 PolarHBondContact O-N 3.07Å; C145-F166 HydrophobicContact CB-CB 4.44Å
146K69.7Low58Low37 Ų3773.2 Ų73.216%0.16138%0.376CS..  trans-56.3128.5165.8-70.7174.5177.31740109.5Y97 G144 R148 D471 T478Y97-K146 HydrophobicContact CD2-CG 4.33Å; Y97-K146 WeakPolarHBondContact O-CE 3.34Å; G144-K146 PolarHBondContact O-N 3.47Å; K146-R148 WeakPolarHBondContact O-CG 3.27Å; K146-R148 PolarHBondContact O-N 2.93Å; K146-R148 VanDerWaalsContact O-N 3.07Å; K146-D471 IonicContact NZ-OD2 3.81Å; K146-D471 PolarHBondContact NZ-OD2 3.28Å; K146-T478 HydrophobicContact CD-CG2 4.06Å; K146-T478 WeakPolarHBondContact CE-OG1 3.4Å; K146-T478 PolarHBondContact NZ-OG1 2.78Å
147H64Low56.5Low9 Ų970.4 Ų70.44%0.04236%0.361CS..  trans-54.2114.9-179-160.1-37.9000110.9C145 E152 L167 E169 R196 A197C145-H147 PolarHBondContact O-N 3.07Å; H147-E152 WeakPolarHBondContact CE1-CG 3.37Å; H147-L167 HydrophobicContact CB-CD2 3.8Å; H147-L167 WeakPolarHBondContact NE2-CD1 3.32Å; H147-E169 IonicContact CD2-OE2 3.67Å; H147-R196 HydrophobicContact CB-CB 4.41Å; H147-R196 HydrophobicContact CB-CG 4.21Å; H147-R196 VanDerWaalsContact ND1-CD 3.33Å; H147-R196 WeakPolarHBondContact ND1-CD 3.42Å; H147-R196 PolarHBondContact O-NH1 3.13Å; H147-A197 HydrophobicContact CB-CB 3.83Å
148R68Low55.1Low145 Ų14572.2 Ų72.255%0.54738%0.376SS..  trans-95157.2175.8-56.8-174.4-177.4175.82.9109.8K146 S150 D151 R196K146-R148 WeakPolarHBondContact O-CG 3.27Å; K146-R148 PolarHBondContact O-N 2.93Å; K146-R148 VanDerWaalsContact O-N 3.07Å; R148-S150 WeakPolarHBondContact CB-OG 3.45Å; R148-S150 PolarHBondContact O-N 3.44Å; R148-D151 WeakPolarHBondContact CB-OD2 3.28Å; R148-D151 PolarHBondContact N-OD2 3.39Å; R148-D151 VanDerWaalsContact O-CB 3.27Å; R148-D151 WeakPolarHBondContact O-CB 3.27Å; R148-D151 PolarHBondContact O-N 2.93Å; R148-D151 VanDerWaalsContact O-N 3.07Å; R148-R196 VanDerWaalsContact C-NH1 3.32Å; R148-R196 VanDerWaalsContact CA-NH1 3.34Å
149W63.8Low54.1Low45 Ų4572 Ų7217%0.1737%0.373CS..Hα-helixtrans-63.8-35176.4-178.6-84.7000111.7D151 E152 N153 P383 F384W149-D151 PolarHBondContact O-N 2.89Å; W149-E152 WeakPolarHBondContact CZ3-OE2 3.4Å; W149-E152 PolarHBondContact O-N 2.85Å; W149-N153 VanDerWaalsContact NE1-CG 3.28Å; W149-N153 PolarHBondContact NE1-ND2 2.73Å; W149-N153 PolarHBondContact NE1-OD1 2.89Å; W149-N153 PolarHBondContact O-N 3.45Å; W149-N153 VanDerWaalsContact O-N 3.09Å; W149-P383 HydrophobicContact CE3-CB 3.63Å; W149-P383 HydrophobicContact CH2-CB 3.5Å; W149-P383 VanDerWaalsContact CH2-CB 3.5Å; W149-P383 HydrophobicContact CH2-CG 4.34Å; W149-P383 HydrophobicContact CZ2-CB 4.39Å; W149-P383 HydrophobicContact CZ3-CB 3.07Å; W149-P383 HydrophobicContact CZ3-CG 4.27Å; W149-F384 HydrophobicContact CB-CD1 4.28Å; W149-F384 AromaticContact CD1-CD1 3.43Å; W149-F384 VanDerWaalsContact CD1-CD1 3.43Å; W149-F384 AromaticContact CD1-CE1 2.98Å; W149-F384 AromaticContact CD1-CZ 3.72Å; W149-F384 AromaticContact CD2-CD1 3.9Å; W149-F384 HydrophobicContact CD2-CD1 3.9Å; W149-F384 AromaticContact CD2-CE1 3.81Å; W149-F384 HydrophobicContact CD2-CE1 3.81Å; W149-F384 HydrophobicContact CD2-CE2 4.39Å; W149-F384 HydrophobicContact CD2-CG 4.3Å; W149-F384 HydrophobicContact CD2-CZ 4.04Å; W149-F384 AromaticContact CE2-CD1 3.94Å; W149-F384 AromaticContact CE2-CE1 3.37Å; W149-F384 AromaticContact CE2-CE2 3.75Å; W149-F384 AromaticContact CE2-CZ 3.23Å; W149-F384 AromaticContact CG-CD1 3.53Å; W149-F384 HydrophobicContact CG-CD1 3.53Å; W149-F384 AromaticContact CG-CE1 3.56Å; W149-F384 HydrophobicContact CG-CE1 3.56Å; W149-F384 HydrophobicContact CG-CG 4.31Å; W149-F384 HydrophobicContact CG-CZ 4.26Å; W149-F384 HydrophobicContact CZ2-CE1 4.19Å; W149-F384 AromaticContact CZ2-CE2 3.77Å; W149-F384 HydrophobicContact CZ2-CE2 3.77Å; W149-F384 AromaticContact CZ2-CZ 3.57Å; W149-F384 HydrophobicContact CZ2-CZ 3.57Å; W149-F384 AromaticContact NE1-CD1 3.71Å; W149-F384 AromaticContact NE1-CE1 2.88Å; W149-F384 AromaticContact NE1-CZ 3.08Å
150S60.5Low53.1Low65 Ų6573.1 Ų73.146%0.45538%0.383SS..Hα-helixtrans-50.2-32.7173.446.40000112.1R148 N153 A154R148-S150 WeakPolarHBondContact CB-OG 3.45Å; R148-S150 PolarHBondContact O-N 3.44Å; S150-N153 PolarHBondContact O-N 3.22Å; S150-A154 WeakPolarHBondContact O-CB 3Å; S150-A154 PolarHBondContact O-N 3.46Å
151D59.2Low52.3Low18 Ų1882.5 Ų82.510%0.09642%0.416CS..Hα-helixtrans-77-42.3-174.3-46.4-13.1000110.8R148 W149 N153 A154 L155 I162R148-D151 WeakPolarHBondContact CB-OD2 3.28Å; R148-D151 PolarHBondContact N-OD2 3.39Å; R148-D151 VanDerWaalsContact O-CB 3.27Å; R148-D151 WeakPolarHBondContact O-CB 3.27Å; R148-D151 PolarHBondContact O-N 2.93Å; R148-D151 VanDerWaalsContact O-N 3.07Å; W149-D151 PolarHBondContact O-N 2.89Å; D151-N153 VanDerWaalsContact C-N 3.33Å; D151-N153 PolarHBondContact O-N 3.29Å; D151-A154 PolarHBondContact O-N 3.33Å; D151-L155 PolarHBondContact O-N 3.31Å; D151-I162 HydrophobicContact CB-CD1 4.34Å; D151-I162 HydrophobicContact CB-CG2 3.87Å; D151-I162 WeakPolarHBondContact OD1-CD1 3.47Å
152E57.3Low51.7Low50 Ų5082.9 Ų82.923%0.23442%0.418CS..Hα-helixtrans-61-43.8170.6-70.2-170.2-177.400111H147 W149 A154 L155 F156 R196H147-E152 WeakPolarHBondContact CE1-CG 3.37Å; W149-E152 WeakPolarHBondContact CZ3-OE2 3.4Å; W149-E152 PolarHBondContact O-N 2.85Å; E152-A154 VanDerWaalsContact C-N 3.28Å; E152-A154 PolarHBondContact O-N 3Å; E152-L155 WeakPolarHBondContact O-CB 3.12Å; E152-L155 PolarHBondContact O-N 3.29Å; E152-L155 VanDerWaalsContact O-N 3.12Å; E152-F156 VanDerWaalsContact O-CD2 3.3Å; E152-F156 WeakPolarHBondContact O-CD2 3.41Å; E152-F156 PolarHBondContact O-N 2.87Å; E152-R196 WeakPolarHBondContact OE1-CD 3.21Å; E152-R196 WeakPolarHBondContact OE1-CG 3.37Å
153N52.3Low51.3Low56 Ų5687.1 Ų87.130%0.29944%0.436SS..Hα-helixtrans-66.8-28.1178.1-95.1-3.1000113.1W149 S150 D151 F156 N157W149-N153 VanDerWaalsContact NE1-CG 3.28Å; W149-N153 PolarHBondContact NE1-ND2 2.73Å; W149-N153 PolarHBondContact NE1-OD1 2.89Å; W149-N153 PolarHBondContact O-N 3.45Å; W149-N153 VanDerWaalsContact O-N 3.09Å; S150-N153 PolarHBondContact O-N 3.22Å; D151-N153 VanDerWaalsContact C-N 3.33Å; D151-N153 PolarHBondContact O-N 3.29Å; N153-F156 PolarHBondContact O-N 2.95Å; N153-N157 VanDerWaalsContact O-CB 3.27Å; N153-N157 WeakPolarHBondContact O-CB 3.26Å; N153-N157 PolarHBondContact O-N 3.12Å; N153-N157 PolarHBondContact O-ND2 2.97Å
154A47.5Very low51Low17 Ų1791.3 Ų91.314%0.1444%0.443CS..Hα-helixtrans-78.1-22.6173.100000112.9S150 D151 E152 F156 N157 I162S150-A154 WeakPolarHBondContact O-CB 3Å; S150-A154 PolarHBondContact O-N 3.46Å; D151-A154 PolarHBondContact O-N 3.33Å; E152-A154 VanDerWaalsContact C-N 3.28Å; E152-A154 PolarHBondContact O-N 3Å; A154-F156 VanDerWaalsContact C-N 3.3Å; A154-N157 CarbonylContact C-O 3.57Å; A154-N157 CarbonylContact O-C 3.59Å; A154-I162 HydrophobicContact CB-CB 3.86Å; A154-I162 HydrophobicContact CB-CD1 3.35Å; A154-I162 HydrophobicContact CB-CG1 3.47Å; A154-I162 VanDerWaalsContact CB-CG1 3.47Å
155L47.5Very low50.9Low104 Ų10494.2 Ų94.255%0.54546%0.457SS..Hα-helixtrans-68.7-31.6166.7-78.1154.1000111.5D151 E152D151-L155 PolarHBondContact O-N 3.31Å; E152-L155 WeakPolarHBondContact O-CB 3.12Å; E152-L155 PolarHBondContact O-N 3.29Å; E152-L155 VanDerWaalsContact O-N 3.12Å
156F44.7Very low50.9Low171 Ų17194.2 Ų94.275%0.7545%0.449SS*.Hα-helixtrans-88.1-32.9176.6-78.6-75.5000114.5E152 N153 A154E152-F156 VanDerWaalsContact O-CD2 3.3Å; E152-F156 WeakPolarHBondContact O-CD2 3.41Å; E152-F156 PolarHBondContact O-N 2.87Å; N153-F156 PolarHBondContact O-N 2.95Å; A154-F156 VanDerWaalsContact C-N 3.3Å
157N35.3Very low50.9Low103 Ų10393.4 Ų93.455%0.55145%0.447SS*.THydrogen-bonded Turntrans-98.1111.3173.8-67.3-39.4000108N153 A154 T159N153-N157 VanDerWaalsContact O-CB 3.27Å; N153-N157 WeakPolarHBondContact O-CB 3.26Å; N153-N157 PolarHBondContact O-N 3.12Å; N153-N157 PolarHBondContact O-ND2 2.97Å; A154-N157 CarbonylContact C-O 3.57Å; A154-N157 CarbonylContact O-C 3.59Å; N157-T159 PolarHBondContact O-N 3.42Å; N157-T159 PolarHBondContact O-OG1 2.92Å
158Q37.2Very low51.8Low191 Ų19193.6 Ų93.689%0.89345%0.447SS*.THydrogen-bonded Turntrans-52.154.3-178-66.3176.8-14.600116.3
159T38.4Very low52.8Low93 Ų9388 Ų8857%0.57143%0.428SS*.  trans-111.698.2167.254.20000106.7N157 R161N157-T159 PolarHBondContact O-N 3.42Å; N157-T159 PolarHBondContact O-OG1 2.92Å; T159-R161 PolarHBondContact O-N 3.3Å
160D39.1Very low54Low156 Ų15689.1 Ų89.183%0.83444%0.439SS*.THydrogen-bonded Turntrans-5517.8-179.1-68.4-48.2000116.1
161R39.9Very low55.4Low229 Ų22988.1 Ų88.186%0.86443%0.426SS*.THydrogen-bonded Turntrans-107.9-8.5-170.1-82.7-168178.2-168.70.1116.2T159 E163T159-R161 PolarHBondContact O-N 3.3Å; R161-E163 PolarHBondContact O-N 3.45Å; R161-E163 VanDerWaalsContact O-N 3.08Å
162I44.8Very low57Low70 Ų7087.2 Ų87.236%0.35942%0.421SS..SBendtrans-83.686.1160.5-56-159.9000104.3D151 A154 K164D151-I162 HydrophobicContact CB-CD1 4.34Å; D151-I162 HydrophobicContact CB-CG2 3.87Å; D151-I162 WeakPolarHBondContact OD1-CD1 3.47Å; A154-I162 HydrophobicContact CB-CB 3.86Å; A154-I162 HydrophobicContact CB-CD1 3.35Å; A154-I162 HydrophobicContact CB-CG1 3.47Å; A154-I162 VanDerWaalsContact CB-CG1 3.47Å; I162-K164 PolarHBondContact O-N 3.37Å
163E47Very low58.8Low111 Ų11184.9 Ų84.952%0.51941%0.41SS..  trans-44.4118.8-174.7-72177170.300108.8R161 N165 F166R161-E163 PolarHBondContact O-N 3.45Å; R161-E163 VanDerWaalsContact O-N 3.08Å; E163-N165 PolarHBondContact O-N 3.34Å; E163-F166 HydrophobicContact CB-CD2 3.84Å; E163-F166 HydrophobicContact CB-CE2 3.61Å; E163-F166 HydrophobicContact CB-CZ 4.44Å; E163-F166 HydrophobicContact CG-CE2 4.2Å; E163-F166 PolarHBondContact O-N 3.47Å; E163-F166 WeakPolarHBondContact OE2-CE2 3.45Å; E163-F166 WeakPolarHBondContact OE2-CZ 3.34Å
164K48Very low60.9Low178 Ų17886.2 Ų86.277%0.77441%0.413SS*.G310 helixtrans-50.9-10.1176.7-83.8177.7172.1173.80113.7I162I162-K164 PolarHBondContact O-N 3.37Å
165N49Very low63.2Low66 Ų6685.5 Ų85.535%0.35341%0.407SS..G310 helixtrans-86.1-8.3-172.3-658.9000114.3D140 E163D140-N165 PolarHBondContact OD1-ND2 2.95Å; E163-N165 PolarHBondContact O-N 3.34Å
166F55.4Low65.6Low64 Ų6480.6 Ų80.628%0.28138%0.381SS..G310 helixtrans-100.3-0.4-172.4-61.1-51.2000116.1S142 C145 E163S142-F166 VanDerWaalsContact CB-CD1 3.46Å; S142-F166 VanDerWaalsContact OG-CD1 3.25Å; S142-F166 WeakPolarHBondContact OG-CD1 3.44Å; C145-F166 HydrophobicContact CB-CB 4.44Å; E163-F166 HydrophobicContact CB-CD2 3.84Å; E163-F166 HydrophobicContact CB-CE2 3.61Å; E163-F166 HydrophobicContact CB-CZ 4.44Å; E163-F166 HydrophobicContact CG-CE2 4.2Å; E163-F166 PolarHBondContact O-N 3.47Å; E163-F166 WeakPolarHBondContact OE2-CE2 3.45Å; E163-F166 WeakPolarHBondContact OE2-CZ 3.34Å
167L69.6Low68.1Low20 Ų2072.5 Ų72.511%0.10535%0.346CS..  trans-111.2129.6-179.6-63.7174.7000110.5H147 E169H147-L167 HydrophobicContact CB-CD2 3.8Å; H147-L167 WeakPolarHBondContact NE2-CD1 3.32Å; L167-E169 VanDerWaalsContact C-N 3.31Å; L167-E169 WeakPolarHBondContact CB-OE1 3.36Å; L167-E169 WeakPolarHBondContact CB-OE2 3.39Å; L167-E169 WeakPolarHBondContact CD1-OE1 3.15Å; L167-E169 PolarHBondContact O-N 2.81Å
168Y84.1Confident71Confident13 Ų1370.6 Ų70.65%0.05134%0.336CS..THydrogen-bonded Turntrans-82.60.8-174.2-69.3-79.7000114.6V94 P95 A131 I135 S142 T170 Y171 V172V94-Y168 VanDerWaalsContact CG1-CB 3.43Å; V94-Y168 HydrophobicContact CG1-CD1 4.26Å; V94-Y168 HydrophobicContact CG1-CD2 3.41Å; V94-Y168 VanDerWaalsContact CG1-CD2 3.41Å; V94-Y168 HydrophobicContact CG1-CE2 4.23Å; V94-Y168 HydrophobicContact CG1-CG 3.44Å; V94-Y168 VanDerWaalsContact CG1-CG 3.44Å; P95-Y168 HydrophobicContact CB-CE1 4.19Å; P95-Y168 HydrophobicContact CB-CE2 4.07Å; P95-Y168 WeakPolarHBondContact CB-OH 3.4Å; P95-Y168 HydrophobicContact CG-CD1 4.42Å; P95-Y168 HydrophobicContact CG-CE1 3.62Å; P95-Y168 HydrophobicContact CG-CE2 4.33Å; P95-Y168 VanDerWaalsContact O-CE2 3.22Å; P95-Y168 WeakPolarHBondContact O-CE2 3.46Å; A131-Y168 HydrophobicContact CB-CD1 4.48Å; I135-Y168 HydrophobicContact CD1-CD1 4.23Å; I135-Y168 HydrophobicContact CD1-CE1 3.61Å; S142-Y168 PolarHBondContact O-OH 2.88Å; Y168-T170 VanDerWaalsContact C-N 3.29Å; Y168-T170 PolarHBondContact O-N 3.13Å; Y168-Y171 AromaticContact CD1-CD2 3.98Å; Y168-Y171 HydrophobicContact CD1-CD2 3.98Å; Y168-Y171 PolarHBondContact O-N 2.66Å; Y168-Y171 VanDerWaalsContact O-N 3.13Å; Y168-V172 WeakPolarHBondContact O-CB 3.37Å; Y168-V172 VanDerWaalsContact O-CG2 3.26Å; Y168-V172 WeakPolarHBondContact O-CG2 3.35Å; Y168-V172 PolarHBondContact O-N 2.96Å
169E88Confident73.9Confident29 Ų2962 Ų6214%0.13630%0.296CS..Hα-helixtrans-54.9-41.8-176.651.7-105.1-168.200113.9H147 L167 A173 S200 W201 K204H147-E169 IonicContact CD2-OE2 3.67Å; L167-E169 VanDerWaalsContact C-N 3.31Å; L167-E169 WeakPolarHBondContact CB-OE1 3.36Å; L167-E169 WeakPolarHBondContact CB-OE2 3.39Å; L167-E169 WeakPolarHBondContact CD1-OE1 3.15Å; L167-E169 PolarHBondContact O-N 2.81Å; E169-A173 WeakPolarHBondContact O-CB 3.35Å; E169-A173 PolarHBondContact O-N 3.35Å; E169-S200 PolarHBondContact OE2-OG 3.11Å; E169-W201 VanDerWaalsContact CA-CD1 3.49Å; E169-K204 HydrophobicContact CB-CB 3.8Å; E169-K204 HydrophobicContact CB-CG 4.04Å; E169-K204 HydrophobicContact CG-CB 4.42Å; E169-K204 HydrophobicContact CG-CG 4.33Å; E169-K204 WeakPolarHBondContact O-CG 3.37Å
170T88.8Confident76.7Confident67 Ų6757.6 Ų57.641%0.41127%0.269SS..Hα-helixtrans-66.3-42.5-179.6-570000110.9Y168 A173 K174 K204Y168-T170 VanDerWaalsContact C-N 3.29Å; Y168-T170 PolarHBondContact O-N 3.13Å; T170-A173 PolarHBondContact O-N 3.26Å; T170-K174 VanDerWaalsContact O-CB 3.32Å; T170-K174 WeakPolarHBondContact O-CB 3.47Å; T170-K174 PolarHBondContact O-N 3.48Å; T170-K204 WeakPolarHBondContact OG1-CE 3.38Å
171Y90.3Very high79.4Confident44 Ų4455.4 Ų55.417%0.17325%0.252CS..Hα-helixtrans-71.5-40.2179.8-56.1-63.9000112E134 I135 Y168 K174 S175E134-Y171 HydrophobicContact CB-CD1 3.78Å; E134-Y171 HydrophobicContact CB-CG 4.43Å; E134-Y171 WeakPolarHBondContact O-CD1 3.45Å; E134-Y171 WeakPolarHBondContact O-CE1 3.29Å; I135-Y171 HydrophobicContact CB-CE1 4.36Å; I135-Y171 HydrophobicContact CD1-CD2 4.04Å; I135-Y171 HydrophobicContact CD1-CE2 3.95Å; I135-Y171 HydrophobicContact CD1-CG 4.46Å; I135-Y171 HydrophobicContact CG1-CD1 3.8Å; I135-Y171 HydrophobicContact CG1-CD2 3.91Å; I135-Y171 HydrophobicContact CG1-CE1 3.67Å; I135-Y171 HydrophobicContact CG1-CE2 3.8Å; I135-Y171 HydrophobicContact CG1-CG 3.92Å; Y168-Y171 AromaticContact CD1-CD2 3.98Å; Y168-Y171 HydrophobicContact CD1-CD2 3.98Å; Y168-Y171 PolarHBondContact O-N 2.66Å; Y168-Y171 VanDerWaalsContact O-N 3.13Å; Y171-K174 PolarHBondContact O-N 2.76Å; Y171-S175 PolarHBondContact O-N 3Å; Y171-S175 PolarHBondContact O-OG 2.71Å
172V93.3Very high82Confident0 Ų050 Ų500%024%0.239CC..Hα-helixtrans-61.3-46.4172.8173.70000110.3W60 V94 A131 Y168 S175 V176 W201W60-V172 HydrophobicContact CH2-CG1 3.91Å; W60-V172 HydrophobicContact CZ2-CG1 3.52Å; V94-V172 HydrophobicContact CG2-CG2 3.4Å; V94-V172 VanDerWaalsContact CG2-CG2 3.4Å; A131-V172 HydrophobicContact CB-CG2 4.1Å; Y168-V172 WeakPolarHBondContact O-CB 3.37Å; Y168-V172 VanDerWaalsContact O-CG2 3.26Å; Y168-V172 WeakPolarHBondContact O-CG2 3.35Å; Y168-V172 PolarHBondContact O-N 2.96Å; V172-S175 PolarHBondContact O-N 3.01Å; V172-V176 HydrophobicContact CG1-CG2 4.34Å; V172-V176 WeakPolarHBondContact O-CB 3.44Å; V172-V176 VanDerWaalsContact O-CG2 3.31Å; V172-V176 WeakPolarHBondContact O-CG2 3.38Å; V172-V176 PolarHBondContact O-N 3.32Å; V172-W201 HydrophobicContact CB-CB 4.39Å; V172-W201 HydrophobicContact CB-CG 4.29Å; V172-W201 HydrophobicContact CG1-CB 3.91Å; V172-W201 HydrophobicContact CG1-CD2 4.47Å; V172-W201 HydrophobicContact CG1-CG 4.16Å; V172-W201 HydrophobicContact CG2-CD2 4.23Å; V172-W201 HydrophobicContact CG2-CG 4.25Å
173A95.3Very high84.5Confident0 Ų046.8 Ų46.80%022%0.223CC..Hα-helixtrans-61.5-46.917800000111.7E169 T170 S175 V176 V177 K204 V205E169-A173 WeakPolarHBondContact O-CB 3.35Å; E169-A173 PolarHBondContact O-N 3.35Å; T170-A173 PolarHBondContact O-N 3.26Å; A173-S175 PolarHBondContact O-N 3.42Å; A173-V176 PolarHBondContact O-N 2.95Å; A173-V177 WeakPolarHBondContact O-CB 3.35Å; A173-V177 WeakPolarHBondContact O-CG2 3.47Å; A173-V177 PolarHBondContact O-N 3.08Å; A173-K204 HydrophobicContact CB-CB 4.03Å; A173-K204 HydrophobicContact CB-CG 3.54Å; A173-V205 HydrophobicContact CB-CG2 3.93Å
174K94.9Very high86.7Confident84 Ų8444.3 Ų44.337%0.36521%0.214SC..Hα-helixtrans-54-55.2174.6-177.4166.2173.443.10111.7E134 T170 Y171 V176 V177 D178E134-K174 HydrophobicContact CB-CD 4.25Å; E134-K174 HydrophobicContact CG-CD 4.4Å; E134-K174 HydrophobicContact CG-CG 4.33Å; E134-K174 WeakPolarHBondContact OE2-CD 3.43Å; E134-K174 WeakPolarHBondContact OE2-CE 3.48Å; E134-K174 IonicContact OE2-NZ 3.39Å; T170-K174 VanDerWaalsContact O-CB 3.32Å; T170-K174 WeakPolarHBondContact O-CB 3.47Å; T170-K174 PolarHBondContact O-N 3.48Å; Y171-K174 PolarHBondContact O-N 2.76Å; K174-V176 PolarHBondContact O-N 3.23Å; K174-V177 PolarHBondContact O-N 3.08Å; K174-D178 WeakPolarHBondContact CG-OD2 3.33Å; K174-D178 IonicContact NZ-OD2 3.56Å; K174-D178 PolarHBondContact NZ-OD2 2.8Å; K174-D178 WeakPolarHBondContact O-CB 3.39Å; K174-D178 PolarHBondContact O-N 2.8Å
175S95.8Very high88.9Confident3 Ų335.9 Ų35.92%0.02118%0.177CC..Hα-helixtrans-59.8-43.8-179.2-61.10000113.1E134 Y171 V172 A173 L179E134-S175 WeakPolarHBondContact CG-OG 3.48Å; E134-S175 PolarHBondContact OE1-OG 3.18Å; Y171-S175 PolarHBondContact O-N 3Å; Y171-S175 PolarHBondContact O-OG 2.71Å; V172-S175 PolarHBondContact O-N 3.01Å; A173-S175 PolarHBondContact O-N 3.42Å; S175-L179 WeakPolarHBondContact O-CB 3.16Å; S175-L179 PolarHBondContact O-N 2.84Å; S175-L179 VanDerWaalsContact O-N 3.15Å
176V97.8Very high91.1Very high0 Ų032.7 Ų32.70%016%0.16CC..Hα-helixtrans-72.6-43.6-177.3174.70000111.4W60 C92 L129 V172 A173 K174 L179 A180 L188 V205W60-V176 HydrophobicContact CD2-CG1 4.15Å; W60-V176 HydrophobicContact CD2-CG2 3.98Å; W60-V176 HydrophobicContact CE3-CG1 4.08Å; W60-V176 HydrophobicContact CE3-CG2 4.46Å; W60-V176 HydrophobicContact CG-CG1 4.36Å; W60-V176 HydrophobicContact CG-CG2 4.25Å; W60-V176 HydrophobicContact CZ2-CG2 4.29Å; C92-V176 HydrophobicContact CB-CG2 4.43Å; L129-V176 HydrophobicContact CD1-CG2 4.13Å; V172-V176 HydrophobicContact CG1-CG2 4.34Å; V172-V176 WeakPolarHBondContact O-CB 3.44Å; V172-V176 VanDerWaalsContact O-CG2 3.31Å; V172-V176 WeakPolarHBondContact O-CG2 3.38Å; V172-V176 PolarHBondContact O-N 3.32Å; A173-V176 PolarHBondContact O-N 2.95Å; K174-V176 PolarHBondContact O-N 3.23Å; V176-L179 PolarHBondContact O-N 2.86Å; V176-A180 WeakPolarHBondContact O-CB 3.28Å; V176-A180 PolarHBondContact O-N 2.93Å; V176-L188 HydrophobicContact CG1-CD1 4.39Å; V176-L188 HydrophobicContact CG1-CD2 4.13Å; V176-V205 HydrophobicContact CB-CG2 4.18Å; V176-V205 HydrophobicContact CG1-CG1 4.28Å; V176-V205 HydrophobicContact CG1-CG2 4.31Å
177V97.8Very high93Very high2 Ų229.9 Ų29.91%0.01215%0.148CC..Hα-helixtrans-69.7-40.5-179.91730000111A173 K174 L179 A180 K181 V205 E208 L209A173-V177 WeakPolarHBondContact O-CB 3.35Å; A173-V177 WeakPolarHBondContact O-CG2 3.47Å; A173-V177 PolarHBondContact O-N 3.08Å; K174-V177 PolarHBondContact O-N 3.08Å; V177-L179 VanDerWaalsContact C-N 3.34Å; V177-A180 PolarHBondContact O-N 3.34Å; V177-K181 HydrophobicContact CG1-CD 4.13Å; V177-K181 VanDerWaalsContact CG1-CE 3.5Å; V177-K181 WeakPolarHBondContact O-CG 3.07Å; V177-K181 PolarHBondContact O-N 3.38Å; V177-V205 HydrophobicContact CG2-CG1 4.31Å; V177-E208 HydrophobicContact CG2-CB 4.19Å; V177-L209 HydrophobicContact CG2-CD1 4.25Å
178D97.1Very high94.4Very high62 Ų6229 Ų2933%0.33214%0.143SC..Hα-helixtrans-64.5-40.1176.4-72.3-13.8000110.6K174 K181 L182K174-D178 WeakPolarHBondContact CG-OD2 3.33Å; K174-D178 IonicContact NZ-OD2 3.56Å; K174-D178 PolarHBondContact NZ-OD2 2.8Å; K174-D178 WeakPolarHBondContact O-CB 3.39Å; K174-D178 PolarHBondContact O-N 2.8Å; D178-K181 PolarHBondContact O-N 2.95Å; D178-L182 VanDerWaalsContact O-CB 3.3Å; D178-L182 WeakPolarHBondContact O-CB 3.35Å; D178-L182 PolarHBondContact O-N 2.76Å
179L97.2Very high95.1Very high11 Ų1128.3 Ų28.36%0.05814%0.141CC..Hα-helixtrans-63.3-45.3171.8-178.565.3000111.9L58 C90 H127 L129 S175 V176 V177 K181 L182 L183L58-L179 HydrophobicContact CD1-CD2 4.22Å; L58-L179 HydrophobicContact CD2-CD2 4.03Å; L58-L179 HydrophobicContact CD2-CG 4.23Å; C90-L179 HydrophobicContact CB-CD2 3.51Å; H127-L179 HydrophobicContact CB-CD2 3.76Å; L129-L179 HydrophobicContact CD1-CB 4.34Å; L129-L179 HydrophobicContact CD1-CD2 3.96Å; L129-L179 HydrophobicContact CD2-CB 4.36Å; L129-L179 HydrophobicContact CD2-CD2 4.15Å; L129-L179 HydrophobicContact CG-CD2 4.31Å; S175-L179 WeakPolarHBondContact O-CB 3.16Å; S175-L179 PolarHBondContact O-N 2.84Å; S175-L179 VanDerWaalsContact O-N 3.15Å; V176-L179 PolarHBondContact O-N 2.86Å; V177-L179 VanDerWaalsContact C-N 3.34Å; L179-K181 VanDerWaalsContact C-N 3.28Å; L179-K181 PolarHBondContact O-N 2.91Å; L179-L182 HydrophobicContact CD1-CD2 4.45Å; L179-L182 PolarHBondContact O-N 2.84Å; L179-L183 HydrophobicContact CD1-CD1 3.86Å; L179-L183 HydrophobicContact CD1-CD2 4.33Å; L179-L183 HydrophobicContact CD1-CG 3.85Å; L179-L183 HydrophobicContact CD2-CD1 4.37Å; L179-L183 HydrophobicContact CG-CD1 3.85Å; L179-L183 HydrophobicContact CG-CG 4.19Å; L179-L183 WeakPolarHBondContact O-CB 3.45Å; L179-L183 VanDerWaalsContact O-CG 3.3Å; L179-L183 WeakPolarHBondContact O-CG 3.22Å; L179-L183 PolarHBondContact O-N 3.37Å
180A97.2Very high95.6Very high0 Ų027 Ų270%014%0.135CC..Hα-helixtrans-57.9-42.3178.600000111.7L58 V176 V177 N184 V185 L209L58-A180 HydrophobicContact CD2-CB 4.36Å; V176-A180 WeakPolarHBondContact O-CB 3.28Å; V176-A180 PolarHBondContact O-N 2.93Å; V177-A180 PolarHBondContact O-N 3.34Å; A180-N184 PolarHBondContact O-N 2.91Å; A180-V185 HydrophobicContact CB-CG2 3.69Å; A180-V185 PolarHBondContact O-N 3.49Å; A180-V185 VanDerWaalsContact O-N 3.14Å; A180-L209 HydrophobicContact CB-CD1 4.11Å
181K95.4Very high96.1Very high111 Ų11124 Ų2448%0.48312%0.116SC..Hα-helixtrans-67-47.3175-71.1169.6-177165.70112V177 D178 L179 L183 N184 P210V177-K181 HydrophobicContact CG1-CD 4.13Å; V177-K181 VanDerWaalsContact CG1-CE 3.5Å; V177-K181 WeakPolarHBondContact O-CG 3.07Å; V177-K181 PolarHBondContact O-N 3.38Å; D178-K181 PolarHBondContact O-N 2.95Å; L179-K181 VanDerWaalsContact C-N 3.28Å; L179-K181 PolarHBondContact O-N 2.91Å; K181-L183 VanDerWaalsContact C-N 3.28Å; K181-L183 PolarHBondContact O-N 2.95Å; K181-N184 PolarHBondContact O-N 3.5Å; K181-P210 HydrophobicContact CG-CG 4.47Å
182L95.8Very high96.5Very high114 Ų11421.9 Ų21.960%0.59711%0.108SC*.Hα-helixtrans-56.8-44.1179.3174.865.1000111.6D178 L179 N184 V269D178-L182 VanDerWaalsContact O-CB 3.3Å; D178-L182 WeakPolarHBondContact O-CB 3.35Å; D178-L182 PolarHBondContact O-N 2.76Å; L179-L182 HydrophobicContact CD1-CD2 4.45Å; L179-L182 PolarHBondContact O-N 2.84Å; L182-N184 VanDerWaalsContact C-N 3.27Å; L182-N184 PolarHBondContact O-N 3.2Å; L182-V269 HydrophobicContact CD2-CG1 4.38Å
183L95.9Very high96.7Very high4 Ų422.2 Ų22.22%0.02111%0.11CC..Hα-helixtrans-74.5-16.8178.9-64.3179.8000112.6G55 L58 H88 L179 K181 V185 V269G55-L183 WeakPolarHBondContact CA-O 3.4Å; L58-L183 HydrophobicContact CD1-CD1 4.22Å; L58-L183 HydrophobicContact CD2-CD1 4.5Å; H88-L183 HydrophobicContact CB-CD1 4.03Å; L179-L183 HydrophobicContact CD1-CD1 3.86Å; L179-L183 HydrophobicContact CD1-CD2 4.33Å; L179-L183 HydrophobicContact CD1-CG 3.85Å; L179-L183 HydrophobicContact CD2-CD1 4.37Å; L179-L183 HydrophobicContact CG-CD1 3.85Å; L179-L183 HydrophobicContact CG-CG 4.19Å; L179-L183 WeakPolarHBondContact O-CB 3.45Å; L179-L183 VanDerWaalsContact O-CG 3.3Å; L179-L183 WeakPolarHBondContact O-CG 3.22Å; L179-L183 PolarHBondContact O-N 3.37Å; K181-L183 VanDerWaalsContact C-N 3.28Å; K181-L183 PolarHBondContact O-N 2.95Å; L183-V185 HydrophobicContact CB-CG1 3.56Å; L183-V185 HydrophobicContact CD1-CG1 4.11Å; L183-V185 HydrophobicContact CG-CG1 4.49Å; L183-V269 HydrophobicContact CD2-CB 3.62Å; L183-V269 HydrophobicContact CD2-CG1 3.74Å; L183-V269 HydrophobicContact CD2-CG2 4.31Å
184N94.2Very high96.8Very high59 Ų5922.2 Ų22.232%0.31611%0.11SC..THydrogen-bonded Turntrans55.649.9-168.9-174.430.4000111.8G51 F52 G53 G55 A180 K181 L182G51-N184 PolarHBondContact O-ND2 2.94Å; F52-N184 VanDerWaalsContact CD2-OD1 3.31Å; F52-N184 WeakPolarHBondContact CD2-OD1 3.3Å; G53-N184 CarbonylContact C-O 3.54Å; G53-N184 VanDerWaalsContact CA-O 3.27Å; G53-N184 WeakPolarHBondContact CA-O 3.26Å; G53-N184 PolarHBondContact N-OD1 3.15Å; G55-N184 VanDerWaalsContact CA-O 3.27Å; G55-N184 WeakPolarHBondContact CA-O 3.15Å; G55-N184 PolarHBondContact N-O 2.89Å; A180-N184 PolarHBondContact O-N 2.91Å; K181-N184 PolarHBondContact O-N 3.5Å; L182-N184 VanDerWaalsContact C-N 3.27Å; L182-N184 PolarHBondContact O-N 3.2Å
185V95Very high96.8Very high0 Ų018.3 Ų18.30%09%0.093CC..EExtended strand (participates in β ladder)trans-72.5142.5-176.8-60.80000112.3G56 L58 A180 L183 I213G56-V185 CarbonylContact O-C 3.57Å; G56-V185 WeakPolarHBondContact O-CA 3.47Å; G56-V185 WeakPolarHBondContact O-CB 3.17Å; L58-V185 HydrophobicContact CB-CB 4.39Å; L58-V185 HydrophobicContact CB-CG1 3.78Å; L58-V185 HydrophobicContact CB-CG2 4.47Å; A180-V185 HydrophobicContact CB-CG2 3.69Å; A180-V185 PolarHBondContact O-N 3.49Å; A180-V185 VanDerWaalsContact O-N 3.14Å; L183-V185 HydrophobicContact CB-CG1 3.56Å; L183-V185 HydrophobicContact CD1-CG1 4.11Å; L183-V185 HydrophobicContact CG-CG1 4.49Å; V185-I213 HydrophobicContact CG2-CD1 4.31Å; V185-I213 HydrophobicContact CG2-CG2 4.33Å
186G94.4Very high96.6Very high0 Ų018.6 Ų18.60%09%0.094CC..EExtended strand (participates in β ladder)trans-92.7-9.1176.700000113.4F45 P46 G53 G56 P214F45-G186 VanDerWaalsContact CE2-C 3.46Å; F45-G186 WeakPolarHBondContact CE2-O 3.49Å; P46-G186 WeakPolarHBondContact CD-O 3.43Å; G53-G186 VanDerWaalsContact CA-N 3.32Å; G56-G186 PolarHBondContact O-N 2.87Å; G186-P214 VanDerWaalsContact O-CD 3.26Å; G186-P214 WeakPolarHBondContact O-CD 3.3Å
187C96Very high96.3Very high5 Ų518.9 Ų18.93%0.03410%0.096CC..EExtended strand (participates in β ladder)trans-160.3141.8173.2-1770000111F45 V57 L58 P214F45-C187 HydrophobicContact CD2-CB 4.02Å; F45-C187 HydrophobicContact CE2-CB 3.77Å; V57-C187 HydrophobicContact CG2-CB 4.44Å; L58-C187 PolarHBondContact N-O 3.43Å; C187-P214 WeakPolarHBondContact CA-O 3.18Å; C187-P214 PolarHBondContact SG-O 3.23Å; C187-P214 VanDerWaalsContact SG-O 3.38Å
188L98.2Very high96.1Very high0 Ų019 Ų190%010%0.097CC..EExtended strand (participates in β ladder)trans-106.1135.7168.7-174.863.5000109.7L58 W60 V176 V205 L209 I213 P214 F215 C216L58-L188 HydrophobicContact CB-CD1 3.93Å; L58-L188 HydrophobicContact CD2-CD1 3.8Å; L58-L188 HydrophobicContact CG-CD1 3.79Å; W60-L188 HydrophobicContact CB-CD1 4.15Å; V176-L188 HydrophobicContact CG1-CD1 4.39Å; V176-L188 HydrophobicContact CG1-CD2 4.13Å; L188-V205 HydrophobicContact CD2-CG1 3.7Å; L188-L209 HydrophobicContact CB-CD2 4.26Å; L188-L209 HydrophobicContact CD2-CD1 4.22Å; L188-L209 HydrophobicContact CD2-CD2 4.1Å; L188-I213 HydrophobicContact CB-CG2 4.4Å; L188-P214 PolarHBondContact N-O 2.82Å; L188-F215 HydrophobicContact CB-CD2 3.76Å; L188-F215 HydrophobicContact CB-CE2 4.34Å; L188-F215 HydrophobicContact CB-CG 4.38Å; L188-F215 HydrophobicContact CD2-CD1 4.45Å; L188-F215 HydrophobicContact CD2-CD2 3.65Å; L188-F215 HydrophobicContact CD2-CE1 4.4Å; L188-F215 HydrophobicContact CD2-CE2 3.62Å; L188-F215 HydrophobicContact CD2-CG 4.1Å; L188-F215 HydrophobicContact CD2-CZ 4.01Å; L188-F215 HydrophobicContact CG-CD2 3.56Å; L188-F215 HydrophobicContact CG-CE2 3.63Å; L188-F215 HydrophobicContact CG-CG 4.39Å; L188-F215 HydrophobicContact CG-CZ 4.48Å; L188-F215 WeakPolarHBondContact O-CA 3.36Å; L188-F215 WeakPolarHBondContact O-CD2 3.4Å; L188-C216 PolarHBondContact O-N 2.92Å
189V98.6Very high95.9Very high0 Ų020.7 Ų20.70%010%0.099CC..EExtended strand (participates in β ladder)trans-125.7140174.1-1790000108.6V57 L58 Y59 W60 Y75 A76 L79 C216 V218V57-V189 HydrophobicContact CG1-CG2 4.14Å; L58-V189 PolarHBondContact O-N 2.89Å; Y59-V189 CarbonylContact C-O 3.58Å; Y59-V189 WeakPolarHBondContact CA-O 3.32Å; Y59-V189 HydrophobicContact CD2-CG1 4.48Å; W60-V189 PolarHBondContact N-O 2.84Å; Y75-V189 HydrophobicContact CD1-CG1 4.01Å; Y75-V189 HydrophobicContact CD1-CG2 4.08Å; Y75-V189 HydrophobicContact CE1-CG2 4.25Å; A76-V189 HydrophobicContact CB-CB 4.25Å; A76-V189 HydrophobicContact CB-CG1 4.45Å; A76-V189 HydrophobicContact CB-CG2 4.26Å; L79-V189 HydrophobicContact CD1-CG2 4.02Å; V189-C216 CarbonylContact C-O 3.51Å; V189-C216 VanDerWaalsContact CA-O 3.27Å; V189-C216 WeakPolarHBondContact CA-O 3.39Å; V189-V218 HydrophobicContact CG1-CG2 3.93Å
190T98.9Very high95.7Very high1 Ų121.1 Ų21.11%0.00610%0.103CC..EExtended strand (participates in β ladder)trans-135.8168.6169.6-163.60000111.8W60 V202 F215 C216 E217 V218W60-T190 HydrophobicContact CE3-CG2 4.45Å; W60-T190 WeakPolarHBondContact O-CA 3.31Å; W60-T190 WeakPolarHBondContact O-CB 3.47Å; W60-T190 PolarHBondContact O-OG1 3.21Å; T190-V202 HydrophobicContact CG2-CG2 4.11Å; T190-F215 HydrophobicContact CG2-CE2 3.6Å; T190-F215 HydrophobicContact CG2-CZ 3.65Å; T190-C216 PolarHBondContact N-O 3.17Å; T190-E217 HydrophobicContact CG2-CB 4.12Å; T190-E217 HydrophobicContact CG2-CG 3.95Å; T190-E217 CarbonylContact O-C 3.55Å; T190-E217 WeakPolarHBondContact O-CA 3.46Å; T190-V218 PolarHBondContact O-N 2.86Å
191D98.8Very high95.6Very high4 Ų421.7 Ų21.72%0.02111%0.105CC..EExtended strand (participates in β ladder)trans-93.9159.6174.254.353000112.3Y59 S62 R63 D64 A72 V218 A220Y59-D191 HydrophobicContact CE2-CB 4.4Å; Y59-D191 PolarHBondContact OH-OD2 3.25Å; S62-D191 WeakPolarHBondContact CB-OD1 3.39Å; S62-D191 PolarHBondContact N-OD1 2.89Å; S62-D191 PolarHBondContact N-OD2 2.99Å; R63-D191 WeakPolarHBondContact CB-OD1 3.24Å; R63-D191 PolarHBondContact N-OD1 3.02Å; R63-D191 PolarHBondContact N-OD2 2.85Å; D64-D191 HydrophobicContact CB-CB 4.36Å; D64-D191 PolarHBondContact N-OD2 2.88Å; A72-D191 HydrophobicContact CB-CB 3.97Å; D191-V218 CarbonylContact C-O 3.54Å; D191-V218 WeakPolarHBondContact CA-O 3.4Å; D191-A220 HydrophobicContact CB-CB 4.37Å
192F98.7Very high95.7Very high0 Ų017.2 Ų17.20%09%0.087CC..  trans-90.3135.4-174.9169.3-104.9000113R63 P194 E217 V218 D219 V226 W227 F380R63-F192 VanDerWaalsContact CD-O 3.31Å; R63-F192 WeakPolarHBondContact CD-O 3.48Å; F192-P194 HydrophobicContact CE1-CB 4.2Å; F192-P194 HydrophobicContact CE1-CG 4.36Å; F192-P194 HydrophobicContact CZ-CB 3.67Å; F192-P194 HydrophobicContact CZ-CG 4.3Å; F192-E217 HydrophobicContact CB-CG 4.18Å; F192-E217 WeakPolarHBondContact CD2-OE1 3.34Å; F192-V218 PolarHBondContact N-O 3.47Å; F192-D219 HydrophobicContact CB-CB 4.25Å; F192-D219 HydrophobicContact CD1-CB 4.5Å; F192-V226 HydrophobicContact CD1-CG1 4.13Å; F192-V226 HydrophobicContact CE1-CB 3.89Å; F192-V226 HydrophobicContact CE1-CG1 3.42Å; F192-V226 VanDerWaalsContact CE1-CG1 3.42Å; F192-V226 HydrophobicContact CE1-CG2 4.48Å; F192-V226 HydrophobicContact CE2-CG1 4.14Å; F192-V226 HydrophobicContact CZ-CB 4.28Å; F192-V226 HydrophobicContact CZ-CG1 3.43Å; F192-V226 VanDerWaalsContact CZ-CG1 3.43Å; F192-W227 HydrophobicContact CB-CH2 4.35Å; F192-W227 HydrophobicContact CB-CZ3 4.37Å; F192-W227 HydrophobicContact CD1-CZ3 4.49Å; F192-W227 AromaticContact CD2-CZ3 3.78Å; F192-W227 HydrophobicContact CD2-CZ3 3.78Å; F192-W227 HydrophobicContact CE2-CZ3 4.22Å; F192-W227 HydrophobicContact CG-CH2 4.39Å; F192-W227 AromaticContact CG-CZ3 3.93Å; F192-W227 HydrophobicContact CG-CZ3 3.93Å; F192-F380 AromaticContact CE2-CD2 3.78Å; F192-F380 HydrophobicContact CE2-CD2 3.78Å; F192-F380 AromaticContact CE2-CE2 3.96Å; F192-F380 HydrophobicContact CE2-CE2 3.96Å; F192-F380 AromaticContact CZ-CD2 3.56Å; F192-F380 HydrophobicContact CZ-CD2 3.56Å; F192-F380 HydrophobicContact CZ-CE2 4.13Å; F192-F380 HydrophobicContact CZ-CG 4.32Å
193C97.9Very high95.7Very high6 Ų617.5 Ų17.54%0.0418%0.083CC..  trans-137.7129.8166.3-173.30000110.5R63 L195 P198 R199R63-C193 HydrophobicContact CB-CB 4.45Å; C193-L195 PolarHBondContact O-N 2.91Å; C193-P198 HydrophobicContact CB-CB 3.8Å; C193-P198 HydrophobicContact CB-CG 4.17Å; C193-R199 VanDerWaalsContact O-CG 3.3Å; C193-R199 WeakPolarHBondContact O-CG 3.36Å
194P97.5Very high95.6Very high1 Ų120.2 Ų20.21%0.00610%0.095CC..  trans-76.9-10.2-17932.4-37.4000113.5R63 F192 R199 E376 C379 F380 P480R63-P194 VanDerWaalsContact NH1-CD 3.27Å; F192-P194 HydrophobicContact CE1-CB 4.2Å; F192-P194 HydrophobicContact CE1-CG 4.36Å; F192-P194 HydrophobicContact CZ-CB 3.67Å; F192-P194 HydrophobicContact CZ-CG 4.3Å; P194-R199 WeakPolarHBondContact O-CD 3.31Å; P194-E376 VanDerWaalsContact CD-OE2 3.22Å; P194-E376 WeakPolarHBondContact CD-OE2 3.47Å; P194-E376 VanDerWaalsContact CG-OE2 3.23Å; P194-E376 WeakPolarHBondContact CG-OE2 3.31Å; P194-C379 HydrophobicContact CB-CB 3.88Å; P194-C379 HydrophobicContact CG-CB 3.93Å; P194-F380 HydrophobicContact CB-CB 4.02Å; P194-P480 HydrophobicContact CG-CB 4.42Å; P194-P480 HydrophobicContact CG-CG 3.59Å
195L95Very high95.8Very high2 Ų217.4 Ų17.41%0.018%0.08CC..SBendtrans-71.8151.8-174.7-60.6-174.6000111.7Y97 C193 A197 P198 R199 C379 Y385 T478 P480 Y483Y97-L195 WeakPolarHBondContact OH-CB 3.36Å; Y97-L195 WeakPolarHBondContact OH-CD1 3.27Å; C193-L195 PolarHBondContact O-N 2.91Å; L195-A197 PolarHBondContact O-N 2.91Å; L195-P198 HydrophobicContact CB-CG 4.45Å; L195-P198 WeakPolarHBondContact O-CD 3.4Å; L195-R199 WeakPolarHBondContact O-CB 3.25Å; L195-R199 VanDerWaalsContact O-CG 3.23Å; L195-R199 WeakPolarHBondContact O-CG 3.22Å; L195-R199 PolarHBondContact O-N 3.31Å; L195-R199 VanDerWaalsContact O-N 3.16Å; L195-C379 HydrophobicContact CD2-CB 4.43Å; L195-Y385 HydrophobicContact CD2-CE1 4.5Å; L195-Y385 HydrophobicContact CD2-CE2 4.12Å; L195-T478 WeakPolarHBondContact CD1-O 3.48Å; L195-P480 HydrophobicContact CD2-CG 3.91Å; L195-P480 HydrophobicContact CG-CG 4.19Å; L195-Y483 HydrophobicContact CD1-CE2 4.03Å; L195-Y483 HydrophobicContact CD2-CD2 3.68Å; L195-Y483 HydrophobicContact CD2-CE2 3.56Å; L195-Y483 HydrophobicContact CG-CE2 4.44Å
196R91.9Very high96Very high8 Ų818.7 Ų18.73%0.039%0.088CC..Hα-helixtrans-58.6-50.3-170.9-164.5176.5-58.8111.41113.8H147 R148 E152 R199 S200 P383 Y385 D386H147-R196 HydrophobicContact CB-CB 4.41Å; H147-R196 HydrophobicContact CB-CG 4.21Å; H147-R196 VanDerWaalsContact ND1-CD 3.33Å; H147-R196 WeakPolarHBondContact ND1-CD 3.42Å; H147-R196 PolarHBondContact O-NH1 3.13Å; R148-R196 VanDerWaalsContact C-NH1 3.32Å; R148-R196 VanDerWaalsContact CA-NH1 3.34Å; E152-R196 WeakPolarHBondContact OE1-CD 3.21Å; E152-R196 WeakPolarHBondContact OE1-CG 3.37Å; R196-R199 PolarHBondContact O-N 2.91Å; R196-S200 PolarHBondContact O-N 2.87Å; R196-P383 PolarHBondContact NH2-O 3.33Å; R196-Y385 HydrophobicContact CB-CE1 4.42Å; R196-Y385 WeakPolarHBondContact CB-OH 3.48Å; R196-Y385 PolarHBondContact N-OH 3.19Å; R196-D386 IonicContact CZ-OD1 3.02Å; R196-D386 IonicContact CZ-OD2 2.74Å; R196-D386 IonicContact NH1-OD1 3.59Å; R196-D386 IonicContact NH1-OD2 3.79Å; R196-D386 PolarHBondContact NH1-OD2 3.42Å; R196-D386 IonicContact NH2-OD1 3.57Å; R196-D386 PolarHBondContact NH2-OD1 3.02Å; R196-D386 IonicContact NH2-OD2 2.86Å; R196-D386 PolarHBondContact NH2-OD2 2.88Å
197A89.9Confident96.1Very high7 Ų723.5 Ų23.56%0.05811%0.114CC..Hα-helixtrans-66.6-48-175.700000113.2Y97 H147 L195 R199 S200 W201Y97-A197 HydrophobicContact CD2-CB 3.84Å; Y97-A197 HydrophobicContact CE2-CB 3.55Å; H147-A197 HydrophobicContact CB-CB 3.83Å; L195-A197 PolarHBondContact O-N 2.91Å; A197-R199 PolarHBondContact O-N 2.87Å; A197-S200 PolarHBondContact O-N 3.49Å; A197-S200 PolarHBondContact O-OG 2.83Å; A197-W201 HydrophobicContact CB-CZ2 4.05Å; A197-W201 PolarHBondContact O-N 3.36Å; A197-W201 PolarHBondContact O-NE1 3.26Å
198P93.9Very high96.1Very high5 Ų526.6 Ų26.63%0.03213%0.127CC..Hα-helixtrans-60.1-36.1175-2838.4000112.4Y97 C193 L195 W201 V202Y97-P198 HydrophobicContact CE1-CG 3.5Å; Y97-P198 VanDerWaalsContact CZ-CG 3.48Å; Y97-P198 WeakPolarHBondContact OH-CD 3.28Å; Y97-P198 WeakPolarHBondContact OH-CG 2.96Å; C193-P198 HydrophobicContact CB-CB 3.8Å; C193-P198 HydrophobicContact CB-CG 4.17Å; L195-P198 HydrophobicContact CB-CG 4.45Å; L195-P198 WeakPolarHBondContact O-CD 3.4Å; P198-W201 HydrophobicContact CB-CE3 4.26Å; P198-W201 HydrophobicContact CG-CE3 4.41Å; P198-W201 HydrophobicContact CG-CZ3 4.25Å; P198-W201 PolarHBondContact O-N 3.2Å; P198-V202 VanDerWaalsContact O-CG2 3.31Å; P198-V202 WeakPolarHBondContact O-CG2 3.25Å; P198-V202 PolarHBondContact O-N 2.74Å
199R94Very high96.1Very high97 Ų9726.9 Ų26.937%0.36613%0.129SC..Hα-helixtrans-65.5-39.2173.6-71.2178.967170.92.9112.5C193 P194 L195 R196 A197 W201 K203 F380C193-R199 VanDerWaalsContact O-CG 3.3Å; C193-R199 WeakPolarHBondContact O-CG 3.36Å; P194-R199 WeakPolarHBondContact O-CD 3.31Å; L195-R199 WeakPolarHBondContact O-CB 3.25Å; L195-R199 VanDerWaalsContact O-CG 3.23Å; L195-R199 WeakPolarHBondContact O-CG 3.22Å; L195-R199 PolarHBondContact O-N 3.31Å; L195-R199 VanDerWaalsContact O-N 3.16Å; R196-R199 PolarHBondContact O-N 2.91Å; A197-R199 PolarHBondContact O-N 2.87Å; R199-W201 VanDerWaalsContact C-N 3.33Å; R199-K203 VanDerWaalsContact O-CB 3.31Å; R199-K203 WeakPolarHBondContact O-CB 3.34Å; R199-K203 PolarHBondContact O-N 3.27Å; R199-F380 PolarHBondContact NH1-O 2.49Å
200S92.1Very high95.9Very high19 Ų1928.7 Ų28.713%0.13314%0.141CC..Hα-helixtrans-65-39.7175.478.60000110.9E169 R196 A197 K203 K204E169-S200 PolarHBondContact OE2-OG 3.11Å; R196-S200 PolarHBondContact O-N 2.87Å; A197-S200 PolarHBondContact O-N 3.49Å; A197-S200 PolarHBondContact O-OG 2.83Å; S200-K203 PolarHBondContact O-N 3.37Å; S200-K204 WeakPolarHBondContact O-CB 2.88Å; S200-K204 PolarHBondContact O-N 2.84Å
201W94.7Very high95.6Very high13 Ų1335.6 Ų35.65%0.04918%0.178CC..Hα-helixtrans-63.5-50.5175.9-52.5-16.4000112W60 V94 Y97 E169 V172 A197 P198 R199 K203 K204 V205W60-W201 HydrophobicContact CH2-CB 3.93Å; W60-W201 HydrophobicContact CZ2-CB 4.35Å; V94-W201 HydrophobicContact CB-CH2 3.8Å; V94-W201 HydrophobicContact CB-CZ2 3.99Å; V94-W201 HydrophobicContact CG1-CH2 4.01Å; V94-W201 HydrophobicContact CG1-CZ2 3.66Å; V94-W201 HydrophobicContact CG2-CE3 4.44Å; V94-W201 HydrophobicContact CG2-CH2 3.57Å; V94-W201 HydrophobicContact CG2-CZ2 3.86Å; V94-W201 HydrophobicContact CG2-CZ3 3.93Å; Y97-W201 AromaticContact CD1-CH2 3.17Å; Y97-W201 HydrophobicContact CD1-CH2 3.17Å; Y97-W201 AromaticContact CD1-CZ2 3.92Å; Y97-W201 HydrophobicContact CD1-CZ2 3.92Å; Y97-W201 AromaticContact CD1-CZ3 3.93Å; Y97-W201 HydrophobicContact CD1-CZ3 3.93Å; Y97-W201 HydrophobicContact CD2-CH2 4.28Å; Y97-W201 HydrophobicContact CD2-CZ2 4.21Å; Y97-W201 AromaticContact CE1-CH2 3.77Å; Y97-W201 HydrophobicContact CE1-CH2 3.77Å; Y97-W201 HydrophobicContact CE1-CZ2 4.5Å; Y97-W201 HydrophobicContact CE1-CZ3 4.19Å; Y97-W201 AromaticContact CG-CH2 3.47Å; Y97-W201 HydrophobicContact CG-CH2 3.47Å; Y97-W201 VanDerWaalsContact CG-CH2 3.47Å; Y97-W201 AromaticContact CG-CZ2 3.75Å; Y97-W201 HydrophobicContact CG-CZ2 3.75Å; E169-W201 VanDerWaalsContact CA-CD1 3.49Å; V172-W201 HydrophobicContact CB-CB 4.39Å; V172-W201 HydrophobicContact CB-CG 4.29Å; V172-W201 HydrophobicContact CG1-CB 3.91Å; V172-W201 HydrophobicContact CG1-CD2 4.47Å; V172-W201 HydrophobicContact CG1-CG 4.16Å; V172-W201 HydrophobicContact CG2-CD2 4.23Å; V172-W201 HydrophobicContact CG2-CG 4.25Å; A197-W201 HydrophobicContact CB-CZ2 4.05Å; A197-W201 PolarHBondContact O-N 3.36Å; A197-W201 PolarHBondContact O-NE1 3.26Å; P198-W201 HydrophobicContact CB-CE3 4.26Å; P198-W201 HydrophobicContact CG-CE3 4.41Å; P198-W201 HydrophobicContact CG-CZ3 4.25Å; P198-W201 PolarHBondContact O-N 3.2Å; R199-W201 VanDerWaalsContact C-N 3.33Å; W201-K203 VanDerWaalsContact C-N 3.28Å; W201-K203 PolarHBondContact O-N 2.96Å; W201-K204 PolarHBondContact O-N 2.82Å; W201-K204 VanDerWaalsContact O-N 3.16Å; W201-V205 WeakPolarHBondContact O-CG2 3.27Å; W201-V205 PolarHBondContact O-N 3.14Å
202V97.3Very high95.3Very high17 Ų1738.8 Ų38.810%0.10320%0.195CC..Hα-helixtrans-59.4-42.8177.6170.10000110.4L39 W60 T190 P198 T206 F215L39-V202 HydrophobicContact CD1-CG1 3.42Å; L39-V202 VanDerWaalsContact CD1-CG1 3.42Å; W60-V202 HydrophobicContact CH2-CG2 4.11Å; W60-V202 HydrophobicContact CZ3-CG2 3.99Å; T190-V202 HydrophobicContact CG2-CG2 4.11Å; P198-V202 VanDerWaalsContact O-CG2 3.31Å; P198-V202 WeakPolarHBondContact O-CG2 3.25Å; P198-V202 PolarHBondContact O-N 2.74Å; V202-T206 WeakPolarHBondContact O-CB 3.45Å; V202-T206 PolarHBondContact O-N 3.18Å; V202-T206 PolarHBondContact O-OG1 3.47Å; V202-F215 HydrophobicContact CG1-CE1 4.05Å; V202-F215 HydrophobicContact CG1-CZ 4.15Å
203K96Very high95.1Very high120 Ų12039 Ų3952%0.52220%0.196SC..Hα-helixtrans-60.1-48174.9174.4164.9171.736.50111.6R199 S200 W201 V205 T206 D207R199-K203 VanDerWaalsContact O-CB 3.31Å; R199-K203 WeakPolarHBondContact O-CB 3.34Å; R199-K203 PolarHBondContact O-N 3.27Å; S200-K203 PolarHBondContact O-N 3.37Å; W201-K203 VanDerWaalsContact C-N 3.28Å; W201-K203 PolarHBondContact O-N 2.96Å; K203-V205 PolarHBondContact O-N 2.69Å; K203-T206 WeakPolarHBondContact O-CA 3.39Å; K203-T206 VanDerWaalsContact O-CB 3.29Å; K203-T206 WeakPolarHBondContact O-CB 3.49Å; K203-T206 PolarHBondContact O-N 2.76Å; K203-T206 VanDerWaalsContact O-N 3.12Å; K203-D207 VanDerWaalsContact NZ-CG 3.29Å; K203-D207 IonicContact NZ-OD1 2.74Å; K203-D207 PolarHBondContact NZ-OD1 2.75Å; K203-D207 IonicContact NZ-OD2 2.63Å; K203-D207 PolarHBondContact NZ-OD2 3.24Å; K203-D207 PolarHBondContact O-N 3.36Å
204K95.4Very high95Very high60 Ų6039 Ų3926%0.26120%0.196SC..Hα-helixtrans-65.3-39.7-177.9-169.359.6160.9146.20112.3E169 T170 A173 S200 W201 D207 E208E169-K204 HydrophobicContact CB-CB 3.8Å; E169-K204 HydrophobicContact CB-CG 4.04Å; E169-K204 HydrophobicContact CG-CB 4.42Å; E169-K204 HydrophobicContact CG-CG 4.33Å; E169-K204 WeakPolarHBondContact O-CG 3.37Å; T170-K204 WeakPolarHBondContact OG1-CE 3.38Å; A173-K204 HydrophobicContact CB-CB 4.03Å; A173-K204 HydrophobicContact CB-CG 3.54Å; S200-K204 WeakPolarHBondContact O-CB 2.88Å; S200-K204 PolarHBondContact O-N 2.84Å; W201-K204 PolarHBondContact O-N 2.82Å; W201-K204 VanDerWaalsContact O-N 3.16Å; K204-D207 PolarHBondContact O-N 2.82Å; K204-E208 WeakPolarHBondContact CE-OE1 3.32Å; K204-E208 IonicContact NZ-OE1 3.85Å; K204-E208 PolarHBondContact NZ-OE1 2.94Å; K204-E208 WeakPolarHBondContact O-CG 3.5Å; K204-E208 PolarHBondContact O-N 3.29Å; K204-E208 VanDerWaalsContact O-N 3.11Å
205V98.1Very high95Very high0 Ų039 Ų390%020%0.196CC..Hα-helixtrans-60.4-45.6169.8170.60000110.6W60 A173 V176 V177 L188 W201 K203 D207 E208 L209 F215W60-V205 HydrophobicContact CE3-CG2 4.39Å; W60-V205 HydrophobicContact CH2-CG2 3.83Å; W60-V205 HydrophobicContact CZ3-CB 4Å; W60-V205 HydrophobicContact CZ3-CG1 4.23Å; W60-V205 HydrophobicContact CZ3-CG2 3.59Å; A173-V205 HydrophobicContact CB-CG2 3.93Å; V176-V205 HydrophobicContact CB-CG2 4.18Å; V176-V205 HydrophobicContact CG1-CG1 4.28Å; V176-V205 HydrophobicContact CG1-CG2 4.31Å; V177-V205 HydrophobicContact CG2-CG1 4.31Å; L188-V205 HydrophobicContact CD2-CG1 3.7Å; W201-V205 WeakPolarHBondContact O-CG2 3.27Å; W201-V205 PolarHBondContact O-N 3.14Å; K203-V205 PolarHBondContact O-N 2.69Å; V205-D207 VanDerWaalsContact C-N 3.27Å; V205-D207 PolarHBondContact O-N 3.48Å; V205-E208 PolarHBondContact O-N 3.33Å; V205-L209 WeakPolarHBondContact O-CB 3.44Å; V205-L209 PolarHBondContact O-N 3.01Å; V205-F215 HydrophobicContact CB-CE1 4.15Å; V205-F215 HydrophobicContact CG1-CD1 4.26Å; V205-F215 HydrophobicContact CG1-CE1 3.69Å; V205-F215 HydrophobicContact CG1-CZ 4.06Å
206T97.9Very high95.1Very high28 Ų2839.3 Ų39.317%0.17220%0.198CC..Hα-helixtrans-57.4-41.4177.9-55.20000111.7L39 V202 K203 F215L39-T206 HydrophobicContact CB-CG2 4.17Å; V202-T206 WeakPolarHBondContact O-CB 3.45Å; V202-T206 PolarHBondContact O-N 3.18Å; V202-T206 PolarHBondContact O-OG1 3.47Å; K203-T206 WeakPolarHBondContact O-CA 3.39Å; K203-T206 VanDerWaalsContact O-CB 3.29Å; K203-T206 WeakPolarHBondContact O-CB 3.49Å; K203-T206 PolarHBondContact O-N 2.76Å; K203-T206 VanDerWaalsContact O-N 3.12Å; T206-F215 WeakPolarHBondContact OG1-CD1 3.35Å; T206-F215 WeakPolarHBondContact OG1-CE1 3.08Å
207D97Very high95.4Very high101 Ų10139.1 Ų39.154%0.5420%0.197SC..Hα-helixtrans-73.8-25-178.7-62.2-24.9000113K203 K204 V205K203-D207 VanDerWaalsContact NZ-CG 3.29Å; K203-D207 IonicContact NZ-OD1 2.74Å; K203-D207 PolarHBondContact NZ-OD1 2.75Å; K203-D207 IonicContact NZ-OD2 2.63Å; K203-D207 PolarHBondContact NZ-OD2 3.24Å; K203-D207 PolarHBondContact O-N 3.36Å; K204-D207 PolarHBondContact O-N 2.82Å; V205-D207 VanDerWaalsContact C-N 3.27Å; V205-D207 PolarHBondContact O-N 3.48Å
208E97.3Very high95.9Very high69 Ų6938.8 Ų38.832%0.32219%0.194SC..Hα-helixtrans-106.6-14.5-175.6-69-172.4-165.900114.6V177 K204 V205V177-E208 HydrophobicContact CG2-CB 4.19Å; K204-E208 WeakPolarHBondContact CE-OE1 3.32Å; K204-E208 IonicContact NZ-OE1 3.85Å; K204-E208 PolarHBondContact NZ-OE1 2.94Å; K204-E208 WeakPolarHBondContact O-CG 3.5Å; K204-E208 PolarHBondContact O-N 3.29Å; K204-E208 VanDerWaalsContact O-N 3.11Å; V205-E208 PolarHBondContact O-N 3.33Å
209L97.2Very high96.1Very high6 Ų638.5 Ų38.53%0.03119%0.193CC..SBendtrans-68.6135176.8-166.473.4000109.6V177 A180 L188 V205 D211 I213 F215V177-L209 HydrophobicContact CG2-CD1 4.25Å; A180-L209 HydrophobicContact CB-CD1 4.11Å; L188-L209 HydrophobicContact CB-CD2 4.26Å; L188-L209 HydrophobicContact CD2-CD1 4.22Å; L188-L209 HydrophobicContact CD2-CD2 4.1Å; V205-L209 WeakPolarHBondContact O-CB 3.44Å; V205-L209 PolarHBondContact O-N 3.01Å; L209-D211 PolarHBondContact O-N 3.01Å; L209-I213 HydrophobicContact CD1-CB 4.45Å; L209-I213 HydrophobicContact CD1-CD1 4.03Å; L209-I213 HydrophobicContact CD1-CG2 4.41Å; L209-I213 HydrophobicContact CD2-CB 3.86Å; L209-I213 HydrophobicContact CD2-CG2 3.77Å; L209-I213 HydrophobicContact CG-CB 3.98Å; L209-I213 HydrophobicContact CG-CD1 4.35Å; L209-I213 HydrophobicContact CG-CG2 4.26Å; L209-F215 HydrophobicContact CD2-CB 3.77Å; L209-F215 HydrophobicContact CD2-CG 4.25Å
210P94.7Very high96.3Very high39 Ų3934 Ų3425%0.25318%0.177SC..  trans-51.6134.8174.3-29.135.7000113K181 N212 I213K181-P210 HydrophobicContact CG-CG 4.47Å; P210-N212 WeakPolarHBondContact CB-OD1 3.19Å; P210-N212 PolarHBondContact O-N 2.85Å; P210-I213 HydrophobicContact CB-CD1 4.32Å; P210-I213 HydrophobicContact CB-CG1 4.37Å; P210-I213 HydrophobicContact CG-CD1 4.18Å; P210-I213 PolarHBondContact O-N 3.28Å
211D92.7Very high96.6Very high145 Ų14533.3 Ų33.378%0.77517%0.171SC*.THydrogen-bonded Turntrans-58.5-16.5-176.2-72.7-33.8000114.4G41 P42 L209G41-D211 VanDerWaalsContact CA-O 3.26Å; G41-D211 WeakPolarHBondContact CA-O 3.3Å; P42-D211 VanDerWaalsContact CD-O 3.22Å; P42-D211 WeakPolarHBondContact CD-O 3.41Å; L209-D211 PolarHBondContact O-N 3.01Å
212N91.5Very high96.8Very high72 Ų7232.8 Ų32.839%0.38517%0.169SC..THydrogen-bonded Turntrans-87.3-6.9176.864.1-27.7000113.8F52 P210 P214F52-N212 HydrophobicContact CE1-CB 4.09Å; F52-N212 WeakPolarHBondContact CE1-ND2 3.18Å; F52-N212 WeakPolarHBondContact CE2-ND2 3.4Å; F52-N212 HydrophobicContact CZ-CB 4.28Å; F52-N212 WeakPolarHBondContact CZ-ND2 3.46Å; P210-N212 WeakPolarHBondContact CB-OD1 3.19Å; P210-N212 PolarHBondContact O-N 2.85Å; N212-P214 WeakPolarHBondContact O-CD 3.44Å
213I94.7Very high96.9Very high4 Ų432 Ų322%0.02116%0.164CC..SBendtrans-97.3112.4175-56.6177.2000109.3F52 V185 L188 L209 P210 F215F52-I213 HydrophobicContact CE1-CG1 4.31Å; F52-I213 HydrophobicContact CE2-CG1 4.42Å; F52-I213 HydrophobicContact CZ-CD1 4.25Å; F52-I213 HydrophobicContact CZ-CG1 3.52Å; V185-I213 HydrophobicContact CG2-CD1 4.31Å; V185-I213 HydrophobicContact CG2-CG2 4.33Å; L188-I213 HydrophobicContact CB-CG2 4.4Å; L209-I213 HydrophobicContact CD1-CB 4.45Å; L209-I213 HydrophobicContact CD1-CD1 4.03Å; L209-I213 HydrophobicContact CD1-CG2 4.41Å; L209-I213 HydrophobicContact CD2-CB 3.86Å; L209-I213 HydrophobicContact CD2-CG2 3.77Å; L209-I213 HydrophobicContact CG-CB 3.98Å; L209-I213 HydrophobicContact CG-CD1 4.35Å; L209-I213 HydrophobicContact CG-CG2 4.26Å; P210-I213 HydrophobicContact CB-CD1 4.32Å; P210-I213 HydrophobicContact CB-CG1 4.37Å; P210-I213 HydrophobicContact CG-CD1 4.18Å; P210-I213 PolarHBondContact O-N 3.28Å; I213-F215 PolarHBondContact O-N 2.91Å
214P95.6Very high97Very high7 Ų726.2 Ų26.25%0.04514%0.139CC..  trans-58128168-20.530.3000111.6S40 P42 T44 G186 C187 L188 N212S40-P214 WeakPolarHBondContact O-CA 3.42Å; P42-P214 HydrophobicContact CG-CG 3.89Å; P42-P214 WeakPolarHBondContact O-CB 3.43Å; P42-P214 WeakPolarHBondContact O-CG 3.46Å; T44-P214 WeakPolarHBondContact O-CG 3.3Å; G186-P214 VanDerWaalsContact O-CD 3.26Å; G186-P214 WeakPolarHBondContact O-CD 3.3Å; C187-P214 WeakPolarHBondContact CA-O 3.18Å; C187-P214 PolarHBondContact SG-O 3.23Å; C187-P214 VanDerWaalsContact SG-O 3.38Å; L188-P214 PolarHBondContact N-O 2.82Å; N212-P214 WeakPolarHBondContact O-CD 3.44Å
215F98Very high97.2Very high0 Ų023.4 Ų23.40%013%0.127CC..EExtended strand (participates in β ladder)trans-113122.7172.1-171.5-162.1000110.9L39 S40 W60 L188 T190 V202 V205 T206 L209 I213L39-F215 HydrophobicContact CB-CB 4.41Å; L39-F215 HydrophobicContact CB-CD1 4.14Å; L39-F215 HydrophobicContact CB-CG 4.37Å; L39-F215 HydrophobicContact CD1-CD1 3.77Å; L39-F215 HydrophobicContact CD1-CE1 3.67Å; L39-F215 HydrophobicContact CD1-CE2 4.41Å; L39-F215 HydrophobicContact CD1-CG 4.21Å; L39-F215 HydrophobicContact CD1-CZ 4.01Å; L39-F215 PolarHBondContact N-O 3.4Å; S40-F215 PolarHBondContact O-N 2.84Å; W60-F215 HydrophobicContact CE3-CZ 4.09Å; W60-F215 HydrophobicContact CZ3-CZ 4.08Å; L188-F215 HydrophobicContact CB-CD2 3.76Å; L188-F215 HydrophobicContact CB-CE2 4.34Å; L188-F215 HydrophobicContact CB-CG 4.38Å; L188-F215 HydrophobicContact CD2-CD1 4.45Å; L188-F215 HydrophobicContact CD2-CD2 3.65Å; L188-F215 HydrophobicContact CD2-CE1 4.4Å; L188-F215 HydrophobicContact CD2-CE2 3.62Å; L188-F215 HydrophobicContact CD2-CG 4.1Å; L188-F215 HydrophobicContact CD2-CZ 4.01Å; L188-F215 HydrophobicContact CG-CD2 3.56Å; L188-F215 HydrophobicContact CG-CE2 3.63Å; L188-F215 HydrophobicContact CG-CG 4.39Å; L188-F215 HydrophobicContact CG-CZ 4.48Å; L188-F215 WeakPolarHBondContact O-CA 3.36Å; L188-F215 WeakPolarHBondContact O-CD2 3.4Å; T190-F215 HydrophobicContact CG2-CE2 3.6Å; T190-F215 HydrophobicContact CG2-CZ 3.65Å; V202-F215 HydrophobicContact CG1-CE1 4.05Å; V202-F215 HydrophobicContact CG1-CZ 4.15Å; V205-F215 HydrophobicContact CB-CE1 4.15Å; V205-F215 HydrophobicContact CG1-CD1 4.26Å; V205-F215 HydrophobicContact CG1-CE1 3.69Å; V205-F215 HydrophobicContact CG1-CZ 4.06Å; T206-F215 WeakPolarHBondContact OG1-CD1 3.35Å; T206-F215 WeakPolarHBondContact OG1-CE1 3.08Å; L209-F215 HydrophobicContact CD2-CB 3.77Å; L209-F215 HydrophobicContact CD2-CG 4.25Å; I213-F215 PolarHBondContact O-N 2.91Å
216C97.9Very high97.2Very high8 Ų823.7 Ų23.75%0.05413%0.129CC..EExtended strand (participates in β ladder)trans-119.3145.1178.2-64.40000111.6I36 R37 Y75 L188 V189 T190I36-C216 HydrophobicContact CG2-CB 3.95Å; R37-C216 CarbonylContact O-C 3.47Å; R37-C216 WeakPolarHBondContact O-CA 3.26Å; Y75-C216 HydrophobicContact CE1-CB 3.98Å; L188-C216 PolarHBondContact O-N 2.92Å; V189-C216 CarbonylContact C-O 3.51Å; V189-C216 VanDerWaalsContact CA-O 3.27Å; V189-C216 WeakPolarHBondContact CA-O 3.39Å; T190-C216 PolarHBondContact N-O 3.17Å
217E98.6Very high97.2Very high4 Ų424.8 Ų24.82%0.01913%0.13CC..EExtended strand (participates in β ladder)trans-117.4137.7171-174-157.1-125.800109.6I36 R37 L39 T190 F192I36-E217 CarbonylContact C-O 3.4Å; I36-E217 WeakPolarHBondContact CA-O 3.26Å; R37-E217 IonicContact CZ-OE2 3.62Å; R37-E217 PolarHBondContact N-O 3.22Å; R37-E217 IonicContact NE-OE2 3.2Å; R37-E217 PolarHBondContact NE-OE2 2.88Å; R37-E217 IonicContact NH2-OE1 3.51Å; R37-E217 PolarHBondContact NH2-OE1 3.24Å; R37-E217 IonicContact NH2-OE2 2.86Å; R37-E217 PolarHBondContact NH2-OE2 3.33Å; R37-E217 PolarHBondContact O-N 3.29Å; L39-E217 HydrophobicContact CD1-CB 3.88Å; L39-E217 HydrophobicContact CD2-CB 4.39Å; L39-E217 HydrophobicContact CG-CB 4.16Å; T190-E217 HydrophobicContact CG2-CB 4.12Å; T190-E217 HydrophobicContact CG2-CG 3.95Å; T190-E217 CarbonylContact O-C 3.55Å; T190-E217 WeakPolarHBondContact O-CA 3.46Å; F192-E217 HydrophobicContact CB-CG 4.18Å; F192-E217 WeakPolarHBondContact CD2-OE1 3.34Å
218V98.8Very high97.2Very high0 Ų021.7 Ų21.70%012%0.116CC..EExtended strand (participates in β ladder)trans-122.6130.3-176.4-174.40000110.6F31 R35 I36 W71 A72 Y75 V189 T190 D191 F192 A220F31-V218 HydrophobicContact CZ-CG1 4.37Å; R35-V218 HydrophobicContact CB-CG1 4.18Å; R35-V218 VanDerWaalsContact O-CA 3.31Å; R35-V218 WeakPolarHBondContact O-CA 3.25Å; I36-V218 HydrophobicContact CG1-CG2 4.11Å; W71-V218 HydrophobicContact CB-CG1 3.97Å; A72-V218 HydrophobicContact CB-CB 3.92Å; A72-V218 HydrophobicContact CB-CG1 4.42Å; Y75-V218 HydrophobicContact CD1-CG2 3.66Å; Y75-V218 HydrophobicContact CE1-CG2 4.45Å; Y75-V218 HydrophobicContact CG-CG2 4.16Å; V189-V218 HydrophobicContact CG1-CG2 3.93Å; T190-V218 PolarHBondContact O-N 2.86Å; D191-V218 CarbonylContact C-O 3.54Å; D191-V218 WeakPolarHBondContact CA-O 3.4Å; F192-V218 PolarHBondContact N-O 3.47Å; V218-A220 PolarHBondContact O-N 3.2Å
219D98.8Very high97Very high0 Ų018.7 Ų18.70%010%0.103CC..  trans-76.295169.1-162.4-24000110.4R35 F192 H221 N222 P225 V226 W227R35-D219 PolarHBondContact O-N 3.06Å; F192-D219 HydrophobicContact CB-CB 4.25Å; F192-D219 HydrophobicContact CD1-CB 4.5Å; D219-H221 PolarHBondContact OD1-N 3.08Å; D219-N222 WeakPolarHBondContact OD1-CB 3.25Å; D219-N222 PolarHBondContact OD1-N 3.26Å; D219-N222 PolarHBondContact OD1-ND2 3.09Å; D219-N222 PolarHBondContact OD2-ND2 3.15Å; D219-P225 HydrophobicContact CB-CB 3.92Å; D219-P225 HydrophobicContact CB-CG 4.42Å; D219-P225 VanDerWaalsContact OD2-CA 3.28Å; D219-P225 WeakPolarHBondContact OD2-CA 3.15Å; D219-V226 PolarHBondContact OD2-N 2.76Å; D219-W227 HydrophobicContact CB-CH2 3.84Å; D219-W227 HydrophobicContact CB-CZ2 4.02Å; D219-W227 HydrophobicContact CB-CZ3 4.47Å
220A98.7Very high97Very high3 Ų318.7 Ų18.73%0.02510%0.104CC..  trans-98.9-7.9177.700000113.5D64 R66 N70 W71 A72 D191 V218D64-A220 HydrophobicContact CB-CB 4.14Å; D64-A220 WeakPolarHBondContact OD2-CB 3.39Å; R66-A220 PolarHBondContact NH2-O 3.13Å; N70-A220 WeakPolarHBondContact OD1-CB 3.46Å; W71-A220 HydrophobicContact CB-CB 4.1Å; A72-A220 HydrophobicContact CB-CB 3.95Å; D191-A220 HydrophobicContact CB-CB 4.37Å; V218-A220 PolarHBondContact O-N 3.2Å
221H98.7Very high97.1Very high3 Ų325.8 Ų25.81%0.01413%0.133CC..SBendtrans-93-33.7-178.2-147.669.2000112R63 D64 D219 L336 P343 R372 E376R63-H221 PolarHBondContact NE-CD2 2.78Å; R63-H221 PolarHBondContact NH2-CD2 3.41Å; R63-H221 VanDerWaalsContact NH2-CD2 3.31Å; R63-H221 PolarHBondContact NH2-NE2 2.92Å; D64-H221 IonicContact OD1-CE1 3Å; D64-H221 IonicContact OD1-CG 3.93Å; D64-H221 IonicContact OD1-ND1 3.5Å; D64-H221 PolarHBondContact OD1-ND1 3.24Å; D64-H221 PolarHBondContact OD2-N 2.82Å; D64-H221 IonicContact OD2-ND1 3.17Å; D219-H221 PolarHBondContact OD1-N 3.08Å; H221-L336 PolarHBondContact CE1-O 2.99Å; H221-L336 PolarHBondContact NE2-O 3.02Å; H221-P343 WeakPolarHBondContact O-CG 3.34Å; H221-R372 PolarHBondContact CD2-NH1 3.49Å; H221-R372 VanDerWaalsContact CD2-NH1 3.32Å; H221-R372 PolarHBondContact O-NH2 3.17Å; H221-E376 IonicContact CD2-OE1 3.48Å
222N98.8Very high97.3Very high2 Ų225.3 Ų25.31%0.01113%0.125CC..  trans-98143.2-176.9-56.7-46.2000113.2R35 D219 V224 R372 E373 E376R35-N222 PolarHBondContact NH1-O 3.29Å; R35-N222 VanDerWaalsContact NH1-O 3.17Å; D219-N222 WeakPolarHBondContact OD1-CB 3.25Å; D219-N222 PolarHBondContact OD1-N 3.26Å; D219-N222 PolarHBondContact OD1-ND2 3.09Å; D219-N222 PolarHBondContact OD2-ND2 3.15Å; N222-V224 WeakPolarHBondContact CB-O 3.35Å; N222-R372 PolarHBondContact OD1-NH1 3.47Å; N222-R372 PolarHBondContact OD1-NH2 3.27Å; N222-E373 HydrophobicContact CB-CG 4.21Å; N222-E376 WeakPolarHBondContact OD1-CG 3.46Å
223I98.7Very high97.6Very high0 Ų024.7 Ų24.70%012%0.117CC..SBendtrans-61-55.5169.7-66.8161.7000106.9R35 F251 L252 Q344 V347 F369 E373R35-I223 PolarHBondContact NH1-O 3.35Å; R35-I223 PolarHBondContact NH2-O 3.19Å; I223-F251 HydrophobicContact CG2-CB 4.44Å; I223-F251 VanDerWaalsContact O-CB 3.3Å; I223-F251 WeakPolarHBondContact O-CB 3.22Å; I223-L252 HydrophobicContact CD1-CD1 4.07Å; I223-L252 HydrophobicContact CG1-CD1 4.3Å; I223-L252 HydrophobicContact CG2-CB 3.96Å; I223-L252 HydrophobicContact CG2-CD1 3.9Å; I223-Q344 HydrophobicContact CD1-CB 4.48Å; I223-Q344 HydrophobicContact CG1-CB 3.59Å; I223-Q344 HydrophobicContact CG1-CG 3.94Å; I223-V347 HydrophobicContact CD1-CB 3.93Å; I223-V347 HydrophobicContact CD1-CG1 4.14Å; I223-V347 HydrophobicContact CD1-CG2 3.79Å; I223-F369 HydrophobicContact CB-CD2 3.98Å; I223-F369 HydrophobicContact CB-CE2 3.65Å; I223-F369 HydrophobicContact CB-CZ 4.41Å; I223-F369 HydrophobicContact CD1-CB 4.12Å; I223-F369 HydrophobicContact CD1-CD2 3.46Å; I223-F369 VanDerWaalsContact CD1-CD2 3.46Å; I223-F369 HydrophobicContact CD1-CE2 3.97Å; I223-F369 HydrophobicContact CD1-CG 3.82Å; I223-F369 HydrophobicContact CG1-CD2 4.22Å; I223-F369 HydrophobicContact CG1-CE2 4.37Å; I223-F369 HydrophobicContact CG2-CE2 3.91Å; I223-F369 HydrophobicContact CG2-CZ 4.18Å; I223-E373 WeakPolarHBondContact CA-OE1 3.39Å; I223-E373 WeakPolarHBondContact CB-OE1 3.09Å; I223-E373 PolarHBondContact N-OE1 2.9Å
224V98.6Very high97.7Very high0 Ų024.9 Ų24.90%012%0.118CC..SBendtrans-98.7122.3172.9-1770000108.4N222 V226 C228 L244 Q247 F251 F369 E373N222-V224 WeakPolarHBondContact CB-O 3.35Å; V224-V226 PolarHBondContact O-N 2.6Å; V224-C228 HydrophobicContact CG1-CB 3.97Å; V224-L244 HydrophobicContact CB-CD2 3.9Å; V224-L244 HydrophobicContact CG1-CD2 4.23Å; V224-L244 HydrophobicContact CG2-CD2 4.14Å; V224-Q247 HydrophobicContact CG1-CB 3.83Å; V224-Q247 HydrophobicContact CG1-CG 4.16Å; V224-Q247 HydrophobicContact CG2-CB 3.82Å; V224-F251 HydrophobicContact CB-CD2 4.4Å; V224-F251 HydrophobicContact CG1-CD2 4.01Å; V224-F251 HydrophobicContact CG1-CE2 4.08Å; V224-F251 HydrophobicContact CG2-CB 4.24Å; V224-F251 HydrophobicContact CG2-CD2 4.13Å; V224-F369 HydrophobicContact CG2-CE2 4Å; V224-F369 HydrophobicContact CG2-CZ 3.86Å; V224-E373 PolarHBondContact N-OE2 3.49Å
225P98.6Very high97.8Very high0 Ų029 Ų290%013%0.133CC..  trans-49.7137.8177.1-29.136.3000111.6R35 D219 W227 C228 G229 F251R35-P225 HydrophobicContact CB-CG 4.09Å; R35-P225 HydrophobicContact CG-CG 3.71Å; D219-P225 HydrophobicContact CB-CB 3.92Å; D219-P225 HydrophobicContact CB-CG 4.42Å; D219-P225 VanDerWaalsContact OD2-CA 3.28Å; D219-P225 WeakPolarHBondContact OD2-CA 3.15Å; P225-W227 HydrophobicContact CB-CD2 4.45Å; P225-W227 HydrophobicContact CB-CZ2 4.23Å; P225-W227 PolarHBondContact O-N 3.28Å; P225-W227 VanDerWaalsContact O-N 3.08Å; P225-C228 HydrophobicContact CB-CB 4.17Å; P225-C228 CarbonylContact O-C 3.53Å; P225-C228 WeakPolarHBondContact O-CA 3.14Å; P225-C228 WeakPolarHBondContact O-CB 3.45Å; P225-C228 PolarHBondContact O-N 3.23Å; P225-G229 PolarHBondContact O-N 3.23Å; P225-F251 VanDerWaalsContact CD-CE1 3.47Å; P225-F251 HydrophobicContact CG-CD1 4.35Å; P225-F251 HydrophobicContact CG-CE1 3.84Å; P225-F251 HydrophobicContact CG-CZ 4.22Å
226V98.1Very high97.7Very high7 Ų730 Ų304%0.04214%0.139CC..Hα-helixtrans-56.3-36.7-169.1720000112.6F192 D219 V224 C228 G229 E376 F380F192-V226 HydrophobicContact CD1-CG1 4.13Å; F192-V226 HydrophobicContact CE1-CB 3.89Å; F192-V226 HydrophobicContact CE1-CG1 3.42Å; F192-V226 VanDerWaalsContact CE1-CG1 3.42Å; F192-V226 HydrophobicContact CE1-CG2 4.48Å; F192-V226 HydrophobicContact CE2-CG1 4.14Å; F192-V226 HydrophobicContact CZ-CB 4.28Å; F192-V226 HydrophobicContact CZ-CG1 3.43Å; F192-V226 VanDerWaalsContact CZ-CG1 3.43Å; D219-V226 PolarHBondContact OD2-N 2.76Å; V224-V226 PolarHBondContact O-N 2.6Å; V226-C228 VanDerWaalsContact C-N 3.31Å; V226-C228 PolarHBondContact O-N 3.49Å; V226-G229 PolarHBondContact O-N 3.38Å; V226-E376 HydrophobicContact CG2-CB 4.25Å; V226-F380 HydrophobicContact CG1-CD1 4.17Å; V226-F380 HydrophobicContact CG1-CD2 3.92Å; V226-F380 HydrophobicContact CG1-CE1 4.35Å; V226-F380 HydrophobicContact CG1-CE2 4.08Å; V226-F380 HydrophobicContact CG1-CG 3.94Å; V226-F380 HydrophobicContact CG1-CZ 4.3Å; V226-F380 HydrophobicContact CG2-CB 3.79Å; V226-F380 HydrophobicContact CG2-CD1 4.13Å; V226-F380 HydrophobicContact CG2-CG 3.97Å
227W97.4Very high97.6Very high51 Ų5129.9 Ų29.919%0.19314%0.14CC..Hα-helixtrans-77.7-12177.449.278.7000113.8S34 R35 R37 F192 D219 P225S34-W227 PolarHBondContact O-NE1 3.36Å; R35-W227 WeakPolarHBondContact O-CZ2 3Å; R37-W227 HydrophobicContact CG-CD2 3.94Å; R37-W227 HydrophobicContact CG-CE3 4.08Å; R37-W227 HydrophobicContact CG-CH2 3.74Å; R37-W227 HydrophobicContact CG-CZ2 3.58Å; R37-W227 HydrophobicContact CG-CZ3 4Å; F192-W227 HydrophobicContact CB-CH2 4.35Å; F192-W227 HydrophobicContact CB-CZ3 4.37Å; F192-W227 HydrophobicContact CD1-CZ3 4.49Å; F192-W227 AromaticContact CD2-CZ3 3.78Å; F192-W227 HydrophobicContact CD2-CZ3 3.78Å; F192-W227 HydrophobicContact CE2-CZ3 4.22Å; F192-W227 HydrophobicContact CG-CH2 4.39Å; F192-W227 AromaticContact CG-CZ3 3.93Å; F192-W227 HydrophobicContact CG-CZ3 3.93Å; D219-W227 HydrophobicContact CB-CH2 3.84Å; D219-W227 HydrophobicContact CB-CZ2 4.02Å; D219-W227 HydrophobicContact CB-CZ3 4.47Å; P225-W227 HydrophobicContact CB-CD2 4.45Å; P225-W227 HydrophobicContact CB-CZ2 4.23Å; P225-W227 PolarHBondContact O-N 3.28Å; P225-W227 VanDerWaalsContact O-N 3.08Å
228C97.1Very high97.5Very high36 Ų3638.5 Ų38.524%0.24317%0.172CC..Hα-helixtrans-95.8-24.1170.7-65.30000112.7V224 P225 V226 F251V224-C228 HydrophobicContact CG1-CB 3.97Å; P225-C228 HydrophobicContact CB-CB 4.17Å; P225-C228 CarbonylContact O-C 3.53Å; P225-C228 WeakPolarHBondContact O-CA 3.14Å; P225-C228 WeakPolarHBondContact O-CB 3.45Å; P225-C228 PolarHBondContact O-N 3.23Å; V226-C228 VanDerWaalsContact C-N 3.31Å; V226-C228 PolarHBondContact O-N 3.49Å; C228-F251 HydrophobicContact CB-CE2 4.22Å; C228-F251 HydrophobicContact CB-CZ 4.15Å
229G95Very high97.4Very high5 Ų540.2 Ų40.25%0.05218%0.182CC..Hα-helixtrans-71.5-40.5-178.800000112.8P225 V226 K243P225-G229 PolarHBondContact O-N 3.23Å; V226-G229 PolarHBondContact O-N 3.38Å; G229-K243 WeakPolarHBondContact O-CB 3.46Å
230S96.9Very high97.3Very high7 Ų740.3 Ų40.35%0.04918%0.183CC..  trans-163.7140.6167.9-169.60000111.3K232 E234 K243 H381S230-K232 WeakPolarHBondContact CB-O 3.48Å; S230-K232 PolarHBondContact O-N 2.65Å; S230-K232 PolarHBondContact OG-N 3.32Å; S230-K232 PolarHBondContact OG-O 3.29Å; S230-E234 PolarHBondContact OG-OE1 2.86Å; S230-K243 PolarHBondContact OG-NZ 3.42Å; S230-H381 PolarHBondContact O-NE2 3.33Å
231E95.6Very high97.2Very high187 Ų18744 Ų4487%0.87420%0.196SC*.SBendtrans-71.4-7176-62.6175.5177.700113.6H381E231-H381 PolarHBondContact O-CE1 3.03Å; E231-H381 VanDerWaalsContact O-CE1 3.23Å
232K97.1Very high97.1Very high136 Ų13647.5 Ų47.559%0.59122%0.221SC*.SBendtrans-144.3167.9-179.765.9-179.9-178.7-178.40112.2S230 E234 N377 H381S230-K232 WeakPolarHBondContact CB-O 3.48Å; S230-K232 PolarHBondContact O-N 2.65Å; S230-K232 PolarHBondContact OG-N 3.32Å; S230-K232 PolarHBondContact OG-O 3.29Å; K232-E234 PolarHBondContact O-N 3.4Å; K232-N377 PolarHBondContact O-ND2 3.11Å; K232-H381 PolarHBondContact O-CD2 3.26Å
233R97.5Very high97.1Very high58 Ų5850.6 Ų50.622%0.21923%0.234CC..  trans-56.9126.2166.5179.7-172.9171.8163.3-17110.5N377 F378 H381 T382 G390 Y392R233-N377 WeakPolarHBondContact CA-OD1 3.24Å; R233-F378 HydrophobicContact CG-CD2 4.49Å; R233-H381 HydrophobicContact CB-CB 3.76Å; R233-T382 WeakPolarHBondContact CD-OG1 3.46Å; R233-T382 PolarHBondContact NH1-OG1 3.03Å; R233-G390 VanDerWaalsContact CZ-O 3.23Å; R233-G390 PolarHBondContact NH1-O 2.94Å; R233-G390 PolarHBondContact NH2-O 2.71Å; R233-Y392 PolarHBondContact NE-OH 3.28Å; R233-Y392 VanDerWaalsContact NH2-CE2 3.26Å
234E98.1Very high97Very high8 Ų850.7 Ų50.74%0.03724%0.235CC..  trans-88.5142.4176.1-72.4-60136.300112.1S230 K232 T239 I240 K243 L374 N377 Y392 H494S230-E234 PolarHBondContact OG-OE1 2.86Å; K232-E234 PolarHBondContact O-N 3.4Å; E234-T239 WeakPolarHBondContact OE2-CB 3.3Å; E234-T239 PolarHBondContact OE2-OG1 3.3Å; E234-I240 HydrophobicContact CB-CB 3.92Å; E234-I240 HydrophobicContact CB-CD1 4.35Å; E234-I240 HydrophobicContact CB-CG1 4.37Å; E234-I240 HydrophobicContact CG-CB 3.77Å; E234-I240 HydrophobicContact CG-CD1 4.08Å; E234-I240 HydrophobicContact CG-CG1 3.86Å; E234-K243 IonicContact OE1-NZ 2.92Å; E234-K243 PolarHBondContact OE1-NZ 3.02Å; E234-L374 HydrophobicContact CB-CD1 3.85Å; E234-N377 PolarHBondContact N-OD1 3.26Å; E234-Y392 PolarHBondContact O-OH 2.83Å; E234-H494 PolarHBondContact O-CE1 3.14Å; E234-H494 VanDerWaalsContact O-CE1 3.24Å; E234-H494 PolarHBondContact O-ND1 3.42Å
235Y96.7Very high96.9Very high95 Ų9555.4 Ų55.437%0.37326%0.255SS..SBendtrans-70.7-40.7-177.6-174-96.3000112.2T239 Y392 W394 H494 D495Y235-T239 PolarHBondContact N-OG1 2.95Å; Y235-Y392 VanDerWaalsContact CA-OH 3.31Å; Y235-Y392 WeakPolarHBondContact CA-OH 3.45Å; Y235-Y392 AromaticContact CD2-CD1 3.74Å; Y235-Y392 HydrophobicContact CD2-CD1 3.74Å; Y235-Y392 HydrophobicContact CD2-CD2 4.24Å; Y235-Y392 AromaticContact CD2-CE1 3.41Å; Y235-Y392 HydrophobicContact CD2-CE1 3.41Å; Y235-Y392 VanDerWaalsContact CD2-CE1 3.41Å; Y235-Y392 AromaticContact CD2-CE2 3.95Å; Y235-Y392 HydrophobicContact CD2-CE2 3.95Å; Y235-Y392 HydrophobicContact CD2-CG 4.16Å; Y235-Y392 AromaticContact CD2-CZ 3.53Å; Y235-Y392 AromaticContact CE2-CD1 3.76Å; Y235-Y392 HydrophobicContact CE2-CD1 3.76Å; Y235-Y392 AromaticContact CE2-CD2 3.89Å; Y235-Y392 HydrophobicContact CE2-CD2 3.89Å; Y235-Y392 AromaticContact CE2-CE1 3.91Å; Y235-Y392 HydrophobicContact CE2-CE1 3.91Å; Y235-Y392 HydrophobicContact CE2-CE2 4.04Å; Y235-Y392 AromaticContact CE2-CG 3.77Å; Y235-Y392 HydrophobicContact CE2-CG 3.77Å; Y235-Y392 HydrophobicContact CG-CE1 4.42Å; Y235-W394 PolarHBondContact OH-NE1 3.47Å; Y235-W394 VanDerWaalsContact OH-NE1 3.13Å; Y235-H494 VanDerWaalsContact O-CA 3.26Å; Y235-H494 WeakPolarHBondContact O-CA 3.19Å; Y235-H494 PolarHBondContact O-ND1 2.72Å; Y235-D495 PolarHBondContact OH-O 2.83Å
236S96.4Very high96.8Very high19 Ų1962.6 Ų62.613%0.13329%0.289CS..SBendtrans-153.7168.9-171.865.10000112.3R238 T239 I240S236-R238 PolarHBondContact O-N 3.18Å; S236-R238 VanDerWaalsContact O-N 3.14Å; S236-R238 PolarHBondContact OG-N 3.01Å; S236-T239 PolarHBondContact N-OG1 3.35Å; S236-T239 PolarHBondContact O-N 3.26Å; S236-T239 PolarHBondContact O-OG1 3.47Å; S236-I240 PolarHBondContact O-N 2.91Å
237A95.7Very high96.7Very high7 Ų764.8 Ų64.86%0.05830%0.299CS..Hα-helixtrans-53.6-33.7170.800000112.4T239 R241 L374A237-T239 VanDerWaalsContact C-N 3.34Å; A237-T239 PolarHBondContact O-N 3.48Å; A237-R241 WeakPolarHBondContact O-CB 3.04Å; A237-R241 PolarHBondContact O-N 3.39Å; A237-R241 VanDerWaalsContact O-N 3.08Å; A237-L374 HydrophobicContact CB-CD2 4.17Å
238R96Very high96.5Very high185 Ų18563.4 Ų63.470%0.69830%0.297SS*.Hα-helixtrans-62.4-40.1177.7-172.6-177.771.492.3-2.1112.4S236S236-R238 PolarHBondContact O-N 3.18Å; S236-R238 VanDerWaalsContact O-N 3.14Å; S236-R238 PolarHBondContact OG-N 3.01Å
239T96.4Very high96.4Very high35 Ų3567 Ų6722%0.21532%0.32CS..Hα-helixtrans-79.9-40.4-172.662.60000111.6E234 Y235 S236 A237 S242E234-T239 WeakPolarHBondContact OE2-CB 3.3Å; E234-T239 PolarHBondContact OE2-OG1 3.3Å; Y235-T239 PolarHBondContact N-OG1 2.95Å; S236-T239 PolarHBondContact N-OG1 3.35Å; S236-T239 PolarHBondContact O-N 3.26Å; S236-T239 PolarHBondContact O-OG1 3.47Å; A237-T239 VanDerWaalsContact C-N 3.34Å; A237-T239 PolarHBondContact O-N 3.48Å; T239-S242 PolarHBondContact O-OG 2.67Å
240I97.4Very high96.5Very high2 Ų270.2 Ų70.21%0.0133%0.332CS..Hα-helixtrans-73.2-33.9177.7-157.4167.2000112.9E234 S236 S242 K243 L244 L374 N377E234-I240 HydrophobicContact CB-CB 3.92Å; E234-I240 HydrophobicContact CB-CD1 4.35Å; E234-I240 HydrophobicContact CB-CG1 4.37Å; E234-I240 HydrophobicContact CG-CB 3.77Å; E234-I240 HydrophobicContact CG-CD1 4.08Å; E234-I240 HydrophobicContact CG-CG1 3.86Å; S236-I240 PolarHBondContact O-N 2.91Å; I240-S242 VanDerWaalsContact C-N 3.34Å; I240-S242 PolarHBondContact O-N 3.35Å; I240-K243 WeakPolarHBondContact O-CB 3.31Å; I240-K243 PolarHBondContact O-N 3.4Å; I240-L244 HydrophobicContact CD1-CD1 4.21Å; I240-L244 HydrophobicContact CG1-CD1 3.91Å; I240-L244 HydrophobicContact CG1-CG 3.92Å; I240-L244 HydrophobicContact CG2-CD1 4.36Å; I240-L244 PolarHBondContact O-N 3.02Å; I240-L374 HydrophobicContact CB-CD1 4.14Å; I240-L374 HydrophobicContact CD1-CB 4.33Å; I240-L374 HydrophobicContact CD1-CD1 3.96Å; I240-L374 HydrophobicContact CG2-CB 4.08Å; I240-L374 HydrophobicContact CG2-CD1 3.91Å; I240-L374 HydrophobicContact CG2-CG 4.38Å; I240-N377 HydrophobicContact CD1-CB 3.73Å
241R97.5Very high96.5Very high80 Ų8069.9 Ų69.930%0.30233%0.33SS..Hα-helixtrans-52.1-50.8-174.8178.7-179.6-49.4114.23.4112.1A237 K243 L244 F245 E366A237-R241 WeakPolarHBondContact O-CB 3.04Å; A237-R241 PolarHBondContact O-N 3.39Å; A237-R241 VanDerWaalsContact O-N 3.08Å; R241-K243 VanDerWaalsContact C-N 3.27Å; R241-K243 PolarHBondContact O-N 3.21Å; R241-L244 PolarHBondContact O-N 3.37Å; R241-F245 HydrophobicContact CG-CD2 3.44Å; R241-F245 VanDerWaalsContact CG-CD2 3.44Å; R241-F245 HydrophobicContact CG-CE2 3.46Å; R241-F245 VanDerWaalsContact CG-CE2 3.46Å; R241-F245 WeakPolarHBondContact O-CB 3.49Å; R241-F245 VanDerWaalsContact O-CD2 3.25Å; R241-F245 WeakPolarHBondContact O-CD2 3.28Å; R241-F245 PolarHBondContact O-N 3.2Å; R241-E366 IonicContact CZ-OE1 3.82Å; R241-E366 IonicContact CZ-OE2 3.67Å; R241-E366 IonicContact NE-OE1 3.75Å; R241-E366 IonicContact NE-OE2 2.87Å; R241-E366 PolarHBondContact NE-OE2 2.6Å; R241-E366 IonicContact NH2-OE1 2.98Å; R241-E366 PolarHBondContact NH2-OE1 2.82Å; R241-E366 IonicContact NH2-OE2 3.56Å
242S96.1Very high96.6Very high77 Ų7763 Ų6354%0.53830%0.299SS..Hα-helixtrans-59.7-37.8-179.562.90000112.9T239 I240 Q246T239-S242 PolarHBondContact O-OG 2.67Å; I240-S242 VanDerWaalsContact C-N 3.34Å; I240-S242 PolarHBondContact O-N 3.35Å; S242-Q246 WeakPolarHBondContact O-CB 3.48Å; S242-Q246 PolarHBondContact O-N 3.42Å
243K97.7Very high96.5Very high67 Ų6758.3 Ų58.329%0.29128%0.282SS..Hα-helixtrans-70.2-46.6179.6-61.2-179.2170.4-1740111.6G229 S230 E234 I240 R241 Q246 Q247G229-K243 WeakPolarHBondContact O-CB 3.46Å; S230-K243 PolarHBondContact OG-NZ 3.42Å; E234-K243 IonicContact OE1-NZ 2.92Å; E234-K243 PolarHBondContact OE1-NZ 3.02Å; I240-K243 WeakPolarHBondContact O-CB 3.31Å; I240-K243 PolarHBondContact O-N 3.4Å; R241-K243 VanDerWaalsContact C-N 3.27Å; R241-K243 PolarHBondContact O-N 3.21Å; K243-Q246 PolarHBondContact O-N 2.65Å; K243-Q247 WeakPolarHBondContact O-CG 3.32Å; K243-Q247 PolarHBondContact O-N 2.78Å; K243-Q247 VanDerWaalsContact O-N 3.15Å
244L97.7Very high96.5Very high2 Ų257.2 Ų57.21%0.0128%0.28CS..Hα-helixtrans-63.3-44.4177.6-65.7177.8000111.7V224 I240 R241 Q246 Q247 S248 F369 E373V224-L244 HydrophobicContact CB-CD2 3.9Å; V224-L244 HydrophobicContact CG1-CD2 4.23Å; V224-L244 HydrophobicContact CG2-CD2 4.14Å; I240-L244 HydrophobicContact CD1-CD1 4.21Å; I240-L244 HydrophobicContact CG1-CD1 3.91Å; I240-L244 HydrophobicContact CG1-CG 3.92Å; I240-L244 HydrophobicContact CG2-CD1 4.36Å; I240-L244 PolarHBondContact O-N 3.02Å; R241-L244 PolarHBondContact O-N 3.37Å; L244-Q246 VanDerWaalsContact C-N 3.32Å; L244-Q246 PolarHBondContact O-N 3.17Å; L244-Q247 CarbonylContact O-C 3.57Å; L244-Q247 PolarHBondContact O-N 2.75Å; L244-Q247 VanDerWaalsContact O-N 3.11Å; L244-S248 PolarHBondContact O-N 3.06Å; L244-F369 HydrophobicContact CB-CE1 4.18Å; L244-F369 HydrophobicContact CB-CE2 4.26Å; L244-F369 HydrophobicContact CB-CZ 3.76Å; L244-F369 HydrophobicContact CD1-CE2 4.41Å; L244-E373 HydrophobicContact CD1-CB 3.9Å; L244-E373 WeakPolarHBondContact CD2-OE2 3.33Å
245F95.3Very high96.5Very high99 Ų9956.9 Ų56.943%0.43428%0.279SS..Hα-helixtrans-63.6-35.2175.3-85.9-68.1000113R241 Q247 S248 P249 N370R241-F245 HydrophobicContact CG-CD2 3.44Å; R241-F245 VanDerWaalsContact CG-CD2 3.44Å; R241-F245 HydrophobicContact CG-CE2 3.46Å; R241-F245 VanDerWaalsContact CG-CE2 3.46Å; R241-F245 WeakPolarHBondContact O-CB 3.49Å; R241-F245 VanDerWaalsContact O-CD2 3.25Å; R241-F245 WeakPolarHBondContact O-CD2 3.28Å; R241-F245 PolarHBondContact O-N 3.2Å; F245-Q247 PolarHBondContact O-N 3.32Å; F245-S248 PolarHBondContact O-N 3.34Å; F245-S248 PolarHBondContact O-OG 2.77Å; F245-P249 WeakPolarHBondContact O-CD 3.44Å; F245-N370 WeakPolarHBondContact CE2-ND2 3.39Å
246Q96.5Very high96.6Very high151 Ų15152.4 Ų52.471%0.70626%0.261SS*.Hα-helixtrans-63.9-33.3174.2-173179.91000112S242 K243 L244S242-Q246 WeakPolarHBondContact O-CB 3.48Å; S242-Q246 PolarHBondContact O-N 3.42Å; K243-Q246 PolarHBondContact O-N 2.65Å; L244-Q246 VanDerWaalsContact C-N 3.32Å; L244-Q246 PolarHBondContact O-N 3.17Å
247Q96.7Very high96.6Very high54 Ų5451.7 Ų51.725%0.25226%0.256SS..Hα-helixtrans-84.9-18.7177.9-63.6-60.7-35.300113V224 K243 L244 F245 P249 K250 F251V224-Q247 HydrophobicContact CG1-CB 3.83Å; V224-Q247 HydrophobicContact CG1-CG 4.16Å; V224-Q247 HydrophobicContact CG2-CB 3.82Å; K243-Q247 WeakPolarHBondContact O-CG 3.32Å; K243-Q247 PolarHBondContact O-N 2.78Å; K243-Q247 VanDerWaalsContact O-N 3.15Å; L244-Q247 CarbonylContact O-C 3.57Å; L244-Q247 PolarHBondContact O-N 2.75Å; L244-Q247 VanDerWaalsContact O-N 3.11Å; F245-Q247 PolarHBondContact O-N 3.32Å; Q247-P249 VanDerWaalsContact C-CD 3.47Å; Q247-K250 WeakPolarHBondContact O-CB 3.39Å; Q247-K250 PolarHBondContact O-N 3.43Å; Q247-F251 HydrophobicContact CB-CD2 3.93Å; Q247-F251 HydrophobicContact CB-CE2 4.19Å; Q247-F251 WeakPolarHBondContact O-CD2 3.48Å; Q247-F251 PolarHBondContact O-N 3.47Å
248S93.8Very high96.8Very high22 Ų2251.6 Ų51.615%0.15426%0.255CS..Hα-helixtrans-59.9-37.6-171.875.30000114.7L244 F245 K250 F251 L252L244-S248 PolarHBondContact O-N 3.06Å; F245-S248 PolarHBondContact O-N 3.34Å; F245-S248 PolarHBondContact O-OG 2.77Å; S248-K250 PolarHBondContact O-N 3.31Å; S248-K250 VanDerWaalsContact O-N 3.15Å; S248-F251 PolarHBondContact O-N 3.45Å; S248-F251 VanDerWaalsContact O-N 3.15Å; S248-L252 VanDerWaalsContact O-CB 3.3Å; S248-L252 WeakPolarHBondContact O-CB 3.47Å; S248-L252 PolarHBondContact O-N 2.77Å
249P94.9Very high96.8Very high111 Ų11145 Ų4572%0.72123%0.233SC*.Hα-helixtrans-61.2-25.7176.4-23.535.4000113.5F245 Q247F245-P249 WeakPolarHBondContact O-CD 3.44Å; Q247-P249 VanDerWaalsContact C-CD 3.47Å
250K95.7Very high96.8Very high72 Ų7249 Ų4931%0.31325%0.247SC..Hα-helixtrans-82.3-34.7177.8178.4-178.8170-172.10112.1H32 S34 Q247 S248H32-K250 PolarHBondContact CD2-O 3.44Å; H32-K250 VanDerWaalsContact CD2-O 3.23Å; H32-K250 PolarHBondContact NE2-O 3.29Å; H32-K250 VanDerWaalsContact NE2-O 3.12Å; S34-K250 PolarHBondContact OG-NZ 2.74Å; S34-K250 VanDerWaalsContact OG-NZ 3.08Å; Q247-K250 WeakPolarHBondContact O-CB 3.39Å; Q247-K250 PolarHBondContact O-N 3.43Å; S248-K250 PolarHBondContact O-N 3.31Å; S248-K250 VanDerWaalsContact O-N 3.15Å
251F97.8Very high96.8Very high0 Ų049.1 Ų49.10%025%0.248CC..Hα-helixtrans-115.2-25.9-165.8-70.8-71.3000115.5H32 R35 I223 V224 P225 C228 Q247 S248 T253 Q344H32-F251 HydrophobicContact CB-CE1 4.24Å; R35-F251 HydrophobicContact CG-CD1 4.45Å; R35-F251 HydrophobicContact CG-CE1 4.22Å; R35-F251 PolarHBondContact NH2-O 3.26Å; I223-F251 HydrophobicContact CG2-CB 4.44Å; I223-F251 VanDerWaalsContact O-CB 3.3Å; I223-F251 WeakPolarHBondContact O-CB 3.22Å; V224-F251 HydrophobicContact CB-CD2 4.4Å; V224-F251 HydrophobicContact CG1-CD2 4.01Å; V224-F251 HydrophobicContact CG1-CE2 4.08Å; V224-F251 HydrophobicContact CG2-CB 4.24Å; V224-F251 HydrophobicContact CG2-CD2 4.13Å; P225-F251 VanDerWaalsContact CD-CE1 3.47Å; P225-F251 HydrophobicContact CG-CD1 4.35Å; P225-F251 HydrophobicContact CG-CE1 3.84Å; P225-F251 HydrophobicContact CG-CZ 4.22Å; C228-F251 HydrophobicContact CB-CE2 4.22Å; C228-F251 HydrophobicContact CB-CZ 4.15Å; Q247-F251 HydrophobicContact CB-CD2 3.93Å; Q247-F251 HydrophobicContact CB-CE2 4.19Å; Q247-F251 WeakPolarHBondContact O-CD2 3.48Å; Q247-F251 PolarHBondContact O-N 3.47Å; S248-F251 PolarHBondContact O-N 3.45Å; S248-F251 VanDerWaalsContact O-N 3.15Å; F251-T253 PolarHBondContact O-N 2.95Å; F251-Q344 PolarHBondContact O-NE2 2.92Å
252L97.2Very high96.5Very high43 Ų4349.7 Ų49.723%0.22526%0.26CS..  trans-81.562.2175.7-171.262.1000109.9I223 S248 Q344 V347 L348I223-L252 HydrophobicContact CD1-CD1 4.07Å; I223-L252 HydrophobicContact CG1-CD1 4.3Å; I223-L252 HydrophobicContact CG2-CB 3.96Å; I223-L252 HydrophobicContact CG2-CD1 3.9Å; S248-L252 VanDerWaalsContact O-CB 3.3Å; S248-L252 WeakPolarHBondContact O-CB 3.47Å; S248-L252 PolarHBondContact O-N 2.77Å; L252-Q344 HydrophobicContact CD1-CG 4.07Å; L252-V347 HydrophobicContact CD1-CB 4.42Å; L252-V347 HydrophobicContact CD1-CG1 3.93Å; L252-V347 HydrophobicContact CD2-CG1 4.09Å; L252-L348 HydrophobicContact CD1-CD2 3.98Å; L252-L348 HydrophobicContact CD1-CG 4.09Å; L252-L348 HydrophobicContact CG-CD2 4.06Å
253T96.5Very high96.3Very high37 Ų3746.6 Ų46.623%0.22724%0.238CC..  trans-95.4165173.967.50000109.8F251 Q344 L348F251-T253 PolarHBondContact O-N 2.95Å; T253-Q344 PolarHBondContact O-NE2 3.3Å; T253-L348 WeakPolarHBondContact O-CD1 3.4Å
254D96.8Very high95.8Very high36 Ų3645.1 Ų45.119%0.19324%0.237CC..  trans-71.5174.9162-143.9-39.5000110.4T22 R345T22-D254 HydrophobicContact CG2-CB 4.3Å; T22-D254 WeakPolarHBondContact OG1-CB 3.23Å; D254-R345 IonicContact OD1-CZ 3.28Å; D254-R345 IonicContact OD1-NH1 2.76Å; D254-R345 PolarHBondContact OD1-NH1 3.46Å; D254-R345 IonicContact OD1-NH2 3.39Å; D254-R345 PolarHBondContact OD1-NH2 3.44Å; D254-R345 IonicContact OD2-NH1 2.6Å
255F98.2Very high95.4Very high1 Ų151.1 Ų51.10%0.00427%0.269CS..  trans-107.2140.3-176.1-67.2-94.1000111.3R19 D69 W71 I74 A342 Q344 L348R19-F255 VanDerWaalsContact CA-O 3.29Å; R19-F255 WeakPolarHBondContact CA-O 3.31Å; D69-F255 HydrophobicContact CB-CD1 4.14Å; D69-F255 HydrophobicContact CB-CD2 3.87Å; D69-F255 HydrophobicContact CB-CE1 4.11Å; D69-F255 HydrophobicContact CB-CE2 3.87Å; D69-F255 HydrophobicContact CB-CG 3.99Å; D69-F255 HydrophobicContact CB-CZ 3.99Å; D69-F255 WeakPolarHBondContact OD1-CB 3.48Å; D69-F255 WeakPolarHBondContact OD1-CD2 3.2Å; D69-F255 WeakPolarHBondContact OD1-CG 3.31Å; W71-F255 AromaticContact CD1-CE1 3.83Å; W71-F255 HydrophobicContact CD2-CD1 4Å; W71-F255 AromaticContact CD2-CE1 3.72Å; W71-F255 HydrophobicContact CD2-CE1 3.72Å; W71-F255 AromaticContact CE2-CD1 3.6Å; W71-F255 AromaticContact CE2-CE1 3.16Å; W71-F255 AromaticContact CE2-CZ 3.95Å; W71-F255 HydrophobicContact CE3-CD1 4.21Å; W71-F255 HydrophobicContact CE3-CE1 4.39Å; W71-F255 HydrophobicContact CG-CE1 4.12Å; W71-F255 AromaticContact CH2-CD1 3.68Å; W71-F255 HydrophobicContact CH2-CD1 3.68Å; W71-F255 HydrophobicContact CH2-CE1 4.11Å; W71-F255 HydrophobicContact CH2-CG 4.31Å; W71-F255 AromaticContact CZ2-CD1 3.44Å; W71-F255 HydrophobicContact CZ2-CD1 3.44Å; W71-F255 VanDerWaalsContact CZ2-CD1 3.44Å; W71-F255 AromaticContact CZ2-CE1 3.4Å; W71-F255 HydrophobicContact CZ2-CE1 3.4Å; W71-F255 VanDerWaalsContact CZ2-CE1 3.4Å; W71-F255 HydrophobicContact CZ2-CG 4.19Å; W71-F255 HydrophobicContact CZ2-CZ 4.07Å; W71-F255 HydrophobicContact CZ3-CD1 4.06Å; W71-F255 AromaticContact NE1-CE1 3.24Å; W71-F255 AromaticContact NE1-CZ 3.71Å; I74-F255 HydrophobicContact CD1-CB 4.49Å; I74-F255 HydrophobicContact CD1-CD1 3.83Å; F255-A342 HydrophobicContact CZ-CB 4.32Å; F255-Q344 HydrophobicContact CE2-CB 3.87Å; F255-Q344 HydrophobicContact CE2-CG 3.56Å; F255-Q344 HydrophobicContact CZ-CB 3.69Å; F255-Q344 VanDerWaalsContact CZ-CD 3.41Å; F255-Q344 HydrophobicContact CZ-CG 3.65Å; F255-L348 HydrophobicContact CD2-CD1 4.37Å; F255-L348 HydrophobicContact CE2-CD1 4.27Å
256P97.8Very high95.3Very high0 Ų050.7 Ų50.70%027%0.267CS..PPolyproline II helixtrans-68.4157.9162.534.3-37.7000110.7A23 F29 I74A23-P256 HydrophobicContact CB-CB 4.02Å; F29-P256 HydrophobicContact CB-CB 3.77Å; F29-P256 HydrophobicContact CB-CG 3.77Å; F29-P256 HydrophobicContact CD1-CG 3.83Å; F29-P256 HydrophobicContact CD2-CB 4.13Å; F29-P256 HydrophobicContact CD2-CG 4.07Å; F29-P256 HydrophobicContact CE1-CG 4.46Å; F29-P256 HydrophobicContact CG-CB 3.93Å; F29-P256 HydrophobicContact CG-CG 3.61Å; I74-P256 HydrophobicContact CD1-CG 3.94Å; I74-P256 HydrophobicContact CG1-CG 4.26Å; I74-P256 HydrophobicContact CG2-CG 3.83Å
257P97.9Very high95.1Very high5 Ų545 Ų453%0.03224%0.241CC..PPolyproline II helixtrans-73.1145.3174.332.3-34.4000110.8R19 L20 A23 I259R19-P257 HydrophobicContact CB-CB 4.2Å; R19-P257 WeakPolarHBondContact O-CD 3.42Å; L20-P257 HydrophobicContact CD2-CG 4.21Å; A23-P257 WeakPolarHBondContact O-CD 3.41Å; P257-I259 HydrophobicContact CB-CG2 4.18Å; P257-I259 HydrophobicContact CG-CG2 3.92Å
258I98.2Very high94.8Very high5 Ų548.2 Ų48.23%0.02626%0.264CS..PPolyproline II helixtrans-76.5125.9153.7-60.5-58.3000107.1V67 Q68 F73 I74 Q77 L122 I124V67-I258 HydrophobicContact CG1-CB 3.97Å; V67-I258 HydrophobicContact CG1-CG1 4.17Å; V67-I258 HydrophobicContact CG1-CG2 3.91Å; V67-I258 WeakPolarHBondContact O-CG1 3.43Å; Q68-I258 PolarHBondContact NE2-O 3.36Å; F73-I258 HydrophobicContact CB-CD1 4.28Å; F73-I258 HydrophobicContact CD1-CD1 3.69Å; F73-I258 HydrophobicContact CD1-CG1 3.99Å; F73-I258 HydrophobicContact CD1-CG2 4.16Å; F73-I258 HydrophobicContact CE1-CD1 4.44Å; F73-I258 HydrophobicContact CE1-CG1 4.5Å; F73-I258 HydrophobicContact CE1-CG2 3.86Å; F73-I258 HydrophobicContact CG-CD1 4.25Å; F73-I258 HydrophobicContact CG-CG1 4.34Å; I74-I258 HydrophobicContact CB-CD1 4.26Å; I74-I258 HydrophobicContact CG1-CD1 3.61Å; I74-I258 HydrophobicContact CG1-CG1 4.41Å; Q77-I258 HydrophobicContact CB-CD1 4.36Å; L122-I258 HydrophobicContact CD1-CG2 3.92Å; I124-I258 HydrophobicContact CD1-CG2 4.12Å
259I96.8Very high94.7Very high45 Ų4549.1 Ų49.123%0.23127%0.269CS..  trans-108.8169.5-177.763.1165.1000111.4Q77 M81 P257 H261Q77-I259 PolarHBondContact NE2-O 3.25Å; M81-I259 HydrophobicContact CE-CD1 4.12Å; M81-I259 HydrophobicContact SD-CD1 4.45Å; P257-I259 HydrophobicContact CB-CG2 4.18Å; P257-I259 HydrophobicContact CG-CG2 3.92Å; I259-H261 PolarHBondContact O-N 3.1Å
260K97.3Very high94.7Very high120 Ų12050.1 Ų50.152%0.52227%0.267SS..  trans-57126.1171.1-172.7173.4-174.1171.80110L122 N123L122-K260 CarbonylContact O-C 3.57Å; L122-K260 VanDerWaalsContact O-CA 3.32Å; L122-K260 WeakPolarHBondContact O-CA 3.41Å; N123-K260 HydrophobicContact CB-CG 4.21Å; N123-K260 WeakPolarHBondContact ND2-CE 3.4Å; N123-K260 VanDerWaalsContact OD1-CE 3.26Å; N123-K260 WeakPolarHBondContact OD1-CE 3.46Å
261H96.1Very high94.6Very high4 Ų448 Ų482%0.01926%0.261CS..  trans-72.5132-176.1-163.157.2000111.1V85 L87 L122 I124 I259V85-H261 PolarHBondContact O-CE1 2.87Å; V85-H261 PolarHBondContact O-NE2 3.47Å; L87-H261 PolarHBondContact N-CD2 3.11Å; L87-H261 PolarHBondContact N-NE2 3.14Å; L122-H261 PolarHBondContact O-N 3.26Å; I124-H261 HydrophobicContact CD1-CB 4.47Å; I124-H261 HydrophobicContact CG1-CB 3.82Å; I259-H261 PolarHBondContact O-N 3.1Å
262T91.5Very high94.4Very high93 Ų9353 Ų5357%0.57129%0.294SS*.THydrogen-bonded Turntrans-81.5-28.6-170.949.80000113.4S264T262-S264 VanDerWaalsContact C-N 3.29Å; T262-S264 PolarHBondContact O-N 3.28Å
263C91.2Very high94.1Very high11 Ų1156.7 Ų56.77%0.07432%0.32CS..THydrogen-bonded Turntrans-9432.5-178.1-60.70000113E84 D265 K266E84-C263 PolarHBondContact O-SG 2.77Å; E84-C263 VanDerWaalsContact O-SG 3.41Å; C263-D265 VanDerWaalsContact C-OD1 3.3Å; C263-D265 WeakPolarHBondContact CA-OD1 3.42Å; C263-D265 PolarHBondContact O-N 3.2Å; C263-K266 HydrophobicContact CB-CD 4.21Å; C263-K266 HydrophobicContact CB-CG 4.5Å; C263-K266 PolarHBondContact O-N 3.09Å
264S87Confident94.1Very high37 Ų3756.2 Ų56.226%0.25932%0.317SS..G310 helixtrans-70.6-22.2-179.760.20000113.5N123 T262 K266 I267N123-S264 PolarHBondContact ND2-OG 3.25Å; T262-S264 VanDerWaalsContact C-N 3.29Å; T262-S264 PolarHBondContact O-N 3.28Å; S264-K266 PolarHBondContact O-N 3.47Å; S264-I267 WeakPolarHBondContact O-CB 3.36Å; S264-I267 WeakPolarHBondContact O-CD1 3.25Å; S264-I267 WeakPolarHBondContact O-CG1 3.2Å; S264-I267 PolarHBondContact O-N 2.97Å
265D90.6Very high94Very high128 Ų12859.1 Ų59.168%0.68433%0.333SS*.G310 helixtrans-66.5-21.9172.661.5-47.8000113.1C263C263-D265 VanDerWaalsContact C-OD1 3.3Å; C263-D265 WeakPolarHBondContact CA-OD1 3.42Å; C263-D265 PolarHBondContact O-N 3.2Å
266K91.9Very high94Very high90 Ų9060.3 Ų60.339%0.39134%0.337SS..G310 helixtrans-87.9-1.6178.3-57.3-175.3-173.2177.80113.6E84 P86 C263 S264 T268E84-K266 PolarHBondContact O-NZ 3.47Å; P86-K266 HydrophobicContact CG-CB 3.87Å; C263-K266 HydrophobicContact CB-CD 4.21Å; C263-K266 HydrophobicContact CB-CG 4.5Å; C263-K266 PolarHBondContact O-N 3.09Å; S264-K266 PolarHBondContact O-N 3.47Å; K266-T268 PolarHBondContact O-N 3.24Å
267I93.4Very high93.9Very high31 Ų3168.1 Ų68.116%0.15937%0.373CS..  trans-70.2119.3178.9-66.5162.5000109.1P86 P125 S264 V269 L270P86-I267 HydrophobicContact CB-CG1 3.84Å; P86-I267 HydrophobicContact CG-CG1 4.14Å; P125-I267 HydrophobicContact CG-CD1 3.52Å; P125-I267 HydrophobicContact CG-CG1 4.25Å; P125-I267 HydrophobicContact CG-CG2 4.15Å; S264-I267 WeakPolarHBondContact O-CB 3.36Å; S264-I267 WeakPolarHBondContact O-CD1 3.25Å; S264-I267 WeakPolarHBondContact O-CG1 3.2Å; S264-I267 PolarHBondContact O-N 2.97Å; I267-V269 WeakPolarHBondContact CG2-O 3.16Å; I267-L270 HydrophobicContact CG2-CD2 3.77Å; I267-L270 HydrophobicContact CG2-CG 4.16Å
268T90.4Very high93.8Very high122 Ų12270 Ų7075%0.74839%0.387SS*.  trans-99.5-23.2177.953.90000113.2K266K266-T268 PolarHBondContact O-N 3.24Å
269V92.1Very high93.5Very high40 Ų4071.1 Ų71.124%0.24239%0.393CS..  trans-123.8118.9-178.3-178.20000109.3L182 L183 I267L182-V269 HydrophobicContact CD2-CG1 4.38Å; L183-V269 HydrophobicContact CD2-CB 3.62Å; L183-V269 HydrophobicContact CD2-CG1 3.74Å; L183-V269 HydrophobicContact CD2-CG2 4.31Å; I267-V269 WeakPolarHBondContact CG2-O 3.16Å
270L94Very high93.3Very high132 Ų13272.2 Ų72.269%0.69140%0.398SS*.  trans-105.2139.1175.5-72169.8000110.5P125 I267P125-L270 HydrophobicContact CG-CD2 4.24Å; I267-L270 HydrophobicContact CG2-CD2 3.77Å; I267-L270 HydrophobicContact CG2-CG 4.16Å
271P94.8Very high93.1Very high29 Ų2970 Ų7019%0.18840%0.398CS..PPolyproline II helixtrans-67.4150.2171.526.4-31000110.7P125 F126P125-P271 HydrophobicContact CB-CG 3.98Å; F126-P271 VanDerWaalsContact O-CB 3.3Å; F126-P271 WeakPolarHBondContact O-CB 3.38Å; F126-P271 WeakPolarHBondContact O-CG 3.3Å
272P92.6Very high92.7Very high105 Ų10574.5 Ų74.568%0.68242%0.422SS*.PPolyproline II helixtrans-64.3152167.129.7-34.2000110.4V274P272-V274 PolarHBondContact O-N 3.25Å
273P91.1Very high92.5Very high119 Ų11970.7 Ų70.777%0.77340%0.398SS*.PPolyproline II helixtrans-56134.9171-22.833000111.1
274V95.7Very high91.9Very high27 Ų2775.8 Ų75.816%0.16443%0.428CS..PPolyproline II helixtrans-83.7121.8177.5-176.20000109.7L128 P272 W276 I279L128-V274 HydrophobicContact CB-CG2 3.86Å; L128-V274 HydrophobicContact CD2-CG1 3.53Å; L128-V274 HydrophobicContact CD2-CG2 4.39Å; P272-V274 PolarHBondContact O-N 3.25Å; V274-W276 HydrophobicContact CB-CD2 4.38Å; V274-W276 HydrophobicContact CB-CZ2 4.21Å; V274-W276 HydrophobicContact CG1-CD2 3.51Å; V274-W276 VanDerWaalsContact CG1-CE2 3.49Å; V274-W276 HydrophobicContact CG1-CE3 3.75Å; V274-W276 HydrophobicContact CG1-CG 4.04Å; V274-W276 HydrophobicContact CG1-CH2 4.05Å; V274-W276 HydrophobicContact CG1-CZ2 3.79Å; V274-W276 HydrophobicContact CG1-CZ3 4.03Å; V274-W276 HydrophobicContact CG2-CZ2 4.46Å; V274-W276 PolarHBondContact O-N 2.88Å; V274-I279 HydrophobicContact CG1-CG1 4.4Å
275N96.6Very high91.7Very high98 Ų9874.9 Ų74.952%0.52442%0.424SS..  trans-89.787.6169.7-174-17.9000110.1E277 S278 I279N275-E277 VanDerWaalsContact C-N 3.26Å; N275-E277 PolarHBondContact O-N 3.25Å; N275-E277 PolarHBondContact OD1-N 2.83Å; N275-S278 WeakPolarHBondContact O-CB 3.17Å; N275-S278 PolarHBondContact O-N 3.15Å; N275-S278 VanDerWaalsContact O-N 3.17Å; N275-S278 PolarHBondContact OD1-N 3.43Å; N275-S278 VanDerWaalsContact OD1-N 3.09Å; N275-I279 WeakPolarHBondContact O-CG1 3.29Å; N275-I279 PolarHBondContact O-N 3.1Å
276W96.7Very high91.5Very high26 Ų2670.3 Ų70.310%0.09840%0.4CS..Hα-helixtrans-62.3-29.2-178-64.3111000114I109 L112 T113 E116 F126 L128 V274 I279 L280I109-W276 HydrophobicContact CD1-CE3 4.15Å; I109-W276 HydrophobicContact CD1-CZ3 3.82Å; I109-W276 HydrophobicContact CG2-CB 4.32Å; I109-W276 HydrophobicContact CG2-CD2 4.23Å; I109-W276 HydrophobicContact CG2-CE3 3.48Å; I109-W276 VanDerWaalsContact CG2-CE3 3.48Å; I109-W276 HydrophobicContact CG2-CZ3 4.11Å; L112-W276 HydrophobicContact CB-CH2 3.47Å; L112-W276 VanDerWaalsContact CB-CH2 3.47Å; L112-W276 HydrophobicContact CB-CZ2 4.09Å; L112-W276 HydrophobicContact CB-CZ3 3.95Å; L112-W276 HydrophobicContact CD1-CH2 4.39Å; L112-W276 HydrophobicContact CD1-CZ3 4.46Å; L112-W276 WeakPolarHBondContact O-CZ2 3.35Å; T113-W276 HydrophobicContact CG2-CG 4.22Å; T113-W276 VanDerWaalsContact OG1-CG 3.27Å; E116-W276 HydrophobicContact CB-CZ2 3.91Å; E116-W276 HydrophobicContact CG-CZ2 4.32Å; F126-W276 HydrophobicContact CE1-CH2 4.01Å; F126-W276 HydrophobicContact CE1-CZ2 4.01Å; F126-W276 HydrophobicContact CZ-CH2 4.43Å; L128-W276 HydrophobicContact CD1-CH2 4.09Å; L128-W276 HydrophobicContact CD1-CZ3 4.26Å; L128-W276 HydrophobicContact CD2-CH2 4.19Å; L128-W276 HydrophobicContact CD2-CZ3 3.94Å; V274-W276 HydrophobicContact CB-CD2 4.38Å; V274-W276 HydrophobicContact CB-CZ2 4.21Å; V274-W276 HydrophobicContact CG1-CD2 3.51Å; V274-W276 VanDerWaalsContact CG1-CE2 3.49Å; V274-W276 HydrophobicContact CG1-CE3 3.75Å; V274-W276 HydrophobicContact CG1-CG 4.04Å; V274-W276 HydrophobicContact CG1-CH2 4.05Å; V274-W276 HydrophobicContact CG1-CZ2 3.79Å; V274-W276 HydrophobicContact CG1-CZ3 4.03Å; V274-W276 HydrophobicContact CG2-CZ2 4.46Å; V274-W276 PolarHBondContact O-N 2.88Å; W276-I279 PolarHBondContact O-N 3.23Å; W276-L280 WeakPolarHBondContact O-CB 3.4Å; W276-L280 PolarHBondContact O-N 2.84Å
277E95.9Very high91.4Very high163 Ų16371 Ų7176%0.76240%0.403SS*.Hα-helixtrans-65.5-43.9174.7-66.1-180-177.600111N275 L280 S281N275-E277 VanDerWaalsContact C-N 3.26Å; N275-E277 PolarHBondContact O-N 3.25Å; N275-E277 PolarHBondContact OD1-N 2.83Å; E277-L280 PolarHBondContact O-N 2.96Å; E277-S281 PolarHBondContact O-N 3.47Å; E277-S281 PolarHBondContact O-OG 2.88Å
278S95.2Very high91.3Very high45 Ų4573.1 Ų73.132%0.31542%0.42SS..Hα-helixtrans-63.2-47174.2-164.10000111.2N275 L280 S281 D282N275-S278 WeakPolarHBondContact O-CB 3.17Å; N275-S278 PolarHBondContact O-N 3.15Å; N275-S278 VanDerWaalsContact O-N 3.17Å; N275-S278 PolarHBondContact OD1-N 3.43Å; N275-S278 VanDerWaalsContact OD1-N 3.09Å; S278-L280 PolarHBondContact O-N 3.31Å; S278-S281 WeakPolarHBondContact CA-OG 3.47Å; S278-S281 PolarHBondContact O-N 2.88Å; S278-S281 VanDerWaalsContact O-N 3.1Å; S278-S281 PolarHBondContact O-OG 3.18Å; S278-D282 VanDerWaalsContact O-CB 3.27Å; S278-D282 WeakPolarHBondContact O-CB 3.14Å; S278-D282 PolarHBondContact O-N 3.28Å; S278-D282 VanDerWaalsContact O-OD2 3.06Å; S278-D282 PolarHBondContact OG-OD2 2.96Å
279I93.5Very high91.5Very high29 Ų2967.5 Ų67.515%0.14939%0.386CS..Hα-helixtrans-56.7-39.9177.9-63.2-62.1000111L93 F105 I109 L128 I130 V274 N275 W276L93-I279 HydrophobicContact CD1-CG2 3.85Å; F105-I279 HydrophobicContact CE1-CG2 4.27Å; F105-I279 WeakPolarHBondContact CE1-O 3.31Å; F105-I279 HydrophobicContact CZ-CG2 3.83Å; I109-I279 HydrophobicContact CD1-CG2 3.69Å; I109-I279 HydrophobicContact CG1-CG2 4.32Å; L128-I279 HydrophobicContact CD2-CD1 4.04Å; L128-I279 HydrophobicContact CD2-CG1 4.02Å; I130-I279 HydrophobicContact CD1-CD1 3.73Å; V274-I279 HydrophobicContact CG1-CG1 4.4Å; N275-I279 WeakPolarHBondContact O-CG1 3.29Å; N275-I279 PolarHBondContact O-N 3.1Å; W276-I279 PolarHBondContact O-N 3.23Å
280L92.8Very high91.6Very high67 Ų6771.5 Ų71.535%0.35140%0.4SS..Hα-helixtrans-69.8-42.2176.1-174.459.7000113L102 F105 A106 W276 E277 S278 D282 Y283L102-L280 HydrophobicContact CD1-CD1 3.94Å; F105-L280 HydrophobicContact CD1-CD1 3.9Å; F105-L280 HydrophobicContact CE1-CD1 4.28Å; A106-L280 HydrophobicContact CB-CD1 3.99Å; W276-L280 WeakPolarHBondContact O-CB 3.4Å; W276-L280 PolarHBondContact O-N 2.84Å; E277-L280 PolarHBondContact O-N 2.96Å; S278-L280 PolarHBondContact O-N 3.31Å; L280-D282 VanDerWaalsContact C-N 3.31Å; L280-D282 PolarHBondContact O-N 3.37Å; L280-Y283 WeakPolarHBondContact O-CB 3.4Å; L280-Y283 PolarHBondContact O-N 3.09Å
281S91.8Very high91.8Very high73 Ų7368.3 Ų68.351%0.5139%0.387SS..Hα-helixtrans-66.3-35.3178.962.90000112.8E277 S278 Y283E277-S281 PolarHBondContact O-N 3.47Å; E277-S281 PolarHBondContact O-OG 2.88Å; S278-S281 WeakPolarHBondContact CA-OG 3.47Å; S278-S281 PolarHBondContact O-N 2.88Å; S278-S281 VanDerWaalsContact O-N 3.1Å; S278-S281 PolarHBondContact O-OG 3.18Å; S281-Y283 PolarHBondContact O-N 3.4Å
282D88.5Confident91.8Very high99 Ų9968.1 Ų68.153%0.52939%0.385SS..THydrogen-bonded Turntrans-82.82.7-175.1-58.8-19.7000112.3S278 L280 V284S278-D282 VanDerWaalsContact O-CB 3.27Å; S278-D282 WeakPolarHBondContact O-CB 3.14Å; S278-D282 PolarHBondContact O-N 3.28Å; S278-D282 VanDerWaalsContact O-OD2 3.06Å; S278-D282 PolarHBondContact OG-OD2 2.96Å; L280-D282 VanDerWaalsContact C-N 3.31Å; L280-D282 PolarHBondContact O-N 3.37Å; D282-V284 WeakPolarHBondContact O-CG1 3.3Å; D282-V284 PolarHBondContact O-N 3.06Å
283Y86.7Confident92Very high14 Ų1469.1 Ų69.16%0.05539%0.385CS..  trans-54.8123.2174.1-178.1-109.2000111A99 D100 T101 L102 F105 L280 S281 G285 D286 K287A99-Y283 PolarHBondContact O-OH 2.7Å; A99-Y283 VanDerWaalsContact O-OH 3.05Å; D100-Y283 PolarHBondContact O-OH 3.44Å; T101-Y283 WeakPolarHBondContact CA-OH 3.39Å; T101-Y283 PolarHBondContact N-OH 3.04Å; T101-Y283 VanDerWaalsContact N-OH 3.15Å; T101-Y283 PolarHBondContact O-OH 3.14Å; L102-Y283 HydrophobicContact CB-CD1 4.03Å; L102-Y283 HydrophobicContact CB-CE1 3.86Å; L102-Y283 HydrophobicContact CD1-CD1 3.82Å; L102-Y283 HydrophobicContact CD1-CE1 4.45Å; L102-Y283 HydrophobicContact CD1-CG 4.27Å; L102-Y283 PolarHBondContact N-OH 3.26Å; F105-Y283 HydrophobicContact CB-CD2 3.85Å; F105-Y283 HydrophobicContact CB-CE2 3.62Å; F105-Y283 HydrophobicContact CB-CG 4.47Å; F105-Y283 AromaticContact CD1-CD2 3.37Å; F105-Y283 HydrophobicContact CD1-CD2 3.37Å; F105-Y283 HydrophobicContact CD1-CE2 4.06Å; F105-Y283 AromaticContact CD1-CG 3.76Å; F105-Y283 HydrophobicContact CD1-CG 3.76Å; F105-Y283 AromaticContact CD2-CD2 3.61Å; F105-Y283 HydrophobicContact CD2-CD2 3.61Å; F105-Y283 AromaticContact CD2-CE2 3.68Å; F105-Y283 HydrophobicContact CD2-CE2 3.68Å; F105-Y283 AromaticContact CE1-CD2 3.7Å; F105-Y283 HydrophobicContact CE1-CD2 3.7Å; F105-Y283 HydrophobicContact CE1-CG 4.12Å; F105-Y283 AromaticContact CE2-CD2 3.94Å; F105-Y283 HydrophobicContact CE2-CD2 3.94Å; F105-Y283 HydrophobicContact CE2-CE2 4.33Å; F105-Y283 AromaticContact CG-CD2 3.31Å; F105-Y283 HydrophobicContact CG-CD2 3.31Å; F105-Y283 AromaticContact CG-CE2 3.51Å; F105-Y283 HydrophobicContact CG-CE2 3.51Å; F105-Y283 HydrophobicContact CG-CG 4.09Å; F105-Y283 AromaticContact CZ-CD2 3.97Å; F105-Y283 HydrophobicContact CZ-CD2 3.97Å; L280-Y283 WeakPolarHBondContact O-CB 3.4Å; L280-Y283 PolarHBondContact O-N 3.09Å; S281-Y283 PolarHBondContact O-N 3.4Å; Y283-G285 VanDerWaalsContact CZ-CA 3.43Å; Y283-G285 WeakPolarHBondContact OH-CA 3.2Å; Y283-D286 PolarHBondContact OH-N 2.81Å; Y283-K287 HydrophobicContact CD1-CG 4.15Å; Y283-K287 HydrophobicContact CE1-CG 4.46Å; Y283-K287 WeakPolarHBondContact O-CE 3Å; Y283-K287 PolarHBondContact O-NZ 2.91Å
284V79.8Confident92.2Very high117 Ų11767.8 Ų67.871%0.70937%0.365SS*.  trans-104.4-5.7-177.7-650000114.2D282D282-V284 WeakPolarHBondContact O-CG1 3.3Å; D282-V284 PolarHBondContact O-N 3.06Å
285G81.1Confident92.3Very high18 Ų1866.9 Ų66.919%0.18636%0.36CS..SBendtrans-77.7-158.8-178.800000113.9Y283 K287Y283-G285 VanDerWaalsContact CZ-CA 3.43Å; Y283-G285 WeakPolarHBondContact OH-CA 3.2Å; G285-K287 PolarHBondContact O-N 2.99Å
286D87Confident92.4Very high32 Ų3266.9 Ų66.917%0.17136%0.363CS..BIsolated β-bridgetrans-70.5105.3-173.9-179.912.1000112.8D100 T101 L102 Y283 S288 R472D100-D286 PolarHBondContact O-N 3.12Å; T101-D286 CarbonylContact C-O 3.54Å; T101-D286 VanDerWaalsContact CA-O 3.32Å; T101-D286 WeakPolarHBondContact CA-O 3.36Å; T101-D286 WeakPolarHBondContact CB-O 3.37Å; T101-D286 HydrophobicContact CG2-CB 4.06Å; L102-D286 PolarHBondContact N-O 3.39Å; Y283-D286 PolarHBondContact OH-N 2.81Å; D286-S288 VanDerWaalsContact CG-OG 3.27Å; D286-S288 WeakPolarHBondContact OD1-CA 3.23Å; D286-S288 WeakPolarHBondContact OD1-CB 3.41Å; D286-S288 PolarHBondContact OD1-N 3.36Å; D286-S288 PolarHBondContact OD1-OG 2.93Å; D286-S288 PolarHBondContact OD2-OG 3.24Å; D286-R472 IonicContact OD1-NH2 3.37Å; D286-R472 IonicContact OD2-CZ 2.87Å; D286-R472 IonicContact OD2-NE 3.82Å; D286-R472 IonicContact OD2-NH1 3.61Å; D286-R472 PolarHBondContact OD2-NH1 2.86Å; D286-R472 IonicContact OD2-NH2 2.87Å; D286-R472 PolarHBondContact OD2-NH2 2.94Å
287K90.9Very high92.5Very high105 Ų10567.2 Ų67.246%0.45737%0.369SS..  trans-85.8-2.8176.5-62.2-176.9-176.2-177.20113.9Y283 G285 V289 K290Y283-K287 HydrophobicContact CD1-CG 4.15Å; Y283-K287 HydrophobicContact CE1-CG 4.46Å; Y283-K287 WeakPolarHBondContact O-CE 3Å; Y283-K287 PolarHBondContact O-NZ 2.91Å; G285-K287 PolarHBondContact O-N 2.99Å; K287-V289 VanDerWaalsContact C-N 3.33Å; K287-K290 WeakPolarHBondContact O-CE 3.35Å; K287-K290 PolarHBondContact O-NZ 3.44Å
288S91.2Very high92.7Very high75 Ų7559.5 Ų59.552%0.52433%0.333SS..SBendtrans-70.8-31.5179.371.90000111.8D286 K290 R472D286-S288 VanDerWaalsContact CG-OG 3.27Å; D286-S288 WeakPolarHBondContact OD1-CA 3.23Å; D286-S288 WeakPolarHBondContact OD1-CB 3.41Å; D286-S288 PolarHBondContact OD1-N 3.36Å; D286-S288 PolarHBondContact OD1-OG 2.93Å; D286-S288 PolarHBondContact OD2-OG 3.24Å; S288-K290 PolarHBondContact O-N 3.42Å; S288-R472 PolarHBondContact OG-NH2 3.13Å
289V93.9Very high92.8Very high4 Ų458 Ų582%0.02432%0.322CS..SBendtrans-91.8105.4176.5-175.10000109.9T101 R103 K287 R472 Y473T101-V289 HydrophobicContact CG2-CB 3.9Å; T101-V289 HydrophobicContact CG2-CG1 4.44Å; T101-V289 HydrophobicContact CG2-CG2 3.88Å; T101-V289 WeakPolarHBondContact OG1-CB 3.31Å; T101-V289 WeakPolarHBondContact OG1-CG1 3.26Å; R103-V289 HydrophobicContact CB-CG1 3.94Å; R103-V289 VanDerWaalsContact CZ-CG1 3.42Å; R103-V289 PolarHBondContact N-O 3.01Å; K287-V289 VanDerWaalsContact C-N 3.33Å; V289-R472 HydrophobicContact CG2-CG 4.18Å; V289-Y473 HydrophobicContact CG1-CD1 3.99Å; V289-Y473 HydrophobicContact CG2-CD1 3.77Å; V289-Y473 HydrophobicContact CG2-CE1 3.58Å
290K94.7Very high93Very high124 Ų12461.8 Ų61.854%0.53934%0.339SS..PPolyproline II helixtrans-78.2150.7-173.3-56-56.3-176.8-1710113.2R103 K287 S288R103-K290 WeakPolarHBondContact CB-O 3.47Å; R103-K290 PolarHBondContact NE-O 3.42Å; R103-K290 PolarHBondContact NH2-O 3.11Å; R103-K290 VanDerWaalsContact NH2-O 3.1Å; K287-K290 WeakPolarHBondContact O-CE 3.35Å; K287-K290 PolarHBondContact O-NZ 3.44Å; S288-K290 PolarHBondContact O-N 3.42Å
291P96.4Very high93.3Very high65 Ų6559.1 Ų59.142%0.42233%0.327SS..PPolyproline II helixtrans-51152.4167.6-25.635.4000112.6L102 A106L102-P291 HydrophobicContact CD2-CG 4.46Å; L102-P291 HydrophobicContact CG-CG 4.09Å; A106-P291 HydrophobicContact CB-CB 4.21Å; A106-P291 HydrophobicContact CB-CG 3.82Å
292V96.7Very high93.6Very high25 Ų2555.6 Ų55.615%0.15230%0.302CS..PPolyproline II helixtrans-96.6155.5177.8-58.40000110.7R103 A295 L475R103-V292 HydrophobicContact CG-CG1 4.34Å; V292-A295 HydrophobicContact CG2-CB 3.75Å; V292-L475 HydrophobicContact CG2-CD1 3.63Å
293D95.4Very high94.1Very high127 Ų12751.4 Ų51.468%0.67928%0.28SS*.SBendtrans-88-26-179.255.5-5.5000113.8K436D293-K436 IonicContact OD1-NZ 3.5Å; D293-K436 PolarHBondContact OD1-NZ 3.07Å; D293-K436 IonicContact OD2-NZ 3.5Å
294W96.6Very high94.6Very high91 Ų9154.4 Ų54.435%0.34529%0.294SS..SBendtrans-89.8-15.5-16968.6-90.4000114.6P334 W335 K436 K438 L475W294-P334 HydrophobicContact CH2-CG 3.93Å; W294-W335 HydrophobicContact CH2-CZ3 4.5Å; W294-W335 AromaticContact CZ3-CH2 3.89Å; W294-W335 HydrophobicContact CZ3-CH2 3.89Å; W294-W335 HydrophobicContact CZ3-CZ3 4.03Å; W294-K436 PolarHBondContact NE1-O 2.92Å; W294-K438 HydrophobicContact CH2-CB 4.31Å; W294-K438 HydrophobicContact CH2-CD 3.58Å; W294-K438 HydrophobicContact CZ2-CB 3.81Å; W294-K438 HydrophobicContact CZ2-CD 3.96Å; W294-L475 HydrophobicContact CZ2-CD1 4.15Å
295A97.9Very high95.5Very high8 Ų850 Ų507%0.06627%0.268CS..  trans-115.399.8-173.800000110.2F107 V292 W335 L475F107-A295 HydrophobicContact CD2-CB 4.21Å; F107-A295 HydrophobicContact CE2-CB 3.69Å; V292-A295 HydrophobicContact CG2-CB 3.75Å; A295-W335 HydrophobicContact CB-CH2 3.94Å; A295-W335 HydrophobicContact CB-CZ2 4.21Å; A295-L475 HydrophobicContact CB-CD1 4.04Å
296V98.4Very high96.3Very high97 Ų9749.2 Ų49.259%0.58826%0.259SS*.  trans-77.6123.5171.4-177.90000108.3A301 W335V296-A301 HydrophobicContact CB-CB 3.92Å; V296-A301 HydrophobicContact CG1-CB 3.95Å; V296-A301 WeakPolarHBondContact O-CB 3.21Å; V296-W335 VanDerWaalsContact O-CZ2 3.23Å; V296-W335 WeakPolarHBondContact O-CZ2 3.4Å; V296-W335 PolarHBondContact O-NE1 3.35Å
297P98.5Very high96.9Very high34 Ų3449.2 Ų49.222%0.22126%0.257CS..  trans-73162.8178.331.9-36000111.8F107F107-P297 HydrophobicContact CD1-CB 4.22Å; F107-P297 HydrophobicContact CD2-CB 3.87Å; F107-P297 HydrophobicContact CE1-CB 4.31Å; F107-P297 HydrophobicContact CE2-CB 3.94Å; F107-P297 HydrophobicContact CG-CB 4.01Å; F107-P297 HydrophobicContact CZ-CB 4.17Å; F107-P297 WeakPolarHBondContact O-CB 3.44Å
298G98.6Very high97.2Very high1 Ų147.9 Ų47.91%0.0125%0.252CS..SBendtrans115.6160175.700000114.3E114 G302 W335E114-G298 WeakPolarHBondContact OE2-CA 3.21Å; G298-G302 PolarHBondContact O-N 3.39Å; G298-W335 VanDerWaalsContact O-CD1 3.26Å
299T98.7Very high97.5Very high13 Ų1344.3 Ų44.38%0.0823%0.227CC..Hα-helixtrans-66.7-43-178.1-55.40000110.2R66 E114 G302 L303 Q340R66-T299 WeakPolarHBondContact CB-OG1 3.4Å; E114-T299 WeakPolarHBondContact OE1-CA 3.38Å; E114-T299 WeakPolarHBondContact OE1-CB 3.19Å; E114-T299 PolarHBondContact OE1-N 3.49Å; E114-T299 PolarHBondContact OE2-N 3.44Å; T299-G302 PolarHBondContact O-N 2.88Å; T299-L303 HydrophobicContact CG2-CD1 4.11Å; T299-L303 WeakPolarHBondContact O-CG 3.26Å; T299-L303 PolarHBondContact O-N 3Å; T299-Q340 VanDerWaalsContact CA-O 3.25Å; T299-Q340 WeakPolarHBondContact CA-O 3.32Å; T299-Q340 WeakPolarHBondContact CB-O 3.31Å; T299-Q340 WeakPolarHBondContact CG2-O 3.29Å; T299-Q340 PolarHBondContact OG1-O 3.25Å; T299-Q340 VanDerWaalsContact OG1-O 3.13Å
300Q97.9Very high97.7Very high109 Ų10944.1 Ų44.151%0.50923%0.226SC..Hα-helixtrans-58.2-53.1177.4-179.8170.1-18.600111.4E114 G302 L303 E304E114-Q300 PolarHBondContact OE1-N 3.39Å; Q300-G302 VanDerWaalsContact C-N 3.29Å; Q300-G302 PolarHBondContact O-N 3.02Å; Q300-L303 PolarHBondContact O-N 2.94Å; Q300-L303 VanDerWaalsContact O-N 3.12Å; Q300-E304 WeakPolarHBondContact CG-OE1 3.41Å; Q300-E304 PolarHBondContact NE2-OE1 3.49Å; Q300-E304 VanDerWaalsContact NE2-OE1 3.13Å; Q300-E304 WeakPolarHBondContact O-CG 3.5Å; Q300-E304 PolarHBondContact O-N 3.32Å
301A98.3Very high97.7Very high10 Ų1040.5 Ų40.58%0.08322%0.216CC..Hα-helixtrans-60.3-38.6178.800000112.2V296 L303 E304 V305V296-A301 HydrophobicContact CB-CB 3.92Å; V296-A301 HydrophobicContact CG1-CB 3.95Å; V296-A301 WeakPolarHBondContact O-CB 3.21Å; A301-L303 PolarHBondContact O-N 3.33Å; A301-E304 PolarHBondContact O-N 3.12Å; A301-V305 WeakPolarHBondContact O-CG2 3.46Å; A301-V305 PolarHBondContact O-N 3.2Å
302G98.7Very high97.6Very high0 Ų043.6 Ų43.60%022%0.223CC..Hα-helixtrans-61.7-40.7175.100000113.2G298 T299 Q300 V305 L306 L332G298-G302 PolarHBondContact O-N 3.39Å; T299-G302 PolarHBondContact O-N 2.88Å; Q300-G302 VanDerWaalsContact C-N 3.29Å; Q300-G302 PolarHBondContact O-N 3.02Å; G302-V305 PolarHBondContact O-N 3.28Å; G302-L306 PolarHBondContact O-N 3.32Å; G302-L306 VanDerWaalsContact O-N 3.08Å; G302-L332 WeakPolarHBondContact O-CD2 3.29Å
303L98.5Very high97.6Very high11 Ų1144.8 Ų44.86%0.05823%0.225CC..Hα-helixtrans-69.4-36.6175.4-70.9171.2000112.2W11 L12 I15 T299 Q300 A301 L306 Y307 I341 R345W11-L303 HydrophobicContact CZ3-CB 4.28Å; W11-L303 HydrophobicContact CZ3-CD2 4.45Å; W11-L303 WeakPolarHBondContact CZ3-O 3.42Å; L12-L303 HydrophobicContact CD2-CB 3.55Å; L12-L303 HydrophobicContact CD2-CD1 3.71Å; L12-L303 HydrophobicContact CD2-CG 4.23Å; I15-L303 HydrophobicContact CD1-CD2 4.05Å; T299-L303 HydrophobicContact CG2-CD1 4.11Å; T299-L303 WeakPolarHBondContact O-CG 3.26Å; T299-L303 PolarHBondContact O-N 3Å; Q300-L303 PolarHBondContact O-N 2.94Å; Q300-L303 VanDerWaalsContact O-N 3.12Å; A301-L303 PolarHBondContact O-N 3.33Å; L303-L306 HydrophobicContact CD2-CD2 4.49Å; L303-L306 WeakPolarHBondContact O-CB 3.3Å; L303-L306 PolarHBondContact O-N 3.11Å; L303-Y307 PolarHBondContact O-N 3.36Å; L303-I341 HydrophobicContact CD2-CD1 3.83Å; L303-I341 HydrophobicContact CD2-CG1 4.2Å; L303-I341 HydrophobicContact CG-CD1 4.44Å; L303-R345 HydrophobicContact CD2-CG 3.96Å
304E98.1Very high97.8Very high77 Ų7738.7 Ų38.736%0.3619%0.193SC..Hα-helixtrans-62.6-41.9173.9-68.7174-174.700111.6V8 Q300 A301 L306 Y307 E308V8-E304 HydrophobicContact CG2-CB 4.32Å; V8-E304 HydrophobicContact CG2-CG 3.83Å; Q300-E304 WeakPolarHBondContact CG-OE1 3.41Å; Q300-E304 PolarHBondContact NE2-OE1 3.49Å; Q300-E304 VanDerWaalsContact NE2-OE1 3.13Å; Q300-E304 WeakPolarHBondContact O-CG 3.5Å; Q300-E304 PolarHBondContact O-N 3.32Å; A301-E304 PolarHBondContact O-N 3.12Å; E304-L306 VanDerWaalsContact C-N 3.32Å; E304-L306 PolarHBondContact O-N 2.91Å; E304-Y307 PolarHBondContact O-N 3.16Å; E304-E308 PolarHBondContact O-N 3.32Å
305V98.2Very high97.7Very high25 Ų2542.1 Ų42.115%0.15221%0.21CC..Hα-helixtrans-63.3-38.3174.4171.90000111.5A301 G302 F309 S330 L332 W335A301-V305 WeakPolarHBondContact O-CG2 3.46Å; A301-V305 PolarHBondContact O-N 3.2Å; G302-V305 PolarHBondContact O-N 3.28Å; V305-F309 WeakPolarHBondContact O-CB 3.43Å; V305-F309 PolarHBondContact O-N 3.47Å; V305-S330 WeakPolarHBondContact CG1-O 3.35Å; V305-L332 HydrophobicContact CB-CD2 4.07Å; V305-L332 HydrophobicContact CG1-CD2 3.74Å; V305-L332 HydrophobicContact CG1-CG 4.19Å; V305-W335 HydrophobicContact CB-CH2 4.5Å; V305-W335 HydrophobicContact CB-CZ3 4.47Å; V305-W335 HydrophobicContact CG1-CE3 4.49Å; V305-W335 HydrophobicContact CG1-CH2 4.47Å; V305-W335 HydrophobicContact CG1-CZ3 4.1Å; V305-W335 HydrophobicContact CG2-CH2 3.65Å; V305-W335 HydrophobicContact CG2-CZ2 3.82Å; V305-W335 HydrophobicContact CG2-CZ3 4.08Å
306L98.4Very high97.7Very high0 Ų047.5 Ų47.50%023%0.232CC..Hα-helixtrans-65.4-48174.5174.861.2000110.9W11 G302 L303 E304 E308 F309 I310 L332 I341 A346 E349W11-L306 HydrophobicContact CH2-CB 4.36Å; W11-L306 HydrophobicContact CH2-CD2 3.79Å; W11-L306 HydrophobicContact CH2-CG 3.88Å; G302-L306 PolarHBondContact O-N 3.32Å; G302-L306 VanDerWaalsContact O-N 3.08Å; L303-L306 HydrophobicContact CD2-CD2 4.49Å; L303-L306 WeakPolarHBondContact O-CB 3.3Å; L303-L306 PolarHBondContact O-N 3.11Å; E304-L306 VanDerWaalsContact C-N 3.32Å; E304-L306 PolarHBondContact O-N 2.91Å; L306-E308 VanDerWaalsContact C-N 3.32Å; L306-E308 PolarHBondContact O-N 3.46Å; L306-F309 HydrophobicContact CD1-CD1 4.45Å; L306-F309 WeakPolarHBondContact O-CB 3.23Å; L306-F309 PolarHBondContact O-N 3.43Å; L306-F309 VanDerWaalsContact O-N 3.15Å; L306-I310 HydrophobicContact CD1-CD1 3.82Å; L306-I310 HydrophobicContact CD1-CG1 4Å; L306-I310 HydrophobicContact CG-CD1 4.01Å; L306-I310 HydrophobicContact CG-CG1 4.49Å; L306-I310 WeakPolarHBondContact O-CG1 3.49Å; L306-I310 PolarHBondContact O-N 2.93Å; L306-L332 HydrophobicContact CB-CD1 4.2Å; L306-L332 HydrophobicContact CB-CD2 3.99Å; L306-L332 HydrophobicContact CD1-CD1 3.73Å; L306-I341 HydrophobicContact CB-CD1 4.12Å; L306-I341 HydrophobicContact CD2-CD1 3.78Å; L306-A346 HydrophobicContact CD1-CB 4.15Å; L306-A346 HydrophobicContact CD2-CB 4.04Å; L306-E349 HydrophobicContact CD2-CB 4.41Å; L306-E349 HydrophobicContact CD2-CG 4.43Å
307Y98.1Very high97.6Very high32 Ų3243.5 Ų43.513%0.12521%0.206CC..Hα-helixtrans-56.1-47.3175.9173.8-100.5000111.4L4 A5 E6 V8 W11 L303 E304 F309 I310 S311L4-Y307 HydrophobicContact CB-CE2 4.22Å; L4-Y307 HydrophobicContact CD2-CD2 3.85Å; L4-Y307 HydrophobicContact CD2-CE2 4Å; A5-Y307 PolarHBondContact O-OH 3.45Å; A5-Y307 VanDerWaalsContact O-OH 3.06Å; E6-Y307 PolarHBondContact O-OH 3.25Å; V8-Y307 HydrophobicContact CB-CD1 3.64Å; V8-Y307 HydrophobicContact CB-CE1 3.81Å; V8-Y307 HydrophobicContact CB-CG 4.14Å; V8-Y307 HydrophobicContact CG2-CD1 3.7Å; V8-Y307 HydrophobicContact CG2-CE1 4.39Å; V8-Y307 HydrophobicContact CG2-CG 3.84Å; W11-Y307 HydrophobicContact CB-CD2 3.74Å; W11-Y307 HydrophobicContact CB-CE2 3.86Å; W11-Y307 AromaticContact CD2-CD2 3.68Å; W11-Y307 HydrophobicContact CD2-CD2 3.68Å; W11-Y307 HydrophobicContact CD2-CG 4.4Å; W11-Y307 AromaticContact CE3-CD2 3.98Å; W11-Y307 HydrophobicContact CE3-CD2 3.98Å; W11-Y307 HydrophobicContact CE3-CG 4.25Å; W11-Y307 AromaticContact CG-CD2 3.58Å; W11-Y307 HydrophobicContact CG-CD2 3.58Å; W11-Y307 HydrophobicContact CG-CE2 4.03Å; L303-Y307 PolarHBondContact O-N 3.36Å; E304-Y307 PolarHBondContact O-N 3.16Å; Y307-F309 VanDerWaalsContact C-N 3.32Å; Y307-F309 PolarHBondContact O-N 2.93Å; Y307-I310 PolarHBondContact O-N 3.36Å; Y307-S311 WeakPolarHBondContact O-CB 3.44Å; Y307-S311 PolarHBondContact O-N 2.9Å; Y307-S311 PolarHBondContact O-OG 2.84Å
308E97.2Very high97.5Very high78 Ų7843.8 Ų43.836%0.36421%0.206SC..Hα-helixtrans-63.1-40.7177.7-174.6175.2-153.900111.6E304 L306 S311 K312E304-E308 PolarHBondContact O-N 3.32Å; L306-E308 VanDerWaalsContact C-N 3.32Å; L306-E308 PolarHBondContact O-N 3.46Å; E308-S311 WeakPolarHBondContact CA-OG 3.19Å; E308-S311 PolarHBondContact O-OG 2.88Å; E308-K312 HydrophobicContact CG-CB 4.49Å; E308-K312 HydrophobicContact CG-CD 3.75Å; E308-K312 HydrophobicContact CG-CG 4.2Å; E308-K312 WeakPolarHBondContact O-CB 2.91Å; E308-K312 PolarHBondContact O-N 3.16Å; E308-K312 IonicContact OE1-NZ 3.84Å; E308-K312 PolarHBondContact OE1-NZ 2.88Å
309F98Very high97.4Very high0 Ų047.7 Ų47.70%023%0.231CC..Iπ-helixtrans-58.7-52.7174.8169-115.6000111.1V305 L306 Y307 S311 R313 L314 F317 F364V305-F309 WeakPolarHBondContact O-CB 3.43Å; V305-F309 PolarHBondContact O-N 3.47Å; L306-F309 HydrophobicContact CD1-CD1 4.45Å; L306-F309 WeakPolarHBondContact O-CB 3.23Å; L306-F309 PolarHBondContact O-N 3.43Å; L306-F309 VanDerWaalsContact O-N 3.15Å; Y307-F309 VanDerWaalsContact C-N 3.32Å; Y307-F309 PolarHBondContact O-N 2.93Å; F309-S311 PolarHBondContact O-N 3.41Å; F309-R313 HydrophobicContact CD2-CB 3.81Å; F309-R313 HydrophobicContact CE2-CB 4.37Å; F309-R313 CarbonylContact O-C 3.53Å; F309-R313 WeakPolarHBondContact O-CA 3.4Å; F309-R313 PolarHBondContact O-N 3.39Å; F309-L314 HydrophobicContact CE1-CB 4.35Å; F309-L314 HydrophobicContact CE1-CD1 3.79Å; F309-L314 HydrophobicContact CE2-CB 4.39Å; F309-L314 HydrophobicContact CE2-CD1 4.42Å; F309-L314 HydrophobicContact CZ-CB 4.17Å; F309-L314 HydrophobicContact CZ-CD1 3.54Å; F309-L314 HydrophobicContact CZ-CG 4.45Å; F309-L314 PolarHBondContact O-N 2.86Å; F309-F317 HydrophobicContact CE2-CB 4.24Å; F309-F317 AromaticContact CE2-CD2 3.96Å; F309-F317 HydrophobicContact CE2-CD2 3.96Å; F309-F317 HydrophobicContact CE2-CG 4.18Å; F309-F317 HydrophobicContact CZ-CB 4.3Å; F309-F317 HydrophobicContact CZ-CD1 4.46Å; F309-F317 HydrophobicContact CZ-CD2 4.15Å; F309-F317 HydrophobicContact CZ-CG 4.06Å; F309-F364 HydrophobicContact CD1-CD2 4.35Å; F309-F364 HydrophobicContact CD1-CE2 4.14Å; F309-F364 HydrophobicContact CE1-CB 4.5Å; F309-F364 AromaticContact CE1-CD2 3.29Å; F309-F364 HydrophobicContact CE1-CD2 3.29Å; F309-F364 AromaticContact CE1-CE2 3.49Å; F309-F364 HydrophobicContact CE1-CE2 3.49Å; F309-F364 VanDerWaalsContact CE1-CE2 3.49Å; F309-F364 AromaticContact CE1-CG 3.86Å; F309-F364 HydrophobicContact CE1-CG 3.86Å; F309-F364 HydrophobicContact CE1-CZ 4.19Å; F309-F364 HydrophobicContact CZ-CB 4.46Å; F309-F364 AromaticContact CZ-CD2 3.54Å; F309-F364 HydrophobicContact CZ-CD2 3.54Å; F309-F364 HydrophobicContact CZ-CE2 4.08Å; F309-F364 HydrophobicContact CZ-CG 4.19Å
310I97.7Very high97.3Very high0 Ų050 Ų500%024%0.241CC..Iπ-helixtrans-63.2-47.3-177-58.8174.2000110.6L4 W11 L306 Y307 L314 E349 V350 V353 F357L4-I310 HydrophobicContact CD1-CB 4.26Å; L4-I310 HydrophobicContact CD1-CG2 3.41Å; L4-I310 VanDerWaalsContact CD1-CG2 3.41Å; L4-I310 HydrophobicContact CD2-CB 4.11Å; L4-I310 HydrophobicContact CD2-CG2 3.89Å; L4-I310 HydrophobicContact CG-CG2 4.18Å; W11-I310 HydrophobicContact CZ2-CD1 4.2Å; L306-I310 HydrophobicContact CD1-CD1 3.82Å; L306-I310 HydrophobicContact CD1-CG1 4Å; L306-I310 HydrophobicContact CG-CD1 4.01Å; L306-I310 HydrophobicContact CG-CG1 4.49Å; L306-I310 WeakPolarHBondContact O-CG1 3.49Å; L306-I310 PolarHBondContact O-N 2.93Å; Y307-I310 PolarHBondContact O-N 3.36Å; I310-L314 HydrophobicContact CG2-CD2 4Å; I310-E349 HydrophobicContact CD1-CB 3.83Å; I310-V350 HydrophobicContact CD1-CG2 4.01Å; I310-V350 HydrophobicContact CG1-CG2 4Å; I310-V353 HydrophobicContact CG2-CG1 4.46Å; I310-V353 HydrophobicContact CG2-CG2 3.68Å; I310-F357 HydrophobicContact CG2-CE2 4.23Å; I310-F357 WeakPolarHBondContact O-CZ 3.49Å
311S95.5Very high97.2Very high47 Ų4746.7 Ų46.733%0.32922%0.224SC..Iπ-helixtrans-71.4-37.2-175.357.90000113.8Y307 E308 F309Y307-S311 WeakPolarHBondContact O-CB 3.44Å; Y307-S311 PolarHBondContact O-N 2.9Å; Y307-S311 PolarHBondContact O-OG 2.84Å; E308-S311 WeakPolarHBondContact CA-OG 3.19Å; E308-S311 PolarHBondContact O-OG 2.88Å; F309-S311 PolarHBondContact O-N 3.41Å
312K95.1Very high97.1Very high130 Ų13049 Ų4957%0.56524%0.235SC*.Iπ-helixtrans-112.1-29.7-170.8-55.3-173-164.5162.90115.2E308E308-K312 HydrophobicContact CG-CB 4.49Å; E308-K312 HydrophobicContact CG-CD 3.75Å; E308-K312 HydrophobicContact CG-CG 4.2Å; E308-K312 WeakPolarHBondContact O-CB 2.91Å; E308-K312 PolarHBondContact O-N 3.16Å; E308-K312 IonicContact OE1-NZ 3.84Å; E308-K312 PolarHBondContact OE1-NZ 2.88Å
313R97Very high97Very high50 Ų5050 Ų5019%0.18924%0.24CC..Iπ-helixtrans-120-24.7-165.1-66.8-177.3-72.2168.63114.4F309 K315 K316 F317 P327 L329 S330F309-R313 HydrophobicContact CD2-CB 3.81Å; F309-R313 HydrophobicContact CE2-CB 4.37Å; F309-R313 CarbonylContact O-C 3.53Å; F309-R313 WeakPolarHBondContact O-CA 3.4Å; F309-R313 PolarHBondContact O-N 3.39Å; R313-K315 VanDerWaalsContact C-N 3.34Å; R313-K315 PolarHBondContact O-N 2.94Å; R313-K316 CarbonylContact O-C 3.55Å; R313-K316 WeakPolarHBondContact O-CA 3.44Å; R313-K316 WeakPolarHBondContact O-CB 3.19Å; R313-K316 PolarHBondContact O-N 2.85Å; R313-F317 PolarHBondContact O-N 3.45Å; R313-P327 WeakPolarHBondContact CD-O 3.09Å; R313-L329 VanDerWaalsContact CZ-O 3.29Å; R313-L329 PolarHBondContact NH1-O 2.63Å; R313-S330 PolarHBondContact NH2-O 2.86Å
314L97.7Very high96.9Very high0 Ų049.8 Ų49.80%024%0.239CC..Hα-helixtrans-57.1-44.4-175.9178.659.4000111.9F309 I310 K316 F317 V350 V353 F357 S360 F364F309-L314 HydrophobicContact CE1-CB 4.35Å; F309-L314 HydrophobicContact CE1-CD1 3.79Å; F309-L314 HydrophobicContact CE2-CB 4.39Å; F309-L314 HydrophobicContact CE2-CD1 4.42Å; F309-L314 HydrophobicContact CZ-CB 4.17Å; F309-L314 HydrophobicContact CZ-CD1 3.54Å; F309-L314 HydrophobicContact CZ-CG 4.45Å; F309-L314 PolarHBondContact O-N 2.86Å; I310-L314 HydrophobicContact CG2-CD2 4Å; L314-K316 PolarHBondContact O-N 3.13Å; L314-K316 VanDerWaalsContact O-N 3.08Å; L314-F317 HydrophobicContact CD1-CB 4.4Å; L314-F317 WeakPolarHBondContact O-CB 3.18Å; L314-F317 PolarHBondContact O-N 2.84Å; L314-V350 HydrophobicContact CD2-CG1 4.22Å; L314-V350 HydrophobicContact CD2-CG2 4.47Å; L314-V353 HydrophobicContact CD2-CG2 3.97Å; L314-F357 HydrophobicContact CB-CD1 4.32Å; L314-F357 HydrophobicContact CB-CE1 4.44Å; L314-F357 HydrophobicContact CD2-CB 3.97Å; L314-F357 HydrophobicContact CD2-CD1 4.3Å; L314-F357 HydrophobicContact CD2-CD2 3.56Å; L314-F357 HydrophobicContact CD2-CE2 4.06Å; L314-F357 HydrophobicContact CD2-CG 3.69Å; L314-F357 HydrophobicContact CG-CB 4.03Å; L314-F357 HydrophobicContact CG-CD1 4.11Å; L314-F357 HydrophobicContact CG-CD2 4.25Å; L314-F357 HydrophobicContact CG-CG 3.88Å; L314-S360 WeakPolarHBondContact O-CB 3.43Å; L314-S360 PolarHBondContact O-OG 3.45Å; L314-F364 HydrophobicContact CD1-CB 4.21Å
315K96.4Very high96.5Very high162 Ų16246.5 Ų46.570%0.70423%0.226SC*.Hα-helixtrans-53.3-35.3174.8-172.4173.1179.6176.80113.2R313 F357 S360R313-K315 VanDerWaalsContact C-N 3.34Å; R313-K315 PolarHBondContact O-N 2.94Å; K315-F357 HydrophobicContact CB-CD1 3.85Å; K315-F357 HydrophobicContact CB-CE1 3.93Å; K315-S360 PolarHBondContact O-OG 3.41Å
316K96.3Very high96.2Very high122 Ų12249.3 Ų49.353%0.5324%0.237SC..Hα-helixtrans-87.3-4.4-178.3-61.7176.4-175.8174.40112.8R313 L314 P319 H320R313-K316 CarbonylContact O-C 3.55Å; R313-K316 WeakPolarHBondContact O-CA 3.44Å; R313-K316 WeakPolarHBondContact O-CB 3.19Å; R313-K316 PolarHBondContact O-N 2.85Å; L314-K316 PolarHBondContact O-N 3.13Å; L314-K316 VanDerWaalsContact O-N 3.08Å; K316-P319 WeakPolarHBondContact O-CD 3.39Å; K316-P319 WeakPolarHBondContact O-CG 3.44Å; K316-H320 WeakPolarHBondContact O-CB 3.36Å; K316-H320 PolarHBondContact O-N 2.86Å; K316-H320 VanDerWaalsContact O-N 3.1Å
317F97.4Very high95.8Very high12 Ų1254.3 Ų54.35%0.05327%0.269CS..Hα-helixtrans-64.8-55.9-171.4-171.4-120.3000112.7F309 R313 L314 H320 R321 A328 L329 I363 F364F309-F317 HydrophobicContact CE2-CB 4.24Å; F309-F317 AromaticContact CE2-CD2 3.96Å; F309-F317 HydrophobicContact CE2-CD2 3.96Å; F309-F317 HydrophobicContact CE2-CG 4.18Å; F309-F317 HydrophobicContact CZ-CB 4.3Å; F309-F317 HydrophobicContact CZ-CD1 4.46Å; F309-F317 HydrophobicContact CZ-CD2 4.15Å; F309-F317 HydrophobicContact CZ-CG 4.06Å; R313-F317 PolarHBondContact O-N 3.45Å; L314-F317 HydrophobicContact CD1-CB 4.4Å; L314-F317 WeakPolarHBondContact O-CB 3.18Å; L314-F317 PolarHBondContact O-N 2.84Å; F317-H320 PolarHBondContact O-N 2.98Å; F317-R321 HydrophobicContact CD2-CB 4.03Å; F317-R321 HydrophobicContact CE2-CB 3.93Å; F317-R321 HydrophobicContact CZ-CB 4.42Å; F317-R321 WeakPolarHBondContact O-CA 3.13Å; F317-R321 WeakPolarHBondContact O-CB 3.31Å; F317-R321 WeakPolarHBondContact O-CG 3.19Å; F317-R321 PolarHBondContact O-N 3.41Å; F317-A328 WeakPolarHBondContact CD2-O 3.17Å; F317-L329 HydrophobicContact CD2-CD2 4.48Å; F317-L329 HydrophobicContact CE2-CD2 3.86Å; F317-I363 HydrophobicContact CD1-CB 4.46Å; F317-I363 HydrophobicContact CD1-CG2 4.18Å; F317-I363 HydrophobicContact CE1-CB 4.41Å; F317-I363 HydrophobicContact CE1-CG2 3.8Å; F317-F364 HydrophobicContact CD1-CB 4.06Å; F317-F364 HydrophobicContact CE1-CB 3.9Å; F317-F364 HydrophobicContact CE1-CD2 4.4Å
318D96.8Very high95.7Very high40 Ų4052.9 Ų52.921%0.21426%0.264CS..Hα-helixtrans-55.8-55.8177.1-179.332.5000113.1H320 R359 S360 I363D318-H320 VanDerWaalsContact C-N 3.29Å; D318-H320 PolarHBondContact O-N 3.48Å; D318-R359 HydrophobicContact CB-CG 4.47Å; D318-R359 IonicContact OD1-NE 3.74Å; D318-R359 WeakPolarHBondContact OD2-CD 3.26Å; D318-R359 VanDerWaalsContact OD2-CG 3.31Å; D318-R359 WeakPolarHBondContact OD2-CG 3Å; D318-R359 IonicContact OD2-CZ 2.75Å; D318-R359 IonicContact OD2-NE 3.66Å; D318-R359 PolarHBondContact OD2-NE 3.39Å; D318-S360 WeakPolarHBondContact CB-OG 3.37Å; D318-S360 PolarHBondContact N-OG 3.46Å; D318-S360 VanDerWaalsContact N-OG 3.14Å; D318-I363 HydrophobicContact CB-CD1 3.76Å; D318-I363 WeakPolarHBondContact OD1-CD1 3.17Å
319P96.1Very high95.7Very high83 Ų8350.2 Ų50.254%0.53925%0.252SS..Hα-helixtrans-66.7-27.9-174.424.5-34.4000113.9K316K316-P319 WeakPolarHBondContact O-CD 3.39Å; K316-P319 WeakPolarHBondContact O-CG 3.44Å
320H96.4Very high95.7Very high61 Ų6151.1 Ų51.128%0.28226%0.259SS..Hα-helixtrans-121.5-2.1-169.6-59.4-67.8000115.3K316 F317 D318 N322 D323 H326 A328K316-H320 WeakPolarHBondContact O-CB 3.36Å; K316-H320 PolarHBondContact O-N 2.86Å; K316-H320 VanDerWaalsContact O-N 3.1Å; F317-H320 PolarHBondContact O-N 2.98Å; D318-H320 VanDerWaalsContact C-N 3.29Å; D318-H320 PolarHBondContact O-N 3.48Å; H320-N322 PolarHBondContact O-N 3.48Å; H320-N322 VanDerWaalsContact O-N 3.11Å; H320-D323 PolarHBondContact O-N 3.44Å; H320-H326 HydrophobicContact CB-CB 3.88Å; H320-A328 HydrophobicContact CB-CB 3.6Å
321R96Very high95.7Very high41 Ų4151.7 Ų51.716%0.15526%0.264CS..THydrogen-bonded Turntrans-57.5-31.6179.464.8-177.4-161.6112.1-8.4112.8F317 D323 L329 E367 H440 W441F317-R321 HydrophobicContact CD2-CB 4.03Å; F317-R321 HydrophobicContact CE2-CB 3.93Å; F317-R321 HydrophobicContact CZ-CB 4.42Å; F317-R321 WeakPolarHBondContact O-CA 3.13Å; F317-R321 WeakPolarHBondContact O-CB 3.31Å; F317-R321 WeakPolarHBondContact O-CG 3.19Å; F317-R321 PolarHBondContact O-N 3.41Å; R321-D323 PolarHBondContact O-N 2.96Å; R321-L329 HydrophobicContact CB-CD2 3.82Å; R321-E367 IonicContact CZ-OE1 2.86Å; R321-E367 IonicContact NH1-OE1 3.41Å; R321-E367 PolarHBondContact NH1-OE1 3.11Å; R321-E367 IonicContact NH2-OE1 3.34Å; R321-H440 PolarHBondContact O-CE1 2.82Å; R321-H440 PolarHBondContact O-NE2 3.38Å; R321-W441 HydrophobicContact CG-CZ2 4.22Å; R321-W441 VanDerWaalsContact NH1-CH2 3.35Å; R321-W441 VanDerWaalsContact NH1-CZ2 3.26Å; R321-W441 PolarHBondContact O-NE1 3.35Å
322N95.8Very high95.9Very high59 Ų5949.4 Ų49.432%0.31625%0.248SC..THydrogen-bonded Turntrans-81-2.5-179.8-75.2-68000113.5H320 P324 W441 F442H320-N322 PolarHBondContact O-N 3.48Å; H320-N322 VanDerWaalsContact O-N 3.11Å; N322-P324 WeakPolarHBondContact O-CD 3.27Å; N322-W441 HydrophobicContact CB-CZ2 4.49Å; N322-W441 WeakPolarHBondContact OD1-CH2 3.41Å; N322-W441 WeakPolarHBondContact OD1-CZ2 3.4Å; N322-F442 HydrophobicContact CB-CD2 4.11Å; N322-F442 WeakPolarHBondContact O-CG 3.16Å
323D96.4Very high96Very high21 Ų2144.9 Ų44.911%0.11223%0.233CC..  trans-108103.7-173.6-173.9-23.2000110.6H320 R321 A325 H326 F519H320-D323 PolarHBondContact O-N 3.44Å; R321-D323 PolarHBondContact O-N 2.96Å; D323-A325 PolarHBondContact O-N 3.43Å; D323-A325 VanDerWaalsContact O-N 3.16Å; D323-A325 WeakPolarHBondContact OD1-CA 3.22Å; D323-A325 WeakPolarHBondContact OD1-CB 3.21Å; D323-A325 PolarHBondContact OD1-N 3.41Å; D323-H326 HydrophobicContact CB-CB 4.26Å; D323-H326 PolarHBondContact O-N 3.03Å; D323-H326 IonicContact OD1-ND1 3.76Å; D323-H326 PolarHBondContact OD1-ND1 2.66Å; D323-H326 IonicContact OD2-CE1 3.28Å; D323-H326 PolarHBondContact OD2-CE1 3.39Å; D323-H326 VanDerWaalsContact OD2-CE1 3.27Å; D323-H326 IonicContact OD2-CG 3.75Å; D323-H326 IonicContact OD2-ND1 2.8Å; D323-H326 PolarHBondContact OD2-ND1 3.18Å; D323-F519 HydrophobicContact CB-CB 4.21Å; D323-F519 VanDerWaalsContact CG-CB 3.43Å; D323-F519 WeakPolarHBondContact OD1-CB 3.33Å
324P95.7Very high96.1Very high5 Ų542.5 Ų42.53%0.03222%0.224CC..THydrogen-bonded Turntrans-62.7-19178-18.732.2000114.4N322 H440 F442 L443 F519 F524 R527N322-P324 WeakPolarHBondContact O-CD 3.27Å; P324-H440 HydrophobicContact CB-CB 4.16Å; P324-F442 HydrophobicContact CG-CB 4.47Å; P324-F442 HydrophobicContact CG-CD1 4.38Å; P324-L443 HydrophobicContact CB-CD1 3.69Å; P324-L443 HydrophobicContact CB-CG 4.01Å; P324-L443 HydrophobicContact CG-CD1 3.84Å; P324-L443 HydrophobicContact CG-CD2 3.85Å; P324-L443 HydrophobicContact CG-CG 3.58Å; P324-F519 HydrophobicContact CG-CD1 4.32Å; P324-F519 HydrophobicContact CG-CD2 4.23Å; P324-F519 HydrophobicContact CG-CE1 4.03Å; P324-F519 HydrophobicContact CG-CE2 3.91Å; P324-F519 HydrophobicContact CG-CG 4.44Å; P324-F519 HydrophobicContact CG-CZ 3.81Å; P324-F524 HydrophobicContact CB-CD2 3.51Å; P324-F524 HydrophobicContact CB-CE2 3.8Å; P324-F524 HydrophobicContact CB-CG 4.07Å; P324-R527 PolarHBondContact O-NH1 3.29Å
325A91.3Very high96.2Very high9 Ų942.7 Ų42.77%0.07422%0.224CC..THydrogen-bonded Turntrans-77.5-11.2173.800000112D323 T523 R527D323-A325 PolarHBondContact O-N 3.43Å; D323-A325 VanDerWaalsContact O-N 3.16Å; D323-A325 WeakPolarHBondContact OD1-CA 3.22Å; D323-A325 WeakPolarHBondContact OD1-CB 3.21Å; D323-A325 PolarHBondContact OD1-N 3.41Å; A325-T523 HydrophobicContact CB-CG2 4.23Å; A325-R527 VanDerWaalsContact O-CZ 3.31Å; A325-R527 PolarHBondContact O-NH1 3.29Å; A325-R527 VanDerWaalsContact O-NH1 3.14Å; A325-R527 PolarHBondContact O-NH2 2.81Å
326H91.6Very high96.3Very high84 Ų8436 Ų3639%0.38920%0.196SC..SBendtrans-112.7127-180-73.183.8000112.3H320 D323 A328H320-H326 HydrophobicContact CB-CB 3.88Å; D323-H326 HydrophobicContact CB-CB 4.26Å; D323-H326 PolarHBondContact O-N 3.03Å; D323-H326 IonicContact OD1-ND1 3.76Å; D323-H326 PolarHBondContact OD1-ND1 2.66Å; D323-H326 IonicContact OD2-CE1 3.28Å; D323-H326 PolarHBondContact OD2-CE1 3.39Å; D323-H326 VanDerWaalsContact OD2-CE1 3.27Å; D323-H326 IonicContact OD2-CG 3.75Å; D323-H326 IonicContact OD2-ND1 2.8Å; D323-H326 PolarHBondContact OD2-ND1 3.18Å; H326-A328 PolarHBondContact O-N 2.79Å
327P90.1Very high96.4Very high104 Ų10430.4 Ų30.468%0.67517%0.172SC*.  trans-78.766.8179.933.5-36.1000111.4R313R313-P327 WeakPolarHBondContact CD-O 3.09Å
328A96Very high96.4Very high2 Ų229.9 Ų29.92%0.01717%0.17CC..  trans-98.8-21.1-17400000114.4F317 H320 H326F317-A328 WeakPolarHBondContact CD2-O 3.17Å; H320-A328 HydrophobicContact CB-CB 3.6Å; H326-A328 PolarHBondContact O-N 2.79Å
329L97.5Very high96.5Very high22 Ų2228 Ų2812%0.11516%0.16CC..SBendtrans-69158.8-177.4-50-177.7000112.1R313 F317 R321 G331 W441R313-L329 VanDerWaalsContact CZ-O 3.29Å; R313-L329 PolarHBondContact NH1-O 2.63Å; F317-L329 HydrophobicContact CD2-CD2 4.48Å; F317-L329 HydrophobicContact CE2-CD2 3.86Å; R321-L329 HydrophobicContact CB-CD2 3.82Å; L329-G331 VanDerWaalsContact C-N 3.32Å; L329-G331 PolarHBondContact O-N 2.53Å; L329-W441 VanDerWaalsContact CD2-CD1 3.47Å
330S98Very high96.6Very high20 Ų2024 Ų2414%0.1413%0.134CC..  trans-62.6-38175.565.30000113.4V305 R313 L332V305-S330 WeakPolarHBondContact CG1-O 3.35Å; R313-S330 PolarHBondContact NH2-O 2.86Å; S330-L332 PolarHBondContact OG-N 3.11Å
331G97.2Very high96.7Very high11 Ų1121.2 Ų21.211%0.11312%0.121CC..  trans83-4.6-173.400000114L329 S333 P334 W335L329-G331 VanDerWaalsContact C-N 3.32Å; L329-G331 PolarHBondContact O-N 2.53Å; G331-S333 VanDerWaalsContact C-N 3.3Å; G331-S333 PolarHBondContact O-N 3.44Å; G331-P334 WeakPolarHBondContact O-CD 3.42Å; G331-W335 WeakPolarHBondContact O-CZ3 3.17Å
332L98.4Very high96.8Very high0 Ų019.3 Ų19.30%011%0.114CC..  trans-70-11.9-167.8-72.4167.2000116.7G302 V305 L306 S330 P334 W335 L336 I341 F364G302-L332 WeakPolarHBondContact O-CD2 3.29Å; V305-L332 HydrophobicContact CB-CD2 4.07Å; V305-L332 HydrophobicContact CG1-CD2 3.74Å; V305-L332 HydrophobicContact CG1-CG 4.19Å; L306-L332 HydrophobicContact CB-CD1 4.2Å; L306-L332 HydrophobicContact CB-CD2 3.99Å; L306-L332 HydrophobicContact CD1-CD1 3.73Å; S330-L332 PolarHBondContact OG-N 3.11Å; L332-P334 VanDerWaalsContact C-CD 3.44Å; L332-W335 PolarHBondContact O-N 2.85Å; L332-W335 VanDerWaalsContact O-N 3.1Å; L332-L336 HydrophobicContact CB-CD1 3.86Å; L332-L336 HydrophobicContact CB-CG 4.16Å; L332-L336 WeakPolarHBondContact O-CG 3.39Å; L332-L336 PolarHBondContact O-N 3.2Å; L332-I341 HydrophobicContact CD2-CD1 4.36Å; L332-F364 HydrophobicContact CD1-CE2 4.49Å; L332-F364 HydrophobicContact CD1-CZ 4.3Å
333S98.5Very high97Very high34 Ų3416.6 Ų16.624%0.23810%0.1CC..Hα-helixtrans-58.6-33-169.3520000115.7G331 L336 H337 K438 D476G331-S333 VanDerWaalsContact C-N 3.3Å; G331-S333 PolarHBondContact O-N 3.44Å; S333-L336 PolarHBondContact O-N 3.25Å; S333-H337 WeakPolarHBondContact O-CB 3.29Å; S333-H337 PolarHBondContact O-N 3.27Å; S333-K438 WeakPolarHBondContact OG-CE 3.4Å; S333-D476 WeakPolarHBondContact CB-OD2 3.39Å; S333-D476 PolarHBondContact OG-OD2 2.95Å
334P98.5Very high97.1Very high0 Ų015.8 Ų15.80%010%0.095CC..Hα-helixtrans-59.8-49.2171.5-26.737.8000113.1F107 W294 G331 L332 L336 H337 F338 K438 L475F107-P334 HydrophobicContact CE1-CB 4.01Å; F107-P334 HydrophobicContact CE2-CB 4.38Å; F107-P334 HydrophobicContact CZ-CB 3.79Å; W294-P334 HydrophobicContact CH2-CG 3.93Å; G331-P334 WeakPolarHBondContact O-CD 3.42Å; L332-P334 VanDerWaalsContact C-CD 3.44Å; P334-L336 VanDerWaalsContact C-N 3.35Å; P334-L336 PolarHBondContact O-N 2.94Å; P334-H337 PolarHBondContact O-N 3.27Å; P334-F338 WeakPolarHBondContact O-CD2 3.44Å; P334-F338 PolarHBondContact O-N 2.94Å; P334-F338 VanDerWaalsContact O-N 3.14Å; P334-K438 HydrophobicContact CG-CD 4.48Å; P334-L475 HydrophobicContact CB-CB 3.95Å; P334-L475 HydrophobicContact CB-CD1 4.3Å; P334-L475 HydrophobicContact CG-CB 3.91Å; P334-L475 HydrophobicContact CG-CD1 4.18Å
335W98.8Very high97.2Very high4 Ų415.5 Ų15.52%0.0159%0.094CC..Hα-helixtrans-67.6-35.5179.7-62.6-90.7000112.3F107 W294 A295 V296 G298 V305 G331 L332 G339 Q340 I341F107-W335 HydrophobicContact CE2-CZ2 4.39Å; F107-W335 AromaticContact CZ-CD1 3.97Å; F107-W335 HydrophobicContact CZ-CD2 4.09Å; F107-W335 AromaticContact CZ-CE2 3.84Å; F107-W335 HydrophobicContact CZ-CG 4.2Å; F107-W335 HydrophobicContact CZ-CZ2 4.32Å; F107-W335 AromaticContact CZ-NE1 3.76Å; W294-W335 HydrophobicContact CH2-CZ3 4.5Å; W294-W335 AromaticContact CZ3-CH2 3.89Å; W294-W335 HydrophobicContact CZ3-CH2 3.89Å; W294-W335 HydrophobicContact CZ3-CZ3 4.03Å; A295-W335 HydrophobicContact CB-CH2 3.94Å; A295-W335 HydrophobicContact CB-CZ2 4.21Å; V296-W335 VanDerWaalsContact O-CZ2 3.23Å; V296-W335 WeakPolarHBondContact O-CZ2 3.4Å; V296-W335 PolarHBondContact O-NE1 3.35Å; G298-W335 VanDerWaalsContact O-CD1 3.26Å; V305-W335 HydrophobicContact CB-CH2 4.5Å; V305-W335 HydrophobicContact CB-CZ3 4.47Å; V305-W335 HydrophobicContact CG1-CE3 4.49Å; V305-W335 HydrophobicContact CG1-CH2 4.47Å; V305-W335 HydrophobicContact CG1-CZ3 4.1Å; V305-W335 HydrophobicContact CG2-CH2 3.65Å; V305-W335 HydrophobicContact CG2-CZ2 3.82Å; V305-W335 HydrophobicContact CG2-CZ3 4.08Å; G331-W335 WeakPolarHBondContact O-CZ3 3.17Å; L332-W335 PolarHBondContact O-N 2.85Å; L332-W335 VanDerWaalsContact O-N 3.1Å; W335-G339 CarbonylContact O-C 3.35Å; W335-G339 PolarHBondContact O-N 2.79Å; W335-Q340 HydrophobicContact CB-CB 4.25Å; W335-Q340 VanDerWaalsContact CD1-OE1 3.26Å; W335-Q340 PolarHBondContact O-N 2.84Å; W335-I341 HydrophobicContact CB-CB 4.36Å; W335-I341 HydrophobicContact CB-CG2 3.59Å; W335-I341 PolarHBondContact O-N 3.34Å
336L98.7Very high97.6Very high22 Ų2215.1 Ų15.112%0.1159%0.09CC..Hα-helixtrans-66.5-43.1174-66.4167.5000110.7H221 L332 S333 P334 G339 I341 P343H221-L336 PolarHBondContact CE1-O 2.99Å; H221-L336 PolarHBondContact NE2-O 3.02Å; L332-L336 HydrophobicContact CB-CD1 3.86Å; L332-L336 HydrophobicContact CB-CG 4.16Å; L332-L336 WeakPolarHBondContact O-CG 3.39Å; L332-L336 PolarHBondContact O-N 3.2Å; S333-L336 PolarHBondContact O-N 3.25Å; P334-L336 VanDerWaalsContact C-N 3.35Å; P334-L336 PolarHBondContact O-N 2.94Å; L336-G339 PolarHBondContact O-N 2.79Å; L336-G339 VanDerWaalsContact O-N 3.09Å; L336-I341 HydrophobicContact CD2-CG2 3.66Å; L336-I341 HydrophobicContact CG-CG2 3.95Å; L336-P343 HydrophobicContact CD2-CB 4.1Å; L336-P343 HydrophobicContact CD2-CG 3.79Å
337H98.2Very high97.9Very high5 Ų511.1 Ų11.12%0.0237%0.072CC..Hα-helixtrans-60.2-51.3-178.817059.8000112.5S333 P334 G339 L475 D476 G477 T478 D479S333-H337 WeakPolarHBondContact O-CB 3.29Å; S333-H337 PolarHBondContact O-N 3.27Å; P334-H337 PolarHBondContact O-N 3.27Å; H337-G339 PolarHBondContact O-N 2.68Å; H337-L475 PolarHBondContact CD2-O 2.7Å; H337-L475 VanDerWaalsContact CD2-O 3.25Å; H337-D476 HydrophobicContact CB-CB 4.15Å; H337-G477 PolarHBondContact CE1-O 2.78Å; H337-G477 PolarHBondContact ND1-O 3.48Å; H337-G477 PolarHBondContact NE2-O 3.16Å; H337-G477 VanDerWaalsContact NE2-O 3.11Å; H337-T478 PolarHBondContact CE1-O 3.32Å; H337-D479 IonicContact CE1-OD2 3.72Å; H337-D479 IonicContact CG-OD2 2.72Å; H337-D479 IonicContact ND1-OD2 3.82Å; H337-D479 PolarHBondContact ND1-OD2 3.26Å
338F98.3Very high98.3Very high0 Ų07.4 Ų7.40%05%0.046CC..THydrogen-bonded Turntrans-76.2-0.1176.3-71.5-74.6000113.2R63 Q65 Q98 Q104 F107 M108 P334 Q340 L475R63-F338 CarbonylContact O-C 3.56Å; R63-F338 VanDerWaalsContact O-O 3.1Å; Q65-F338 WeakPolarHBondContact CB-O 3.48Å; Q65-F338 VanDerWaalsContact CG-O 3.25Å; Q65-F338 WeakPolarHBondContact CG-O 3.06Å; Q65-F338 PolarHBondContact N-O 3.29Å; Q98-F338 HydrophobicContact CB-CE1 4.46Å; Q104-F338 HydrophobicContact CB-CZ 3.98Å; Q104-F338 HydrophobicContact CG-CZ 4.41Å; F107-F338 HydrophobicContact CB-CE2 4.46Å; F107-F338 AromaticContact CD1-CD2 3.34Å; F107-F338 HydrophobicContact CD1-CD2 3.34Å; F107-F338 AromaticContact CD1-CE2 3.53Å; F107-F338 HydrophobicContact CD1-CE2 3.53Å; F107-F338 HydrophobicContact CD1-CG 4.2Å; F107-F338 AromaticContact CE1-CD2 3.65Å; F107-F338 HydrophobicContact CE1-CD2 3.65Å; F107-F338 HydrophobicContact CE1-CE2 4.22Å; F107-F338 HydrophobicContact CE1-CG 4.47Å; F107-F338 HydrophobicContact CG-CE2 4.34Å; M108-F338 HydrophobicContact CB-CD1 3.9Å; M108-F338 HydrophobicContact CB-CE1 3.64Å; M108-F338 HydrophobicContact CB-CZ 4.31Å; M108-F338 HydrophobicContact CG-CD1 3.86Å; M108-F338 HydrophobicContact CG-CE1 3.92Å; M108-F338 HydrophobicContact SD-CD1 4.42Å; M108-F338 HydrophobicContact SD-CE1 4.18Å; P334-F338 WeakPolarHBondContact O-CD2 3.44Å; P334-F338 PolarHBondContact O-N 2.94Å; P334-F338 VanDerWaalsContact O-N 3.14Å; F338-Q340 HydrophobicContact CB-CG 4Å; F338-Q340 PolarHBondContact O-N 3.41Å; F338-L475 VanDerWaalsContact CE2-O 3.29Å; F338-L475 WeakPolarHBondContact CE2-O 3.45Å
339G98.6Very high98.4Very high0 Ų07.6 Ų7.60%05%0.046CC..THydrogen-bonded Turntrans62.626.7-177.200000113.7R63 Q65 R66 W335 L336 H337R63-G339 WeakPolarHBondContact O-CA 3.43Å; Q65-G339 CarbonylContact C-O 3.42Å; Q65-G339 PolarHBondContact N-O 3.14Å; R66-G339 WeakPolarHBondContact CB-O 3.42Å; R66-G339 WeakPolarHBondContact CD-O 3.41Å; R66-G339 WeakPolarHBondContact CG-O 3.36Å; R66-G339 PolarHBondContact NH1-O 3.29Å; W335-G339 CarbonylContact O-C 3.35Å; W335-G339 PolarHBondContact O-N 2.79Å; L336-G339 PolarHBondContact O-N 2.79Å; L336-G339 VanDerWaalsContact O-N 3.09Å; H337-G339 PolarHBondContact O-N 2.68Å
340Q98.8Very high98.4Very high0 Ų06.5 Ų6.50%04%0.041CC..SBendtrans-74.3-19.5171.6-64.3173.92.600111.2F107 T299 W335 F338F107-Q340 VanDerWaalsContact CE1-OE1 3.23Å; F107-Q340 PolarHBondContact O-NE2 2.86Å; T299-Q340 VanDerWaalsContact CA-O 3.25Å; T299-Q340 WeakPolarHBondContact CA-O 3.32Å; T299-Q340 WeakPolarHBondContact CB-O 3.31Å; T299-Q340 WeakPolarHBondContact CG2-O 3.29Å; T299-Q340 PolarHBondContact OG1-O 3.25Å; T299-Q340 VanDerWaalsContact OG1-O 3.13Å; W335-Q340 HydrophobicContact CB-CB 4.25Å; W335-Q340 VanDerWaalsContact CD1-OE1 3.26Å; W335-Q340 PolarHBondContact O-N 2.84Å; F338-Q340 HydrophobicContact CB-CG 4Å; F338-Q340 PolarHBondContact O-N 3.41Å
341I98.6Very high98.4Very high2 Ų28.2 Ų8.21%0.015%0.051CC..SBendtrans-132.9137.2167.7-170.7176.8000110.3L303 L306 L332 W335 L336 P343L303-I341 HydrophobicContact CD2-CD1 3.83Å; L303-I341 HydrophobicContact CD2-CG1 4.2Å; L303-I341 HydrophobicContact CG-CD1 4.44Å; L306-I341 HydrophobicContact CB-CD1 4.12Å; L306-I341 HydrophobicContact CD2-CD1 3.78Å; L332-I341 HydrophobicContact CD2-CD1 4.36Å; W335-I341 HydrophobicContact CB-CB 4.36Å; W335-I341 HydrophobicContact CB-CG2 3.59Å; W335-I341 PolarHBondContact O-N 3.34Å; L336-I341 HydrophobicContact CD2-CG2 3.66Å; L336-I341 HydrophobicContact CG-CG2 3.95Å; I341-P343 WeakPolarHBondContact O-CD 3.48Å
342A98.8Very high98.3Very high2 Ų210.8 Ų10.82%0.0177%0.07CC..  trans-69.9128.7174.300000110.8D69 F255 Q344 R345 A346D69-A342 HydrophobicContact CB-CB 3.84Å; D69-A342 WeakPolarHBondContact O-CB 3.32Å; F255-A342 HydrophobicContact CZ-CB 4.32Å; A342-Q344 PolarHBondContact O-N 2.88Å; A342-R345 HydrophobicContact CB-CB 4Å; A342-R345 PolarHBondContact O-N 2.98Å; A342-A346 PolarHBondContact O-N 3.46Å; A342-A346 VanDerWaalsContact O-N 3.15Å
343P98.8Very high98.2Very high1 Ų111.1 Ų11.11%0.0067%0.072CC..Hα-helixtrans-54.8-36.3168.5-23.832.4000112.1H221 L336 I341 A346 V347H221-P343 WeakPolarHBondContact O-CG 3.34Å; L336-P343 HydrophobicContact CD2-CB 4.1Å; L336-P343 HydrophobicContact CD2-CG 3.79Å; I341-P343 WeakPolarHBondContact O-CD 3.48Å; P343-A346 PolarHBondContact O-N 3.28Å; P343-V347 WeakPolarHBondContact O-CG2 3.14Å; P343-V347 PolarHBondContact O-N 3.26Å
344Q98.8Very high98.1Very high4 Ų412.7 Ų12.72%0.0198%0.076CC..Hα-helixtrans-60.4-43.9174.9-176.3166.3-15.300112.9I223 F251 L252 T253 F255 A342 V347 L348I223-Q344 HydrophobicContact CD1-CB 4.48Å; I223-Q344 HydrophobicContact CG1-CB 3.59Å; I223-Q344 HydrophobicContact CG1-CG 3.94Å; F251-Q344 PolarHBondContact O-NE2 2.92Å; L252-Q344 HydrophobicContact CD1-CG 4.07Å; T253-Q344 PolarHBondContact O-NE2 3.3Å; F255-Q344 HydrophobicContact CE2-CB 3.87Å; F255-Q344 HydrophobicContact CE2-CG 3.56Å; F255-Q344 HydrophobicContact CZ-CB 3.69Å; F255-Q344 VanDerWaalsContact CZ-CD 3.41Å; F255-Q344 HydrophobicContact CZ-CG 3.65Å; A342-Q344 PolarHBondContact O-N 2.88Å; Q344-V347 PolarHBondContact O-N 2.9Å; Q344-L348 HydrophobicContact CG-CD1 4.2Å; Q344-L348 HydrophobicContact CG-CG 4.5Å; Q344-L348 VanDerWaalsContact O-CG 3.29Å; Q344-L348 WeakPolarHBondContact O-CG 3.21Å; Q344-L348 PolarHBondContact O-N 3.09Å
345R98.7Very high98Very high0 Ų022.6 Ų22.60%012%0.119CC..Hα-helixtrans-60.4-47.5174.8174.255.863.4-159.8-6.2110.5D69 D254 L303 A342 V347 L348 E349D69-R345 IonicContact OD1-CZ 3.6Å; D69-R345 IonicContact OD1-NE 3.89Å; D69-R345 IonicContact OD1-NH2 2.73Å; D69-R345 PolarHBondContact OD1-NH2 3.33Å; D69-R345 WeakPolarHBondContact OD2-CG 3.43Å; D69-R345 IonicContact OD2-CZ 2.79Å; D69-R345 IonicContact OD2-NE 3.28Å; D69-R345 PolarHBondContact OD2-NE 3.22Å; D69-R345 IonicContact OD2-NH2 3.43Å; D254-R345 IonicContact OD1-CZ 3.28Å; D254-R345 IonicContact OD1-NH1 2.76Å; D254-R345 PolarHBondContact OD1-NH1 3.46Å; D254-R345 IonicContact OD1-NH2 3.39Å; D254-R345 PolarHBondContact OD1-NH2 3.44Å; D254-R345 IonicContact OD2-NH1 2.6Å; L303-R345 HydrophobicContact CD2-CG 3.96Å; A342-R345 HydrophobicContact CB-CB 4Å; A342-R345 PolarHBondContact O-N 2.98Å; R345-V347 VanDerWaalsContact C-N 3.3Å; R345-V347 PolarHBondContact O-N 3.04Å; R345-L348 PolarHBondContact O-N 3.42Å; R345-E349 HydrophobicContact CG-CG 4.47Å; R345-E349 IonicContact CZ-OE1 2.82Å; R345-E349 IonicContact NH1-OE1 3.35Å; R345-E349 PolarHBondContact NH1-OE1 3.41Å; R345-E349 WeakPolarHBondContact O-CG 3.43Å; R345-E349 PolarHBondContact O-N 3.25Å
346A98.7Very high97.9Very high0 Ų028.5 Ų28.50%015%0.146CC..Hα-helixtrans-58.3-41.5178.500000112.8L306 A342 P343 V350 F364L306-A346 HydrophobicContact CD1-CB 4.15Å; L306-A346 HydrophobicContact CD2-CB 4.04Å; A342-A346 PolarHBondContact O-N 3.46Å; A342-A346 VanDerWaalsContact O-N 3.15Å; P343-A346 PolarHBondContact O-N 3.28Å; A346-V350 WeakPolarHBondContact O-CG2 3.27Å; A346-V350 PolarHBondContact O-N 3.13Å; A346-F364 HydrophobicContact CB-CE1 4.45Å; A346-F364 HydrophobicContact CB-CZ 4.25Å
347V98.6Very high97.8Very high0 Ų029.3 Ų29.30%015%0.149CC..Hα-helixtrans-68.2-44.3176.8172.20000111.7I223 L252 P343 Q344 R345 E349 V350 V351 I365 C368 F369I223-V347 HydrophobicContact CD1-CB 3.93Å; I223-V347 HydrophobicContact CD1-CG1 4.14Å; I223-V347 HydrophobicContact CD1-CG2 3.79Å; L252-V347 HydrophobicContact CD1-CB 4.42Å; L252-V347 HydrophobicContact CD1-CG1 3.93Å; L252-V347 HydrophobicContact CD2-CG1 4.09Å; P343-V347 WeakPolarHBondContact O-CG2 3.14Å; P343-V347 PolarHBondContact O-N 3.26Å; Q344-V347 PolarHBondContact O-N 2.9Å; R345-V347 VanDerWaalsContact C-N 3.3Å; R345-V347 PolarHBondContact O-N 3.04Å; V347-E349 VanDerWaalsContact C-N 3.32Å; V347-E349 PolarHBondContact O-N 3.17Å; V347-V350 PolarHBondContact O-N 3.3Å; V347-V351 HydrophobicContact CG1-CG2 4.08Å; V347-V351 WeakPolarHBondContact O-CB 3.27Å; V347-V351 VanDerWaalsContact O-CG2 3.24Å; V347-V351 WeakPolarHBondContact O-CG2 3.34Å; V347-V351 PolarHBondContact O-N 3.23Å; V347-I365 HydrophobicContact CG1-CG1 4.49Å; V347-I365 HydrophobicContact CG1-CG2 4.42Å; V347-C368 HydrophobicContact CG2-CB 4.14Å; V347-F369 HydrophobicContact CG2-CB 4.23Å
348L98.1Very high97.7Very high27 Ų2730.6 Ų30.614%0.14116%0.163CC..Hα-helixtrans-56.8-45.4177.5-74.4167.9000112L252 T253 F255 Q344 R345 V350 V351 A352L252-L348 HydrophobicContact CD1-CD2 3.98Å; L252-L348 HydrophobicContact CD1-CG 4.09Å; L252-L348 HydrophobicContact CG-CD2 4.06Å; T253-L348 WeakPolarHBondContact O-CD1 3.4Å; F255-L348 HydrophobicContact CD2-CD1 4.37Å; F255-L348 HydrophobicContact CE2-CD1 4.27Å; Q344-L348 HydrophobicContact CG-CD1 4.2Å; Q344-L348 HydrophobicContact CG-CG 4.5Å; Q344-L348 VanDerWaalsContact O-CG 3.29Å; Q344-L348 WeakPolarHBondContact O-CG 3.21Å; Q344-L348 PolarHBondContact O-N 3.09Å; R345-L348 PolarHBondContact O-N 3.42Å; L348-V350 PolarHBondContact O-N 2.84Å; L348-V351 PolarHBondContact O-N 2.94Å; L348-A352 PolarHBondContact O-N 2.78Å
349E97.9Very high97.6Very high5 Ų538.7 Ų38.72%0.02319%0.194CC..Hα-helixtrans-70.3-32.2-178.5-60.9-5213800112.6W11 I15 K18 L306 I310 R345 V347W11-E349 HydrophobicContact CH2-CB 4.48Å; W11-E349 HydrophobicContact CH2-CG 4.08Å; W11-E349 HydrophobicContact CZ2-CB 3.78Å; W11-E349 HydrophobicContact CZ2-CG 3.56Å; I15-E349 HydrophobicContact CD1-CG 4.42Å; K18-E349 VanDerWaalsContact NZ-CD 3.31Å; K18-E349 IonicContact NZ-OE1 3.02Å; K18-E349 PolarHBondContact NZ-OE1 3.03Å; K18-E349 IonicContact NZ-OE2 3.03Å; K18-E349 PolarHBondContact NZ-OE2 3.21Å; L306-E349 HydrophobicContact CD2-CB 4.41Å; L306-E349 HydrophobicContact CD2-CG 4.43Å; I310-E349 HydrophobicContact CD1-CB 3.83Å; R345-E349 HydrophobicContact CG-CG 4.47Å; R345-E349 IonicContact CZ-OE1 2.82Å; R345-E349 IonicContact NH1-OE1 3.35Å; R345-E349 PolarHBondContact NH1-OE1 3.41Å; R345-E349 WeakPolarHBondContact O-CG 3.43Å; R345-E349 PolarHBondContact O-N 3.25Å; V347-E349 VanDerWaalsContact C-N 3.32Å; V347-E349 PolarHBondContact O-N 3.17Å
350V97.9Very high97.6Very high0 Ų039.1 Ų39.10%020%0.197CC..Hα-helixtrans-74.5-36.3172.7173.20000111.9I310 L314 A346 V347 L348 A352 V353 Q354 A361 F364 I365I310-V350 HydrophobicContact CD1-CG2 4.01Å; I310-V350 HydrophobicContact CG1-CG2 4Å; L314-V350 HydrophobicContact CD2-CG1 4.22Å; L314-V350 HydrophobicContact CD2-CG2 4.47Å; A346-V350 WeakPolarHBondContact O-CG2 3.27Å; A346-V350 PolarHBondContact O-N 3.13Å; V347-V350 PolarHBondContact O-N 3.3Å; L348-V350 PolarHBondContact O-N 2.84Å; V350-A352 VanDerWaalsContact C-N 3.3Å; V350-A352 PolarHBondContact O-N 2.77Å; V350-V353 CarbonylContact O-C 3.48Å; V350-V353 WeakPolarHBondContact O-CG2 3.35Å; V350-V353 PolarHBondContact O-N 3.33Å; V350-V353 VanDerWaalsContact O-N 3.16Å; V350-Q354 PolarHBondContact O-N 2.74Å; V350-A361 HydrophobicContact CG1-CB 3.72Å; V350-F364 HydrophobicContact CB-CD1 3.82Å; V350-F364 HydrophobicContact CB-CE1 4.1Å; V350-F364 HydrophobicContact CG1-CB 4.38Å; V350-F364 HydrophobicContact CG1-CD1 3.79Å; V350-F364 HydrophobicContact CG1-CG 4.4Å; V350-F364 HydrophobicContact CG2-CD1 3.53Å; V350-F364 HydrophobicContact CG2-CE1 3.56Å; V350-F364 HydrophobicContact CG2-CG 4.29Å; V350-F364 HydrophobicContact CG2-CZ 4.35Å; V350-I365 HydrophobicContact CG1-CD1 4.36Å; V350-I365 HydrophobicContact CG1-CG1 4.15Å
351V96.9Very high97.6Very high56 Ų5639.1 Ų39.134%0.33920%0.197SC..Hα-helixtrans-59.8-41.7174.1166.20000110.7V347 L348 V353 Q354 I365V347-V351 HydrophobicContact CG1-CG2 4.08Å; V347-V351 WeakPolarHBondContact O-CB 3.27Å; V347-V351 VanDerWaalsContact O-CG2 3.24Å; V347-V351 WeakPolarHBondContact O-CG2 3.34Å; V347-V351 PolarHBondContact O-N 3.23Å; L348-V351 PolarHBondContact O-N 2.94Å; V351-V353 PolarHBondContact O-N 2.84Å; V351-V353 VanDerWaalsContact O-N 3.14Å; V351-Q354 VanDerWaalsContact O-CB 3.29Å; V351-Q354 WeakPolarHBondContact O-CB 3.45Å; V351-Q354 PolarHBondContact O-N 3.21Å; V351-Q354 VanDerWaalsContact O-N 3.11Å; V351-I365 HydrophobicContact CG2-CD1 3.73Å; V351-I365 HydrophobicContact CG2-CG1 4.39Å
352A95.9Very high97.5Very high64 Ų6442.6 Ų42.653%0.52922%0.216SC..Hα-helixtrans-57.8-29.1177.700000113.4L348 V350L348-A352 PolarHBondContact O-N 2.78Å; V350-A352 VanDerWaalsContact C-N 3.3Å; V350-A352 PolarHBondContact O-N 2.77Å
353V96.4Very high97.5Very high7 Ų743.8 Ų43.84%0.04222%0.222CC..Hα-helixtrans-108.64.5179.4-57.40000113.6V3 L4 I310 L314 V350 V351 K355 H356 F357V3-V353 HydrophobicContact CG1-CB 3.83Å; V3-V353 HydrophobicContact CG1-CG1 3.67Å; L4-V353 HydrophobicContact CD1-CG1 4.22Å; L4-V353 HydrophobicContact CG-CG1 4.42Å; I310-V353 HydrophobicContact CG2-CG1 4.46Å; I310-V353 HydrophobicContact CG2-CG2 3.68Å; L314-V353 HydrophobicContact CD2-CG2 3.97Å; V350-V353 CarbonylContact O-C 3.48Å; V350-V353 WeakPolarHBondContact O-CG2 3.35Å; V350-V353 PolarHBondContact O-N 3.33Å; V350-V353 VanDerWaalsContact O-N 3.16Å; V351-V353 PolarHBondContact O-N 2.84Å; V351-V353 VanDerWaalsContact O-N 3.14Å; V353-K355 VanDerWaalsContact C-N 3.28Å; V353-K355 PolarHBondContact O-N 3.15Å; V353-H356 WeakPolarHBondContact O-CB 2.99Å; V353-H356 PolarHBondContact O-N 3.09Å; V353-F357 HydrophobicContact CB-CD2 3.78Å; V353-F357 HydrophobicContact CB-CE2 3.82Å; V353-F357 HydrophobicContact CG2-CD2 3.58Å; V353-F357 HydrophobicContact CG2-CE2 3.77Å; V353-F357 WeakPolarHBondContact O-CD2 3.45Å; V353-F357 PolarHBondContact O-N 3.41Å
354Q96.6Very high97.5Very high67 Ų6744.1 Ų44.131%0.31322%0.223SC..Hα-helixtrans-55.2-41.6-172.5-175.4-177.610.100112.5V350 V351 H356 F357 G358 A361 D362 I365V350-Q354 PolarHBondContact O-N 2.74Å; V351-Q354 VanDerWaalsContact O-CB 3.29Å; V351-Q354 WeakPolarHBondContact O-CB 3.45Å; V351-Q354 PolarHBondContact O-N 3.21Å; V351-Q354 VanDerWaalsContact O-N 3.11Å; Q354-H356 PolarHBondContact O-N 3Å; Q354-F357 PolarHBondContact O-N 3.27Å; Q354-G358 WeakPolarHBondContact O-CA 3.47Å; Q354-G358 PolarHBondContact O-N 3.28Å; Q354-A361 HydrophobicContact CB-CB 4.08Å; Q354-A361 HydrophobicContact CG-CB 3.91Å; Q354-D362 PolarHBondContact NE2-OD1 3.07Å; Q354-I365 HydrophobicContact CG-CD1 4.37Å
355K96.1Very high97.5Very high208 Ų20844.5 Ų44.590%0.90423%0.225SC*.Hα-helixtrans-59.4-28.3177.4-67.1-177.3179.8177.10113.5V353V353-K355 VanDerWaalsContact C-N 3.28Å; V353-K355 PolarHBondContact O-N 3.15Å
356H95.8Very high97.4Very high128 Ų12845.9 Ų45.959%0.59323%0.231SC*.Hα-helixtrans-87-32.1-178.1-61.895.2000112.8V3 V353 Q354V3-H356 HydrophobicContact CG1-CB 3.74Å; V3-H356 HydrophobicContact CG2-CB 4.13Å; V353-H356 WeakPolarHBondContact O-CB 2.99Å; V353-H356 PolarHBondContact O-N 3.09Å; Q354-H356 PolarHBondContact O-N 3Å
357F96.4Very high97.4Very high40 Ų4048.5 Ų48.518%0.17524%0.244CC..Hα-helixtrans-103.7-8.9-176.8-66-77.9000113.9V3 I310 L314 K315 V353 Q354 R359 S360 A361V3-F357 HydrophobicContact CG1-CE2 3.76Å; V3-F357 HydrophobicContact CG1-CZ 4.41Å; I310-F357 HydrophobicContact CG2-CE2 4.23Å; I310-F357 WeakPolarHBondContact O-CZ 3.49Å; L314-F357 HydrophobicContact CB-CD1 4.32Å; L314-F357 HydrophobicContact CB-CE1 4.44Å; L314-F357 HydrophobicContact CD2-CB 3.97Å; L314-F357 HydrophobicContact CD2-CD1 4.3Å; L314-F357 HydrophobicContact CD2-CD2 3.56Å; L314-F357 HydrophobicContact CD2-CE2 4.06Å; L314-F357 HydrophobicContact CD2-CG 3.69Å; L314-F357 HydrophobicContact CG-CB 4.03Å; L314-F357 HydrophobicContact CG-CD1 4.11Å; L314-F357 HydrophobicContact CG-CD2 4.25Å; L314-F357 HydrophobicContact CG-CG 3.88Å; K315-F357 HydrophobicContact CB-CD1 3.85Å; K315-F357 HydrophobicContact CB-CE1 3.93Å; V353-F357 HydrophobicContact CB-CD2 3.78Å; V353-F357 HydrophobicContact CB-CE2 3.82Å; V353-F357 HydrophobicContact CG2-CD2 3.58Å; V353-F357 HydrophobicContact CG2-CE2 3.77Å; V353-F357 WeakPolarHBondContact O-CD2 3.45Å; V353-F357 PolarHBondContact O-N 3.41Å; Q354-F357 PolarHBondContact O-N 3.27Å; F357-R359 PolarHBondContact O-N 3.07Å; F357-S360 PolarHBondContact O-N 3.35Å; F357-A361 HydrophobicContact CB-CB 4.13Å
358G96.2Very high97.4Very high31 Ų3149 Ų4932%0.3225%0.247SC..THydrogen-bonded Turntrans50.5-127175.600000112.4Q354 S360 A361 D362Q354-G358 WeakPolarHBondContact O-CA 3.47Å; Q354-G358 PolarHBondContact O-N 3.28Å; G358-S360 PolarHBondContact O-N 2.85Å; G358-A361 WeakPolarHBondContact O-CA 3.33Å; G358-A361 WeakPolarHBondContact O-CB 3.39Å; G358-A361 PolarHBondContact O-N 3.12Å; G358-D362 PolarHBondContact O-N 2.72Å; G358-D362 VanDerWaalsContact O-N 3.11Å
359R97.7Very high97.4Very high171 Ų17147.8 Ų47.865%0.64524%0.24SC*.Hα-helixtrans-53.9-32.4-175.5-175.1171166.2150.23.1114.5D318 F357 D362 I363D318-R359 HydrophobicContact CB-CG 4.47Å; D318-R359 IonicContact OD1-NE 3.74Å; D318-R359 WeakPolarHBondContact OD2-CD 3.26Å; D318-R359 VanDerWaalsContact OD2-CG 3.31Å; D318-R359 WeakPolarHBondContact OD2-CG 3Å; D318-R359 IonicContact OD2-CZ 2.75Å; D318-R359 IonicContact OD2-NE 3.66Å; D318-R359 PolarHBondContact OD2-NE 3.39Å; F357-R359 PolarHBondContact O-N 3.07Å; R359-D362 PolarHBondContact O-N 3.06Å; R359-I363 HydrophobicContact CG-CD1 3.9Å; R359-I363 HydrophobicContact CG-CG1 4.38Å; R359-I363 WeakPolarHBondContact O-CG1 3.17Å; R359-I363 PolarHBondContact O-N 2.77Å
360S98.2Very high97.4Very high9 Ų947.5 Ų47.56%0.06324%0.239CC..Hα-helixtrans-65.7-38.3175.7-75.50000112.6L314 K315 D318 F357 G358 F364L314-S360 WeakPolarHBondContact O-CB 3.43Å; L314-S360 PolarHBondContact O-OG 3.45Å; K315-S360 PolarHBondContact O-OG 3.41Å; D318-S360 WeakPolarHBondContact CB-OG 3.37Å; D318-S360 PolarHBondContact N-OG 3.46Å; D318-S360 VanDerWaalsContact N-OG 3.14Å; F357-S360 PolarHBondContact O-N 3.35Å; G358-S360 PolarHBondContact O-N 2.85Å; S360-F364 PolarHBondContact O-N 3.38Å; S360-F364 VanDerWaalsContact O-N 3.13Å
361A98.2Very high97.4Very high0 Ų052.2 Ų52.20%026%0.257CS..Hα-helixtrans-68.5-43.2172.800000111.2V350 Q354 F357 G358 I363 F364 I365V350-A361 HydrophobicContact CG1-CB 3.72Å; Q354-A361 HydrophobicContact CB-CB 4.08Å; Q354-A361 HydrophobicContact CG-CB 3.91Å; F357-A361 HydrophobicContact CB-CB 4.13Å; G358-A361 WeakPolarHBondContact O-CA 3.33Å; G358-A361 WeakPolarHBondContact O-CB 3.39Å; G358-A361 PolarHBondContact O-N 3.12Å; A361-I363 VanDerWaalsContact C-N 3.29Å; A361-I363 PolarHBondContact O-N 2.87Å; A361-F364 PolarHBondContact O-N 3.27Å; A361-F364 VanDerWaalsContact O-N 3.14Å; A361-I365 VanDerWaalsContact O-CG1 3.32Å; A361-I365 WeakPolarHBondContact O-CG1 3.32Å; A361-I365 PolarHBondContact O-N 2.95Å
362D98.1Very high97.5Very high75 Ų7550 Ų5040%0.40124%0.243SC..Hα-helixtrans-57.4-42.8177.7-60.5-25.5000112.1Q354 G358 R359 I365 E366Q354-D362 PolarHBondContact NE2-OD1 3.07Å; G358-D362 PolarHBondContact O-N 2.72Å; G358-D362 VanDerWaalsContact O-N 3.11Å; R359-D362 PolarHBondContact O-N 3.06Å; D362-I365 PolarHBondContact O-N 2.89Å; D362-E366 WeakPolarHBondContact O-CB 3.42Å; D362-E366 PolarHBondContact O-N 2.88Å
363I98.1Very high97.6Very high27 Ų2747.2 Ų47.214%0.13822%0.219CC..Hα-helixtrans-71-37.5178.9-68.7172.1000111.1F317 D318 R359 A361 I365 E366 E367F317-I363 HydrophobicContact CD1-CB 4.46Å; F317-I363 HydrophobicContact CD1-CG2 4.18Å; F317-I363 HydrophobicContact CE1-CB 4.41Å; F317-I363 HydrophobicContact CE1-CG2 3.8Å; D318-I363 HydrophobicContact CB-CD1 3.76Å; D318-I363 WeakPolarHBondContact OD1-CD1 3.17Å; R359-I363 HydrophobicContact CG-CD1 3.9Å; R359-I363 HydrophobicContact CG-CG1 4.38Å; R359-I363 WeakPolarHBondContact O-CG1 3.17Å; R359-I363 PolarHBondContact O-N 2.77Å; A361-I363 VanDerWaalsContact C-N 3.29Å; A361-I363 PolarHBondContact O-N 2.87Å; I363-I365 VanDerWaalsContact C-N 3.32Å; I363-I365 PolarHBondContact O-N 3.03Å; I363-E366 PolarHBondContact O-N 2.78Å; I363-E367 HydrophobicContact CG2-CG 4.32Å; I363-E367 VanDerWaalsContact O-CG 3.27Å; I363-E367 WeakPolarHBondContact O-CG 3.48Å; I363-E367 PolarHBondContact O-N 2.94Å
364F98.4Very high97.7Very high7 Ų747.1 Ų47.13%0.03122%0.218CC..Hα-helixtrans-60.9-44.8173177.9-91.1000111.4F309 L314 F317 L332 A346 V350 S360 A361 E366 E367 C368F309-F364 HydrophobicContact CD1-CD2 4.35Å; F309-F364 HydrophobicContact CD1-CE2 4.14Å; F309-F364 HydrophobicContact CE1-CB 4.5Å; F309-F364 AromaticContact CE1-CD2 3.29Å; F309-F364 HydrophobicContact CE1-CD2 3.29Å; F309-F364 AromaticContact CE1-CE2 3.49Å; F309-F364 HydrophobicContact CE1-CE2 3.49Å; F309-F364 VanDerWaalsContact CE1-CE2 3.49Å; F309-F364 AromaticContact CE1-CG 3.86Å; F309-F364 HydrophobicContact CE1-CG 3.86Å; F309-F364 HydrophobicContact CE1-CZ 4.19Å; F309-F364 HydrophobicContact CZ-CB 4.46Å; F309-F364 AromaticContact CZ-CD2 3.54Å; F309-F364 HydrophobicContact CZ-CD2 3.54Å; F309-F364 HydrophobicContact CZ-CE2 4.08Å; F309-F364 HydrophobicContact CZ-CG 4.19Å; L314-F364 HydrophobicContact CD1-CB 4.21Å; F317-F364 HydrophobicContact CD1-CB 4.06Å; F317-F364 HydrophobicContact CE1-CB 3.9Å; F317-F364 HydrophobicContact CE1-CD2 4.4Å; L332-F364 HydrophobicContact CD1-CE2 4.49Å; L332-F364 HydrophobicContact CD1-CZ 4.3Å; A346-F364 HydrophobicContact CB-CE1 4.45Å; A346-F364 HydrophobicContact CB-CZ 4.25Å; V350-F364 HydrophobicContact CB-CD1 3.82Å; V350-F364 HydrophobicContact CB-CE1 4.1Å; V350-F364 HydrophobicContact CG1-CB 4.38Å; V350-F364 HydrophobicContact CG1-CD1 3.79Å; V350-F364 HydrophobicContact CG1-CG 4.4Å; V350-F364 HydrophobicContact CG2-CD1 3.53Å; V350-F364 HydrophobicContact CG2-CE1 3.56Å; V350-F364 HydrophobicContact CG2-CG 4.29Å; V350-F364 HydrophobicContact CG2-CZ 4.35Å; S360-F364 PolarHBondContact O-N 3.38Å; S360-F364 VanDerWaalsContact O-N 3.13Å; A361-F364 PolarHBondContact O-N 3.27Å; A361-F364 VanDerWaalsContact O-N 3.14Å; F364-E366 PolarHBondContact O-N 2.64Å; F364-E367 PolarHBondContact O-N 3.45Å; F364-C368 HydrophobicContact CD1-CB 4.25Å; F364-C368 HydrophobicContact CE1-CB 3.83Å; F364-C368 HydrophobicContact CE2-CB 4.37Å; F364-C368 HydrophobicContact CZ-CB 3.91Å; F364-C368 VanDerWaalsContact O-CB 3.25Å; F364-C368 WeakPolarHBondContact O-CB 3.01Å; F364-C368 PolarHBondContact O-N 3.22Å
365I98.2Very high97.8Very high13 Ų1344 Ų447%0.06720%0.204CC..Hα-helixtrans-61.9-44.7177.4-65.1163000110.2V347 V350 V351 Q354 A361 D362 I363 E367 C368 F369V347-I365 HydrophobicContact CG1-CG1 4.49Å; V347-I365 HydrophobicContact CG1-CG2 4.42Å; V350-I365 HydrophobicContact CG1-CD1 4.36Å; V350-I365 HydrophobicContact CG1-CG1 4.15Å; V351-I365 HydrophobicContact CG2-CD1 3.73Å; V351-I365 HydrophobicContact CG2-CG1 4.39Å; Q354-I365 HydrophobicContact CG-CD1 4.37Å; A361-I365 VanDerWaalsContact O-CG1 3.32Å; A361-I365 WeakPolarHBondContact O-CG1 3.32Å; A361-I365 PolarHBondContact O-N 2.95Å; D362-I365 PolarHBondContact O-N 2.89Å; I363-I365 VanDerWaalsContact C-N 3.32Å; I363-I365 PolarHBondContact O-N 3.03Å; I365-E367 VanDerWaalsContact C-N 3.32Å; I365-E367 PolarHBondContact O-N 3.04Å; I365-C368 PolarHBondContact O-N 3.3Å; I365-F369 HydrophobicContact CG2-CB 4.45Å; I365-F369 WeakPolarHBondContact O-CA 3.47Å; I365-F369 WeakPolarHBondContact O-CB 3.07Å; I365-F369 PolarHBondContact O-N 3.46Å
366E97.8Very high97.9Very high28 Ų2834.1 Ų34.113%0.13116%0.16CC..Iπ-helixtrans-57-43.3175.4171.467.1-17200112.5R241 D362 I363 F364 N370 R371R241-E366 IonicContact CZ-OE1 3.82Å; R241-E366 IonicContact CZ-OE2 3.67Å; R241-E366 IonicContact NE-OE1 3.75Å; R241-E366 IonicContact NE-OE2 2.87Å; R241-E366 PolarHBondContact NE-OE2 2.6Å; R241-E366 IonicContact NH2-OE1 2.98Å; R241-E366 PolarHBondContact NH2-OE1 2.82Å; R241-E366 IonicContact NH2-OE2 3.56Å; D362-E366 WeakPolarHBondContact O-CB 3.42Å; D362-E366 PolarHBondContact O-N 2.88Å; I363-E366 PolarHBondContact O-N 2.78Å; F364-E366 PolarHBondContact O-N 2.64Å; E366-N370 WeakPolarHBondContact O-CB 3.47Å; E366-N370 PolarHBondContact O-N 3.13Å; E366-N370 PolarHBondContact OE2-ND2 3.43Å; E366-R371 HydrophobicContact CG-CG 4.4Å; E366-R371 VanDerWaalsContact O-CG 3.32Å; E366-R371 WeakPolarHBondContact O-CG 3.4Å; E366-R371 PolarHBondContact O-N 3.28Å; E366-R371 IonicContact OE1-NE 3.28Å
367E97.9Very high98.1Very high55 Ų5528.1 Ų28.126%0.25713%0.133SC..Iπ-helixtrans-76.7-41.8-178.3-59.9-71.517500112.2R321 I363 F364 I365 R371 R372R321-E367 IonicContact CZ-OE1 2.86Å; R321-E367 IonicContact NH1-OE1 3.41Å; R321-E367 PolarHBondContact NH1-OE1 3.11Å; R321-E367 IonicContact NH2-OE1 3.34Å; I363-E367 HydrophobicContact CG2-CG 4.32Å; I363-E367 VanDerWaalsContact O-CG 3.27Å; I363-E367 WeakPolarHBondContact O-CG 3.48Å; I363-E367 PolarHBondContact O-N 2.94Å; F364-E367 PolarHBondContact O-N 3.45Å; I365-E367 VanDerWaalsContact C-N 3.32Å; I365-E367 PolarHBondContact O-N 3.04Å; E367-R371 WeakPolarHBondContact OE2-CG 3.06Å; E367-R372 PolarHBondContact O-N 2.88Å
368C98.2Very high98.2Very high10 Ų1026.2 Ų26.27%0.06812%0.124CC..Iπ-helixtrans-81.3-26.7-175.4-168.30000113.6V347 F364 I365 R372V347-C368 HydrophobicContact CG2-CB 4.14Å; F364-C368 HydrophobicContact CD1-CB 4.25Å; F364-C368 HydrophobicContact CE1-CB 3.83Å; F364-C368 HydrophobicContact CE2-CB 4.37Å; F364-C368 HydrophobicContact CZ-CB 3.91Å; F364-C368 VanDerWaalsContact O-CB 3.25Å; F364-C368 WeakPolarHBondContact O-CB 3.01Å; F364-C368 PolarHBondContact O-N 3.22Å; I365-C368 PolarHBondContact O-N 3.3Å; C368-R372 WeakPolarHBondContact O-CB 3.5Å; C368-R372 PolarHBondContact O-NE 3.13Å
369F98.2Very high98.3Very high2 Ų224.7 Ų24.71%0.00911%0.109CC..Iπ-helixtrans-103.2-72.9177.2-177.8-149.6000111.3I223 V224 L244 V347 I365 R371 E373I223-F369 HydrophobicContact CB-CD2 3.98Å; I223-F369 HydrophobicContact CB-CE2 3.65Å; I223-F369 HydrophobicContact CB-CZ 4.41Å; I223-F369 HydrophobicContact CD1-CB 4.12Å; I223-F369 HydrophobicContact CD1-CD2 3.46Å; I223-F369 VanDerWaalsContact CD1-CD2 3.46Å; I223-F369 HydrophobicContact CD1-CE2 3.97Å; I223-F369 HydrophobicContact CD1-CG 3.82Å; I223-F369 HydrophobicContact CG1-CD2 4.22Å; I223-F369 HydrophobicContact CG1-CE2 4.37Å; I223-F369 HydrophobicContact CG2-CE2 3.91Å; I223-F369 HydrophobicContact CG2-CZ 4.18Å; V224-F369 HydrophobicContact CG2-CE2 4Å; V224-F369 HydrophobicContact CG2-CZ 3.86Å; L244-F369 HydrophobicContact CB-CE1 4.18Å; L244-F369 HydrophobicContact CB-CE2 4.26Å; L244-F369 HydrophobicContact CB-CZ 3.76Å; L244-F369 HydrophobicContact CD1-CE2 4.41Å; V347-F369 HydrophobicContact CG2-CB 4.23Å; I365-F369 HydrophobicContact CG2-CB 4.45Å; I365-F369 WeakPolarHBondContact O-CA 3.47Å; I365-F369 WeakPolarHBondContact O-CB 3.07Å; I365-F369 PolarHBondContact O-N 3.46Å; F369-R371 PolarHBondContact O-N 3.39Å; F369-E373 HydrophobicContact CD2-CG 4.3Å; F369-E373 VanDerWaalsContact CD2-OE1 3.31Å; F369-E373 WeakPolarHBondContact CD2-OE1 3.24Å; F369-E373 VanDerWaalsContact CE2-CD 3.48Å; F369-E373 WeakPolarHBondContact CE2-OE1 3.45Å; F369-E373 VanDerWaalsContact CE2-OE2 3.31Å; F369-E373 WeakPolarHBondContact CE2-OE2 3.48Å; F369-E373 WeakPolarHBondContact O-CB 3.35Å; F369-E373 WeakPolarHBondContact O-CG 3.23Å; F369-E373 PolarHBondContact O-N 2.82Å
370N97.9Very high98.3Very high0 Ų018.1 Ų18.10%09%0.085CC..Iπ-helixtrans-65.8-46.6-168.4-63.7-47.3000113F245 E366 L374F245-N370 WeakPolarHBondContact CE2-ND2 3.39Å; E366-N370 WeakPolarHBondContact O-CB 3.47Å; E366-N370 PolarHBondContact O-N 3.13Å; E366-N370 PolarHBondContact OE2-ND2 3.43Å; N370-L374 VanDerWaalsContact O-CB 3.28Å; N370-L374 WeakPolarHBondContact O-CB 3.35Å; N370-L374 PolarHBondContact O-N 3.22Å
371R98.2Very high98.2Very high98 Ų9820.3 Ų20.337%0.379%0.094SC..Iπ-helixtrans-71.2-41-178.2-65.7-89.6-179.1166.35111.7E366 E367 F369 L374 A375E366-R371 HydrophobicContact CG-CG 4.4Å; E366-R371 VanDerWaalsContact O-CG 3.32Å; E366-R371 WeakPolarHBondContact O-CG 3.4Å; E366-R371 PolarHBondContact O-N 3.28Å; E366-R371 IonicContact OE1-NE 3.28Å; E367-R371 WeakPolarHBondContact OE2-CG 3.06Å; F369-R371 PolarHBondContact O-N 3.39Å; R371-L374 WeakPolarHBondContact O-CB 3.28Å; R371-L374 PolarHBondContact O-N 2.88Å; R371-A375 PolarHBondContact O-N 3.41Å
372R98.5Very high98.1Very high10 Ų1020.7 Ų20.74%0.03810%0.097CC..Hα-helixtrans-63.1-50.1177.2-164.7-167.363.673.48.5111.3H221 N222 E367 C368 L374 A375 E376H221-R372 PolarHBondContact CD2-NH1 3.49Å; H221-R372 VanDerWaalsContact CD2-NH1 3.32Å; H221-R372 PolarHBondContact O-NH2 3.17Å; N222-R372 PolarHBondContact OD1-NH1 3.47Å; N222-R372 PolarHBondContact OD1-NH2 3.27Å; E367-R372 PolarHBondContact O-N 2.88Å; C368-R372 WeakPolarHBondContact O-CB 3.5Å; C368-R372 PolarHBondContact O-NE 3.13Å; R372-L374 VanDerWaalsContact C-N 3.28Å; R372-L374 PolarHBondContact O-N 2.87Å; R372-A375 VanDerWaalsContact O-CB 3.32Å; R372-A375 WeakPolarHBondContact O-CB 3.45Å; R372-A375 PolarHBondContact O-N 3.31Å; R372-E376 IonicContact NH1-OE1 3.82Å; R372-E376 PolarHBondContact NH1-OE1 2.84Å; R372-E376 WeakPolarHBondContact O-CG 3.13Å; R372-E376 PolarHBondContact O-N 3.5Å
373E98.6Very high97.8Very high6 Ų619.9 Ų19.93%0.02810%0.096CC..Hα-helixtrans-72.4-21.1179.8-67.7-172.7-162.800113.2N222 I223 V224 L244 F369 A375 E376 N377N222-E373 HydrophobicContact CB-CG 4.21Å; I223-E373 WeakPolarHBondContact CA-OE1 3.39Å; I223-E373 WeakPolarHBondContact CB-OE1 3.09Å; I223-E373 PolarHBondContact N-OE1 2.9Å; V224-E373 PolarHBondContact N-OE2 3.49Å; L244-E373 HydrophobicContact CD1-CB 3.9Å; L244-E373 WeakPolarHBondContact CD2-OE2 3.33Å; F369-E373 HydrophobicContact CD2-CG 4.3Å; F369-E373 VanDerWaalsContact CD2-OE1 3.31Å; F369-E373 WeakPolarHBondContact CD2-OE1 3.24Å; F369-E373 VanDerWaalsContact CE2-CD 3.48Å; F369-E373 WeakPolarHBondContact CE2-OE1 3.45Å; F369-E373 VanDerWaalsContact CE2-OE2 3.31Å; F369-E373 WeakPolarHBondContact CE2-OE2 3.48Å; F369-E373 WeakPolarHBondContact O-CB 3.35Å; F369-E373 WeakPolarHBondContact O-CG 3.23Å; F369-E373 PolarHBondContact O-N 2.82Å; E373-A375 VanDerWaalsContact C-N 3.32Å; E373-E376 PolarHBondContact O-N 2.98Å; E373-N377 WeakPolarHBondContact O-CB 3.35Å; E373-N377 PolarHBondContact O-N 3.4Å
374L98.7Very high97.6Very high4 Ų421 Ų212%0.02110%0.1CC..Hα-helixtrans-63.8-38.7165.9-177.760.1000111.8E234 A237 I240 N370 R371 R372 N377 F378 H494E234-L374 HydrophobicContact CB-CD1 3.85Å; A237-L374 HydrophobicContact CB-CD2 4.17Å; I240-L374 HydrophobicContact CB-CD1 4.14Å; I240-L374 HydrophobicContact CD1-CB 4.33Å; I240-L374 HydrophobicContact CD1-CD1 3.96Å; I240-L374 HydrophobicContact CG2-CB 4.08Å; I240-L374 HydrophobicContact CG2-CD1 3.91Å; I240-L374 HydrophobicContact CG2-CG 4.38Å; N370-L374 VanDerWaalsContact O-CB 3.28Å; N370-L374 WeakPolarHBondContact O-CB 3.35Å; N370-L374 PolarHBondContact O-N 3.22Å; R371-L374 WeakPolarHBondContact O-CB 3.28Å; R371-L374 PolarHBondContact O-N 2.88Å; R372-L374 VanDerWaalsContact C-N 3.28Å; R372-L374 PolarHBondContact O-N 2.87Å; L374-N377 WeakPolarHBondContact O-CB 3.45Å; L374-N377 PolarHBondContact O-N 2.69Å; L374-F378 PolarHBondContact O-N 3.15Å; L374-H494 HydrophobicContact CD2-CB 4.07Å
375A98.7Very high97.5Very high2 Ų221.1 Ų21.12%0.01710%0.1CC..Hα-helixtrans-66.6-41177.200000111.6R371 R372 E373 F378 C379 P480 N481 V484R371-A375 PolarHBondContact O-N 3.41Å; R372-A375 VanDerWaalsContact O-CB 3.32Å; R372-A375 WeakPolarHBondContact O-CB 3.45Å; R372-A375 PolarHBondContact O-N 3.31Å; E373-A375 VanDerWaalsContact C-N 3.32Å; A375-F378 PolarHBondContact O-N 3.15Å; A375-C379 PolarHBondContact O-N 2.83Å; A375-P480 HydrophobicContact CB-CB 4.22Å; A375-N481 WeakPolarHBondContact CB-OD1 3.41Å; A375-V484 HydrophobicContact CB-CB 3.82Å; A375-V484 HydrophobicContact CB-CG1 4.07Å; A375-V484 HydrophobicContact CB-CG2 3.8Å
376E98.6Very high97.3Very high0 Ų021.9 Ų21.90%010%0.104CC..Hα-helixtrans-59.1-48.4172.4-57.6-75.7166.700111.3R63 P194 H221 N222 V226 R372 E373 F378 C379 F380R63-E376 IonicContact CZ-OE1 3.21Å; R63-E376 VanDerWaalsContact CZ-OE1 3.28Å; R63-E376 IonicContact CZ-OE2 3.27Å; R63-E376 VanDerWaalsContact NH1-CD 3.33Å; R63-E376 IonicContact NH1-OE1 2.78Å; R63-E376 PolarHBondContact NH1-OE1 2.8Å; R63-E376 IonicContact NH1-OE2 2.7Å; R63-E376 PolarHBondContact NH1-OE2 3.28Å; R63-E376 IonicContact NH2-OE1 3.3Å; R63-E376 PolarHBondContact NH2-OE1 2.94Å; R63-E376 IonicContact NH2-OE2 2.79Å; P194-E376 VanDerWaalsContact CD-OE2 3.22Å; P194-E376 WeakPolarHBondContact CD-OE2 3.47Å; P194-E376 VanDerWaalsContact CG-OE2 3.23Å; P194-E376 WeakPolarHBondContact CG-OE2 3.31Å; H221-E376 IonicContact CD2-OE1 3.48Å; N222-E376 WeakPolarHBondContact OD1-CG 3.46Å; V226-E376 HydrophobicContact CG2-CB 4.25Å; R372-E376 IonicContact NH1-OE1 3.82Å; R372-E376 PolarHBondContact NH1-OE1 2.84Å; R372-E376 WeakPolarHBondContact O-CG 3.13Å; R372-E376 PolarHBondContact O-N 3.5Å; E373-E376 PolarHBondContact O-N 2.98Å; E376-F378 VanDerWaalsContact C-N 3.31Å; E376-F378 PolarHBondContact O-N 3.05Å; E376-C379 PolarHBondContact O-N 2.9Å; E376-F380 WeakPolarHBondContact O-CB 3.39Å; E376-F380 PolarHBondContact O-N 3.07Å
377N98.6Very high97.1Very high2 Ų222 Ų221%0.01111%0.108CC..Hα-helixtrans-56.7-44.3175.9172.7-93.9000111.7K232 R233 E234 I240 E373 L374 H381K232-N377 PolarHBondContact O-ND2 3.11Å; R233-N377 WeakPolarHBondContact CA-OD1 3.24Å; E234-N377 PolarHBondContact N-OD1 3.26Å; I240-N377 HydrophobicContact CD1-CB 3.73Å; E373-N377 WeakPolarHBondContact O-CB 3.35Å; E373-N377 PolarHBondContact O-N 3.4Å; L374-N377 WeakPolarHBondContact O-CB 3.45Å; L374-N377 PolarHBondContact O-N 2.69Å; N377-H381 PolarHBondContact ND2-CD2 3.38Å; N377-H381 VanDerWaalsContact ND2-CD2 3.26Å; N377-H381 WeakPolarHBondContact O-CB 3.5Å; N377-H381 PolarHBondContact O-CD2 3.05Å; N377-H381 VanDerWaalsContact O-CD2 3.3Å; N377-H381 PolarHBondContact O-N 3.36Å; N377-H381 VanDerWaalsContact O-N 3.07Å
378F98.6Very high97Very high0 Ų020 Ų200%010%0.099CC..Hα-helixtrans-63.1-51.9179.4179.1-93.8000111.8R233 L374 A375 E376 F380 H381 T382 V484 V493 H494R233-F378 HydrophobicContact CG-CD2 4.49Å; L374-F378 PolarHBondContact O-N 3.15Å; A375-F378 PolarHBondContact O-N 3.15Å; E376-F378 VanDerWaalsContact C-N 3.31Å; E376-F378 PolarHBondContact O-N 3.05Å; F378-F380 VanDerWaalsContact C-N 3.31Å; F378-F380 PolarHBondContact O-N 2.88Å; F378-H381 PolarHBondContact O-N 2.97Å; F378-T382 HydrophobicContact CE2-CG2 4.37Å; F378-T382 HydrophobicContact CZ-CG2 4.11Å; F378-T382 WeakPolarHBondContact O-CA 3.43Å; F378-T382 WeakPolarHBondContact O-CB 3.2Å; F378-T382 PolarHBondContact O-N 2.93Å; F378-T382 PolarHBondContact O-OG1 3.19Å; F378-V484 HydrophobicContact CB-CG2 3.78Å; F378-V484 HydrophobicContact CD1-CG2 3.37Å; F378-V484 HydrophobicContact CE1-CG2 4.16Å; F378-V484 HydrophobicContact CG-CG2 3.81Å; F378-V493 HydrophobicContact CD2-CG1 3.62Å; F378-V493 HydrophobicContact CE2-CB 4.27Å; F378-V493 HydrophobicContact CE2-CG1 3.31Å; F378-V493 HydrophobicContact CE2-CG2 3.91Å; F378-V493 HydrophobicContact CG-CG1 4.38Å; F378-V493 HydrophobicContact CZ-CG1 3.86Å; F378-V493 HydrophobicContact CZ-CG2 3.98Å; F378-H494 AromaticContact CD2-CE1 3.86Å; F378-H494 AromaticContact CD2-NE2 3.74Å; F378-H494 AromaticContact CG-NE2 3.94Å
379C98.1Very high96.8Very high0 Ų025.4 Ų25.40%012%0.121CC..Hα-helixtrans-65.2-34.5179.9-72.10000112.3P194 L195 A375 E376 Y385 P480P194-C379 HydrophobicContact CB-CB 3.88Å; P194-C379 HydrophobicContact CG-CB 3.93Å; L195-C379 HydrophobicContact CD2-CB 4.43Å; A375-C379 PolarHBondContact O-N 2.83Å; E376-C379 PolarHBondContact O-N 2.9Å; C379-Y385 HydrophobicContact CB-CD1 4.09Å; C379-Y385 HydrophobicContact CB-CG 4.23Å; C379-P480 HydrophobicContact CB-CB 4.28Å
380F97.8Very high96.6Very high32 Ų3225.4 Ų25.414%0.1412%0.122CC..Hα-helixtrans-66.8-44.8178-178.6-108.2000112.5F192 P194 R199 V226 E376 F378F192-F380 AromaticContact CE2-CD2 3.78Å; F192-F380 HydrophobicContact CE2-CD2 3.78Å; F192-F380 AromaticContact CE2-CE2 3.96Å; F192-F380 HydrophobicContact CE2-CE2 3.96Å; F192-F380 AromaticContact CZ-CD2 3.56Å; F192-F380 HydrophobicContact CZ-CD2 3.56Å; F192-F380 HydrophobicContact CZ-CE2 4.13Å; F192-F380 HydrophobicContact CZ-CG 4.32Å; P194-F380 HydrophobicContact CB-CB 4.02Å; R199-F380 PolarHBondContact NH1-O 2.49Å; V226-F380 HydrophobicContact CG1-CD1 4.17Å; V226-F380 HydrophobicContact CG1-CD2 3.92Å; V226-F380 HydrophobicContact CG1-CE1 4.35Å; V226-F380 HydrophobicContact CG1-CE2 4.08Å; V226-F380 HydrophobicContact CG1-CG 3.94Å; V226-F380 HydrophobicContact CG1-CZ 4.3Å; V226-F380 HydrophobicContact CG2-CB 3.79Å; V226-F380 HydrophobicContact CG2-CD1 4.13Å; V226-F380 HydrophobicContact CG2-CG 3.97Å; E376-F380 WeakPolarHBondContact O-CB 3.39Å; E376-F380 PolarHBondContact O-N 3.07Å; F378-F380 VanDerWaalsContact C-N 3.31Å; F378-F380 PolarHBondContact O-N 2.88Å
381H97.6Very high96.5Very high55 Ų5525.7 Ų25.726%0.25512%0.124SC..Hα-helixtrans-94-8.1-175.5-71.3-71.3000114.5S230 E231 K232 R233 N377 F378S230-H381 PolarHBondContact O-NE2 3.33Å; E231-H381 PolarHBondContact O-CE1 3.03Å; E231-H381 VanDerWaalsContact O-CE1 3.23Å; K232-H381 PolarHBondContact O-CD2 3.26Å; R233-H381 HydrophobicContact CB-CB 3.76Å; N377-H381 PolarHBondContact ND2-CD2 3.38Å; N377-H381 VanDerWaalsContact ND2-CD2 3.26Å; N377-H381 WeakPolarHBondContact O-CB 3.5Å; N377-H381 PolarHBondContact O-CD2 3.05Å; N377-H381 VanDerWaalsContact O-CD2 3.3Å; N377-H381 PolarHBondContact O-N 3.36Å; N377-H381 VanDerWaalsContact O-N 3.07Å; F378-H381 PolarHBondContact O-N 2.97Å
382T95.9Very high96.5Very high9 Ų922.7 Ų22.76%0.05511%0.113CC..  trans-121.296.2-179.1-47.70000109.5R233 F378 F384 Y385R233-T382 WeakPolarHBondContact CD-OG1 3.46Å; R233-T382 PolarHBondContact NH1-OG1 3.03Å; F378-T382 HydrophobicContact CE2-CG2 4.37Å; F378-T382 HydrophobicContact CZ-CG2 4.11Å; F378-T382 WeakPolarHBondContact O-CA 3.43Å; F378-T382 WeakPolarHBondContact O-CB 3.2Å; F378-T382 PolarHBondContact O-N 2.93Å; F378-T382 PolarHBondContact O-OG1 3.19Å; T382-F384 PolarHBondContact O-N 2.99Å; T382-F384 VanDerWaalsContact O-N 3.12Å; T382-Y385 WeakPolarHBondContact O-CB 3.48Å; T382-Y385 WeakPolarHBondContact O-CD1 3.38Å; T382-Y385 PolarHBondContact O-N 2.71Å; T382-Y385 VanDerWaalsContact O-N 3.09Å
383P92.1Very high96.4Very high58 Ų5826.7 Ų26.738%0.37714%0.135SC..THydrogen-bonded Turntrans-60.8-27-179.3-21.231000113.6W149 R196 Y385W149-P383 HydrophobicContact CE3-CB 3.63Å; W149-P383 HydrophobicContact CH2-CB 3.5Å; W149-P383 VanDerWaalsContact CH2-CB 3.5Å; W149-P383 HydrophobicContact CH2-CG 4.34Å; W149-P383 HydrophobicContact CZ2-CB 4.39Å; W149-P383 HydrophobicContact CZ3-CB 3.07Å; W149-P383 HydrophobicContact CZ3-CG 4.27Å; R196-P383 PolarHBondContact NH2-O 3.33Å; P383-Y385 VanDerWaalsContact C-N 3.33Å; P383-Y385 PolarHBondContact O-N 3.31Å
384F93.9Very high96.4Very high51 Ų5129.1 Ų29.122%0.22414%0.144CC..THydrogen-bonded Turntrans-91.733.3175.9-60.9-91.8000113.6W149 T382 D386 S387 K389 G390W149-F384 HydrophobicContact CB-CD1 4.28Å; W149-F384 AromaticContact CD1-CD1 3.43Å; W149-F384 VanDerWaalsContact CD1-CD1 3.43Å; W149-F384 AromaticContact CD1-CE1 2.98Å; W149-F384 AromaticContact CD1-CZ 3.72Å; W149-F384 AromaticContact CD2-CD1 3.9Å; W149-F384 HydrophobicContact CD2-CD1 3.9Å; W149-F384 AromaticContact CD2-CE1 3.81Å; W149-F384 HydrophobicContact CD2-CE1 3.81Å; W149-F384 HydrophobicContact CD2-CE2 4.39Å; W149-F384 HydrophobicContact CD2-CG 4.3Å; W149-F384 HydrophobicContact CD2-CZ 4.04Å; W149-F384 AromaticContact CE2-CD1 3.94Å; W149-F384 AromaticContact CE2-CE1 3.37Å; W149-F384 AromaticContact CE2-CE2 3.75Å; W149-F384 AromaticContact CE2-CZ 3.23Å; W149-F384 AromaticContact CG-CD1 3.53Å; W149-F384 HydrophobicContact CG-CD1 3.53Å; W149-F384 AromaticContact CG-CE1 3.56Å; W149-F384 HydrophobicContact CG-CE1 3.56Å; W149-F384 HydrophobicContact CG-CG 4.31Å; W149-F384 HydrophobicContact CG-CZ 4.26Å; W149-F384 HydrophobicContact CZ2-CE1 4.19Å; W149-F384 AromaticContact CZ2-CE2 3.77Å; W149-F384 HydrophobicContact CZ2-CE2 3.77Å; W149-F384 AromaticContact CZ2-CZ 3.57Å; W149-F384 HydrophobicContact CZ2-CZ 3.57Å; W149-F384 AromaticContact NE1-CD1 3.71Å; W149-F384 AromaticContact NE1-CE1 2.88Å; W149-F384 AromaticContact NE1-CZ 3.08Å; T382-F384 PolarHBondContact O-N 2.99Å; T382-F384 VanDerWaalsContact O-N 3.12Å; F384-D386 PolarHBondContact O-N 3.37Å; F384-S387 PolarHBondContact O-N 3.08Å; F384-S387 PolarHBondContact O-OG 3.41Å; F384-K389 HydrophobicContact CB-CB 3.93Å; F384-K389 HydrophobicContact CD1-CB 3.75Å; F384-K389 HydrophobicContact CD1-CD 3.73Å; F384-K389 HydrophobicContact CD1-CG 4.36Å; F384-K389 HydrophobicContact CE1-CB 4.3Å; F384-K389 HydrophobicContact CE1-CD 3.57Å; F384-K389 HydrophobicContact CG-CB 3.87Å; F384-K389 HydrophobicContact CZ-CD 4.42Å; F384-G390 WeakPolarHBondContact O-CA 3.38Å; F384-G390 PolarHBondContact O-N 3.15Å
385Y95.7Very high96.3Very high9 Ų928.9 Ų28.94%0.03514%0.143CC..THydrogen-bonded Turntrans-60-16.3-173.158.6-108.2000114.9L195 R196 C379 T382 P383 Y483 M487L195-Y385 HydrophobicContact CD2-CE1 4.5Å; L195-Y385 HydrophobicContact CD2-CE2 4.12Å; R196-Y385 HydrophobicContact CB-CE1 4.42Å; R196-Y385 WeakPolarHBondContact CB-OH 3.48Å; R196-Y385 PolarHBondContact N-OH 3.19Å; C379-Y385 HydrophobicContact CB-CD1 4.09Å; C379-Y385 HydrophobicContact CB-CG 4.23Å; T382-Y385 WeakPolarHBondContact O-CB 3.48Å; T382-Y385 WeakPolarHBondContact O-CD1 3.38Å; T382-Y385 PolarHBondContact O-N 2.71Å; T382-Y385 VanDerWaalsContact O-N 3.09Å; P383-Y385 VanDerWaalsContact C-N 3.33Å; P383-Y385 PolarHBondContact O-N 3.31Å; Y385-Y483 HydrophobicContact CD2-CD1 4.11Å; Y385-Y483 AromaticContact CD2-CD2 3.92Å; Y385-Y483 HydrophobicContact CD2-CD2 3.92Å; Y385-Y483 HydrophobicContact CD2-CE2 4.49Å; Y385-Y483 AromaticContact CD2-CG 3.72Å; Y385-Y483 HydrophobicContact CD2-CG 3.72Å; Y385-Y483 HydrophobicContact CE2-CD1 4.07Å; Y385-Y483 AromaticContact CE2-CD2 3.7Å; Y385-Y483 HydrophobicContact CE2-CD2 3.7Å; Y385-Y483 HydrophobicContact CE2-CE1 4.19Å; Y385-Y483 AromaticContact CE2-CE2 3.83Å; Y385-Y483 HydrophobicContact CE2-CE2 3.83Å; Y385-Y483 AromaticContact CE2-CG 3.85Å; Y385-Y483 HydrophobicContact CE2-CG 3.85Å; Y385-M487 VanDerWaalsContact O-CG 3.27Å; Y385-M487 WeakPolarHBondContact O-CG 3.38Å
386D94.2Very high96.2Very high29 Ų2933 Ų3316%0.15516%0.158CC..THydrogen-bonded Turntrans-110.316.5-175.157.6-14.7000113.2R196 F384 I463 I467 Y483R196-D386 IonicContact CZ-OD1 3.02Å; R196-D386 IonicContact CZ-OD2 2.74Å; R196-D386 IonicContact NH1-OD1 3.59Å; R196-D386 IonicContact NH1-OD2 3.79Å; R196-D386 PolarHBondContact NH1-OD2 3.42Å; R196-D386 IonicContact NH2-OD1 3.57Å; R196-D386 PolarHBondContact NH2-OD1 3.02Å; R196-D386 IonicContact NH2-OD2 2.86Å; R196-D386 PolarHBondContact NH2-OD2 2.88Å; F384-D386 PolarHBondContact O-N 3.37Å; D386-I463 WeakPolarHBondContact O-CG2 3.27Å; D386-I467 HydrophobicContact CB-CD1 3.75Å; D386-I467 WeakPolarHBondContact O-CD1 3.31Å; D386-Y483 HydrophobicContact CB-CD1 3.91Å; D386-Y483 HydrophobicContact CB-CE1 4.14Å
387S94.3Very high96.2Very high31 Ų3138.9 Ų38.922%0.21719%0.185CC..SBendtrans-145.5164179.574.20000112.5F384 K389 G390 M487F384-S387 PolarHBondContact O-N 3.08Å; F384-S387 PolarHBondContact O-OG 3.41Å; S387-K389 PolarHBondContact O-N 3.37Å; S387-K389 PolarHBondContact OG-N 3.35Å; S387-G390 PolarHBondContact O-N 2.91Å; S387-M487 WeakPolarHBondContact O-CE 3.11Å
388I94.6Very high96.1Very high11 Ų1139.1 Ų39.16%0.05619%0.187CC..G310 helixtrans-55.6-25.3176.9-157.2168.8000113G390 A391 R396 L399 M400 P459 E460 I463I388-G390 PolarHBondContact O-N 2.89Å; I388-A391 WeakPolarHBondContact O-CB 3.39Å; I388-A391 PolarHBondContact O-N 3.1Å; I388-R396 HydrophobicContact CG1-CG 4.43Å; I388-L399 HydrophobicContact CD1-CB 4.35Å; I388-L399 HydrophobicContact CD1-CD1 4.22Å; I388-M400 HydrophobicContact CD1-SD 4.31Å; I388-P459 HydrophobicContact CD1-CB 4.12Å; I388-P459 HydrophobicContact CD1-CG 3.85Å; I388-E460 HydrophobicContact CB-CG 4.07Å; I388-E460 WeakPolarHBondContact CD1-OE1 3.38Å; I388-E460 HydrophobicContact CG2-CG 3.69Å; I388-E460 VanDerWaalsContact CG2-OE1 3.32Å; I388-E460 WeakPolarHBondContact CG2-OE1 3.3Å; I388-I463 HydrophobicContact CB-CD1 4.06Å
389K93.8Very high96.1Very high125 Ų12539.1 Ų39.154%0.54319%0.187SC..G310 helixtrans-64.1-24.7177.5-65.6-180179.6178.70112F384 S387 A391F384-K389 HydrophobicContact CB-CB 3.93Å; F384-K389 HydrophobicContact CD1-CB 3.75Å; F384-K389 HydrophobicContact CD1-CD 3.73Å; F384-K389 HydrophobicContact CD1-CG 4.36Å; F384-K389 HydrophobicContact CE1-CB 4.3Å; F384-K389 HydrophobicContact CE1-CD 3.57Å; F384-K389 HydrophobicContact CG-CB 3.87Å; F384-K389 HydrophobicContact CZ-CD 4.42Å; S387-K389 PolarHBondContact O-N 3.37Å; S387-K389 PolarHBondContact OG-N 3.35Å; K389-A391 VanDerWaalsContact C-N 3.34Å
390G94.6Very high96Very high1 Ų143.3 Ų43.31%0.0121%0.208CC..G310 helixtrans-79.1-9172.600000114.5R233 F384 S387 I388R233-G390 VanDerWaalsContact CZ-O 3.23Å; R233-G390 PolarHBondContact NH1-O 2.94Å; R233-G390 PolarHBondContact NH2-O 2.71Å; F384-G390 WeakPolarHBondContact O-CA 3.38Å; F384-G390 PolarHBondContact O-N 3.15Å; S387-G390 PolarHBondContact O-N 2.91Å; I388-G390 PolarHBondContact O-N 2.89Å
391A96.4Very high95.9Very high6 Ų646.3 Ų46.35%0.0523%0.229CC..SBendtrans-68.4162.4176.600000112.3I388 K389 R396 M487 C491I388-A391 WeakPolarHBondContact O-CB 3.39Å; I388-A391 PolarHBondContact O-N 3.1Å; K389-A391 VanDerWaalsContact C-N 3.34Å; A391-R396 HydrophobicContact CB-CB 4.44Å; A391-M487 HydrophobicContact CB-CE 4.39Å; A391-C491 HydrophobicContact CB-CB 3.76Å
392Y97Very high95.9Very high36 Ų3645 Ų4514%0.14122%0.223CC..  trans-73.9152.4168.2-66.6-76.6000110.5R233 E234 Y235 W394 A395 R396 V493R233-Y392 PolarHBondContact NE-OH 3.28Å; R233-Y392 VanDerWaalsContact NH2-CE2 3.26Å; E234-Y392 PolarHBondContact O-OH 2.83Å; Y235-Y392 VanDerWaalsContact CA-OH 3.31Å; Y235-Y392 WeakPolarHBondContact CA-OH 3.45Å; Y235-Y392 AromaticContact CD2-CD1 3.74Å; Y235-Y392 HydrophobicContact CD2-CD1 3.74Å; Y235-Y392 HydrophobicContact CD2-CD2 4.24Å; Y235-Y392 AromaticContact CD2-CE1 3.41Å; Y235-Y392 HydrophobicContact CD2-CE1 3.41Å; Y235-Y392 VanDerWaalsContact CD2-CE1 3.41Å; Y235-Y392 AromaticContact CD2-CE2 3.95Å; Y235-Y392 HydrophobicContact CD2-CE2 3.95Å; Y235-Y392 HydrophobicContact CD2-CG 4.16Å; Y235-Y392 AromaticContact CD2-CZ 3.53Å; Y235-Y392 AromaticContact CE2-CD1 3.76Å; Y235-Y392 HydrophobicContact CE2-CD1 3.76Å; Y235-Y392 AromaticContact CE2-CD2 3.89Å; Y235-Y392 HydrophobicContact CE2-CD2 3.89Å; Y235-Y392 AromaticContact CE2-CE1 3.91Å; Y235-Y392 HydrophobicContact CE2-CE1 3.91Å; Y235-Y392 HydrophobicContact CE2-CE2 4.04Å; Y235-Y392 AromaticContact CE2-CG 3.77Å; Y235-Y392 HydrophobicContact CE2-CG 3.77Å; Y235-Y392 HydrophobicContact CG-CE1 4.42Å; Y392-W394 VanDerWaalsContact C-N 3.32Å; Y392-W394 PolarHBondContact O-N 3.19Å; Y392-A395 PolarHBondContact O-N 3.22Å; Y392-R396 PolarHBondContact O-N 2.93Å; Y392-V493 HydrophobicContact CE2-CG1 4.43Å
393D97.1Very high95.7Very high93 Ų9346.5 Ų46.550%0.49723%0.234SC..Hα-helixtrans-52.1-47.9-175.9-64.1-36.5000112.7A395 R396 E397D393-A395 PolarHBondContact O-N 2.95Å; D393-A395 VanDerWaalsContact O-N 3.15Å; D393-R396 PolarHBondContact O-N 3.11Å; D393-R396 IonicContact OD1-CZ 2.87Å; D393-R396 IonicContact OD1-NH2 2.71Å; D393-R396 PolarHBondContact OD1-NH2 3.45Å; D393-E397 WeakPolarHBondContact O-CB 3.22Å; D393-E397 VanDerWaalsContact O-CG 3.3Å; D393-E397 WeakPolarHBondContact O-CG 3.02Å; D393-E397 PolarHBondContact O-N 3.08Å
394W97.4Very high95.6Very high57 Ų5749.7 Ų49.722%0.21625%0.252CS..Hα-helixtrans-55.3-37.9179.376.6-95.5000113.3Y235 Y392 S398 K506 I507Y235-W394 PolarHBondContact OH-NE1 3.47Å; Y235-W394 VanDerWaalsContact OH-NE1 3.13Å; Y392-W394 VanDerWaalsContact C-N 3.32Å; Y392-W394 PolarHBondContact O-N 3.19Å; W394-S398 VanDerWaalsContact O-CB 3.22Å; W394-S398 WeakPolarHBondContact O-CB 3.18Å; W394-S398 PolarHBondContact O-N 3.31Å; W394-K506 HydrophobicContact CE3-CB 4.28Å; W394-K506 HydrophobicContact CZ3-CB 3.89Å; W394-I507 HydrophobicContact CH2-CD1 3.95Å; W394-I507 HydrophobicContact CZ3-CD1 4.04Å
395A97.8Very high95.8Very high0 Ų049.3 Ų49.30%025%0.253CS..Hα-helixtrans-80.1-41.7-177.200000110.6Y392 D393 S398 L399 C491 I507Y392-A395 PolarHBondContact O-N 3.22Å; D393-A395 PolarHBondContact O-N 2.95Å; D393-A395 VanDerWaalsContact O-N 3.15Å; A395-S398 PolarHBondContact O-N 2.88Å; A395-L399 WeakPolarHBondContact O-CB 3.3Å; A395-L399 VanDerWaalsContact O-CG 3.28Å; A395-L399 WeakPolarHBondContact O-CG 3.48Å; A395-L399 PolarHBondContact O-N 2.95Å; A395-C491 WeakPolarHBondContact CB-O 3.34Å; A395-I507 HydrophobicContact CB-CD1 3.94Å
396R97.1Very high95.8Very high87 Ų8756.6 Ų56.633%0.32828%0.284SS..Hα-helixtrans-61-50.7175.8-177.4170.761.2-157.22.3110.7I388 A391 Y392 D393 S398 L399 M400I388-R396 HydrophobicContact CG1-CG 4.43Å; A391-R396 HydrophobicContact CB-CB 4.44Å; Y392-R396 PolarHBondContact O-N 2.93Å; D393-R396 PolarHBondContact O-N 3.11Å; D393-R396 IonicContact OD1-CZ 2.87Å; D393-R396 IonicContact OD1-NH2 2.71Å; D393-R396 PolarHBondContact OD1-NH2 3.45Å; R396-S398 PolarHBondContact O-N 3.1Å; R396-L399 PolarHBondContact O-N 3.25Å; R396-M400 HydrophobicContact CG-CG 4.41Å; R396-M400 WeakPolarHBondContact O-CB 3.25Å; R396-M400 WeakPolarHBondContact O-CG 3.31Å; R396-M400 PolarHBondContact O-N 3.05Å
397E97.5Very high95.9Very high124 Ų12456.1 Ų56.158%0.57928%0.28SS*.Hα-helixtrans-56.6-49.9176.7-71.6168.3-167.500111.2D393 L399 M400 T401D393-E397 WeakPolarHBondContact O-CB 3.22Å; D393-E397 VanDerWaalsContact O-CG 3.3Å; D393-E397 WeakPolarHBondContact O-CG 3.02Å; D393-E397 PolarHBondContact O-N 3.08Å; E397-L399 PolarHBondContact O-N 2.83Å; E397-M400 PolarHBondContact O-N 3.48Å; E397-T401 PolarHBondContact O-N 3.32Å; E397-T401 PolarHBondContact O-OG1 2.66Å; E397-T401 VanDerWaalsContact O-OG1 3.09Å
398S98Very high95.9Very high7 Ų760.3 Ų60.35%0.04930%0.3CS..Hα-helixtrans-62.8-41-179-169.10000112.8W394 A395 R396 H402 G505 K506W394-S398 VanDerWaalsContact O-CB 3.22Å; W394-S398 WeakPolarHBondContact O-CB 3.18Å; W394-S398 PolarHBondContact O-N 3.31Å; A395-S398 PolarHBondContact O-N 2.88Å; R396-S398 PolarHBondContact O-N 3.1Å; S398-H402 PolarHBondContact O-CD2 2.9Å; S398-H402 VanDerWaalsContact O-CD2 3.31Å; S398-H402 PolarHBondContact O-N 2.91Å; S398-G505 VanDerWaalsContact OG-CA 3.31Å; S398-G505 WeakPolarHBondContact OG-CA 3.29Å; S398-K506 PolarHBondContact OG-N 2.75Å
399L97.8Very high96Very high1 Ų162 Ų621%0.00531%0.312CS..Hα-helixtrans-66.4-40.5175.2-76.7172.6000112.2I388 A395 R396 E397 H402 S403 L452 P459 C491 I507I388-L399 HydrophobicContact CD1-CB 4.35Å; I388-L399 HydrophobicContact CD1-CD1 4.22Å; A395-L399 WeakPolarHBondContact O-CB 3.3Å; A395-L399 VanDerWaalsContact O-CG 3.28Å; A395-L399 WeakPolarHBondContact O-CG 3.48Å; A395-L399 PolarHBondContact O-N 2.95Å; R396-L399 PolarHBondContact O-N 3.25Å; E397-L399 PolarHBondContact O-N 2.83Å; L399-H402 CarbonylContact O-C 3.4Å; L399-H402 PolarHBondContact O-N 3.32Å; L399-S403 PolarHBondContact O-N 3.26Å; L399-L452 HydrophobicContact CD2-CD1 4.14Å; L399-L452 HydrophobicContact CD2-CD2 4.13Å; L399-P459 HydrophobicContact CB-CB 4.47Å; L399-P459 HydrophobicContact CB-CG 4.15Å; L399-P459 HydrophobicContact CD1-CB 4.18Å; L399-P459 HydrophobicContact CD2-CB 4.22Å; L399-C491 HydrophobicContact CD1-CB 4.43Å; L399-I507 HydrophobicContact CD1-CG1 4.42Å; L399-I507 HydrophobicContact CD2-CG1 3.84Å; L399-I507 HydrophobicContact CG-CD1 4.46Å; L399-I507 HydrophobicContact CG-CG1 4.05Å
400M95.1Very high96.1Very high87 Ų8758.7 Ų58.743%0.42931%0.308SS..Hα-helixtrans-67.2-38178.9-69.9-51.1-61.100112.1I388 R396 E397 H402 S403I388-M400 HydrophobicContact CD1-SD 4.31Å; R396-M400 HydrophobicContact CG-CG 4.41Å; R396-M400 WeakPolarHBondContact O-CB 3.25Å; R396-M400 WeakPolarHBondContact O-CG 3.31Å; R396-M400 PolarHBondContact O-N 3.05Å; E397-M400 PolarHBondContact O-N 3.48Å; M400-H402 PolarHBondContact O-N 2.82Å; M400-S403 VanDerWaalsContact O-CB 3.27Å; M400-S403 WeakPolarHBondContact O-CB 3.21Å; M400-S403 PolarHBondContact O-N 3.18Å; M400-S403 VanDerWaalsContact O-N 3.13Å; M400-S403 PolarHBondContact O-OG 3.15Å
401T97.1Very high96.3Very high96 Ų9660.4 Ų60.459%0.58932%0.315SS*.Hα-helixtrans-58-36.9173.5-62.10000111.9E397E397-T401 PolarHBondContact O-N 3.32Å; E397-T401 PolarHBondContact O-OG1 2.66Å; E397-T401 VanDerWaalsContact O-OG1 3.09Å
402H97Very high96.2Very high26 Ų2662.5 Ų62.512%0.1233%0.329CS..THydrogen-bonded Turntrans-98.313.1179.6-70.5-78.7000113.4S398 L399 M400 T404 D405 R407 E500 G505S398-H402 PolarHBondContact O-CD2 2.9Å; S398-H402 VanDerWaalsContact O-CD2 3.31Å; S398-H402 PolarHBondContact O-N 2.91Å; L399-H402 CarbonylContact O-C 3.4Å; L399-H402 PolarHBondContact O-N 3.32Å; M400-H402 PolarHBondContact O-N 2.82Å; H402-T404 PolarHBondContact O-N 3Å; H402-D405 IonicContact CE1-OD2 3.11Å; H402-D405 IonicContact CG-OD2 3.7Å; H402-D405 IonicContact ND1-OD1 2.74Å; H402-D405 IonicContact ND1-OD2 3.92Å; H402-D405 PolarHBondContact ND1-OD2 2.98Å; H402-D405 PolarHBondContact O-N 3.18Å; H402-R407 PolarHBondContact O-NH1 3Å; H402-R407 PolarHBondContact O-NH2 3.43Å; H402-E500 IonicContact NE2-OE1 3.66Å; H402-E500 PolarHBondContact NE2-OE1 3.31Å; H402-G505 WeakPolarHBondContact CD2-CA 3.07Å
403S92.4Very high96.1Very high41 Ų4164.7 Ų64.729%0.28734%0.339SS..THydrogen-bonded Turntrans-65-24-177.660.90000113.2L399 M400 R407L399-S403 PolarHBondContact O-N 3.26Å; M400-S403 VanDerWaalsContact O-CB 3.27Å; M400-S403 WeakPolarHBondContact O-CB 3.21Å; M400-S403 PolarHBondContact O-N 3.18Å; M400-S403 VanDerWaalsContact O-N 3.13Å; M400-S403 PolarHBondContact O-OG 3.15Å; S403-R407 VanDerWaalsContact C-NH1 3.33Å; S403-R407 PolarHBondContact O-NH1 3.38Å
404T89.5Confident96Very high125 Ų12564.5 Ų64.577%0.76734%0.342SS*.THydrogen-bonded Turntrans-102.40.3-178.155.50000114.4H402H402-T404 PolarHBondContact O-N 3Å
405D96.7Very high96Very high43 Ų4365.1 Ų65.123%0.2335%0.347CS..SBendtrans-56.9143.5177.3-73.14.7000111.3H402 R407 P502 I503H402-D405 IonicContact CE1-OD2 3.11Å; H402-D405 IonicContact CG-OD2 3.7Å; H402-D405 IonicContact ND1-OD1 2.74Å; H402-D405 IonicContact ND1-OD2 3.92Å; H402-D405 PolarHBondContact ND1-OD2 2.98Å; H402-D405 PolarHBondContact O-N 3.18Å; D405-R407 WeakPolarHBondContact O-CD 3.24Å; D405-R407 PolarHBondContact O-N 2.9Å; D405-R407 PolarHBondContact O-NH1 3.05Å; D405-P502 WeakPolarHBondContact OD2-CA 3.49Å; D405-I503 HydrophobicContact CB-CG1 3.94Å; D405-I503 PolarHBondContact OD2-N 3.13Å
406K96.3Very high95.9Very high162 Ų16265.1 Ų65.170%0.70435%0.347SS*.PPolyproline II helixtrans-68.6125.7175.9-173.2-172.3171.8-150.90109.9D408K406-D408 IonicContact NZ-OD2 2.8Å; K406-D408 PolarHBondContact NZ-OD2 3.19Å
407R96.8Very high95.9Very high19 Ų1962.2 Ų62.27%0.07234%0.337CS..PPolyproline II helixtrans-92.3124.9169.8-75.168175.9-179.34.8108.8H402 S403 D405 A410 E453 I503H402-R407 PolarHBondContact O-NH1 3Å; H402-R407 PolarHBondContact O-NH2 3.43Å; S403-R407 VanDerWaalsContact C-NH1 3.33Å; S403-R407 PolarHBondContact O-NH1 3.38Å; D405-R407 WeakPolarHBondContact O-CD 3.24Å; D405-R407 PolarHBondContact O-N 2.9Å; D405-R407 PolarHBondContact O-NH1 3.05Å; R407-A410 HydrophobicContact CB-CB 4.38Å; R407-E453 VanDerWaalsContact CG-O 3.32Å; R407-E453 WeakPolarHBondContact CG-O 2.9Å; R407-I503 HydrophobicContact CG-CD1 4.01Å; R407-I503 HydrophobicContact CG-CG1 4.21Å; R407-I503 HydrophobicContact CG-CG2 4.36Å
408D94.2Very high95.8Very high119 Ų11959 Ų5964%0.63633%0.326SS*.SBendtrans-151.1108.8179.8-162.1-13000109.3K406K406-D408 IonicContact NZ-OD2 2.8Å; K406-D408 PolarHBondContact NZ-OD2 3.19Å
409P96.1Very high95.8Very high47 Ų4759 Ų5931%0.30533%0.326SS..SBendcis-71.1157.2331.6-36.3000112.8Y411P409-Y411 HydrophobicContact CB-CD2 4.41Å; P409-Y411 HydrophobicContact CB-CE1 4.21Å; P409-Y411 HydrophobicContact CB-CE2 3.75Å; P409-Y411 HydrophobicContact CG-CD2 4.27Å; P409-Y411 HydrophobicContact CG-CE2 3.41Å; P409-Y411 VanDerWaalsContact CG-CE2 3.41Å; P409-Y411 WeakPolarHBondContact CG-OH 3.31Å
410A96.4Very high95.7Very high55 Ų5564.9 Ų64.946%0.45535%0.354SS..  trans-116.8106.2170.300000109.4R407 W454 A456R407-A410 HydrophobicContact CB-CB 4.38Å; A410-W454 VanDerWaalsContact CA-O 3.29Å; A410-W454 WeakPolarHBondContact CA-O 3.39Å; A410-A456 HydrophobicContact CB-CB 3.97Å
411Y97.5Very high95.8Very high38 Ų3861.5 Ų61.515%0.14934%0.338CS..  trans-95.6142.1-178.1-64.6-64000111P409 Q415 T421 G422 W454P409-Y411 HydrophobicContact CB-CD2 4.41Å; P409-Y411 HydrophobicContact CB-CE1 4.21Å; P409-Y411 HydrophobicContact CB-CE2 3.75Å; P409-Y411 HydrophobicContact CG-CD2 4.27Å; P409-Y411 HydrophobicContact CG-CE2 3.41Å; P409-Y411 VanDerWaalsContact CG-CE2 3.41Å; P409-Y411 WeakPolarHBondContact CG-OH 3.31Å; Y411-Q415 HydrophobicContact CD1-CB 4.35Å; Y411-T421 HydrophobicContact CD1-CG2 4.45Å; Y411-T421 HydrophobicContact CD2-CG2 3.77Å; Y411-T421 HydrophobicContact CE2-CG2 3.95Å; Y411-T421 HydrophobicContact CG-CG2 4.06Å; Y411-G422 PolarHBondContact OH-N 3.01Å; Y411-W454 HydrophobicContact CD2-CB 3.86Å; Y411-W454 AromaticContact CD2-CD2 3.64Å; Y411-W454 HydrophobicContact CD2-CD2 3.64Å; Y411-W454 AromaticContact CD2-CE3 3.62Å; Y411-W454 HydrophobicContact CD2-CE3 3.62Å; Y411-W454 AromaticContact CD2-CG 3.76Å; Y411-W454 HydrophobicContact CD2-CG 3.76Å; Y411-W454 HydrophobicContact CD2-CZ3 4.34Å; Y411-W454 AromaticContact CE2-CD2 3.82Å; Y411-W454 HydrophobicContact CE2-CD2 3.82Å; Y411-W454 AromaticContact CE2-CE3 3.99Å; Y411-W454 HydrophobicContact CE2-CE3 3.99Å; Y411-W454 HydrophobicContact CE2-CG 4.1Å; Y411-W454 HydrophobicContact CE2-CZ3 4.41Å; Y411-W454 PolarHBondContact N-O 3.32Å
412S95.7Very high95.7Very high49 Ų4960.3 Ų60.334%0.34335%0.345SS..  trans-70.6159.1170.364.50000111.6T414 Q415 M416S412-T414 PolarHBondContact O-N 3.06Å; S412-Q415 PolarHBondContact O-N 3.24Å; S412-Q415 VanDerWaalsContact O-N 3.11Å; S412-Q415 WeakPolarHBondContact OG-CG 3.35Å; S412-Q415 PolarHBondContact OG-N 3.2Å; S412-Q415 PolarHBondContact OG-OE1 2.78Å; S412-Q415 VanDerWaalsContact OG-OE1 3.07Å; S412-M416 PolarHBondContact O-N 2.88Å
413K94.5Very high95.8Very high82 Ų8259.8 Ų59.836%0.35734%0.343SS..Hα-helixtrans-49.5-43.5170.4-179.6-174.3174.6-171.90111.6M416 E417 I465K413-M416 PolarHBondContact O-N 3.28Å; K413-E417 WeakPolarHBondContact O-CB 3.28Å; K413-E417 PolarHBondContact O-N 2.83Å; K413-I465 HydrophobicContact CB-CD1 4.25Å; K413-I465 HydrophobicContact CB-CG1 4.29Å; K413-I465 HydrophobicContact CG-CG1 4.21Å; K413-I465 HydrophobicContact CG-CG2 4.43Å
414T95.6Very high96Very high90 Ų9060.9 Ų60.955%0.55235%0.346SS*.Hα-helixtrans-63.7-45.5179.5-55.90000112S412 M416 E417 T418S412-T414 PolarHBondContact O-N 3.06Å; T414-M416 VanDerWaalsContact C-N 3.29Å; T414-M416 PolarHBondContact O-N 2.8Å; T414-E417 PolarHBondContact O-N 2.76Å; T414-T418 HydrophobicContact CG2-CG2 4.41Å; T414-T418 WeakPolarHBondContact O-CG2 3.23Å; T414-T418 PolarHBondContact O-N 3.22Å; T414-T418 PolarHBondContact O-OG1 3.48Å
415Q96.5Very high96.4Very high69 Ų6955 Ų5532%0.32231%0.309SS..Hα-helixtrans-62.6-37.7176.7-73.8169.8-63.900112.1Y411 S412 A419 Q420Y411-Q415 HydrophobicContact CD1-CB 4.35Å; S412-Q415 PolarHBondContact O-N 3.24Å; S412-Q415 VanDerWaalsContact O-N 3.11Å; S412-Q415 WeakPolarHBondContact OG-CG 3.35Å; S412-Q415 PolarHBondContact OG-N 3.2Å; S412-Q415 PolarHBondContact OG-OE1 2.78Å; S412-Q415 VanDerWaalsContact OG-OE1 3.07Å; Q415-A419 PolarHBondContact O-N 3.01Å; Q415-Q420 HydrophobicContact CB-CB 4.47Å; Q415-Q420 PolarHBondContact O-N 2.95Å
416M96.6Very high96.5Very high0 Ų052.9 Ų52.90%030%0.298CS..Hα-helixtrans-66-49.2173.2-68.9-173.1-167.300110.8S412 K413 T414 T418 A419 W426 Q430 I451 W454 I465S412-M416 PolarHBondContact O-N 2.88Å; K413-M416 PolarHBondContact O-N 3.28Å; T414-M416 VanDerWaalsContact C-N 3.29Å; T414-M416 PolarHBondContact O-N 2.8Å; M416-T418 VanDerWaalsContact C-N 3.33Å; M416-T418 PolarHBondContact O-N 2.74Å; M416-A419 PolarHBondContact O-N 2.76Å; M416-A419 VanDerWaalsContact O-N 3.14Å; M416-W426 HydrophobicContact CB-CH2 3.55Å; M416-W426 HydrophobicContact CB-CZ2 4.2Å; M416-W426 HydrophobicContact CB-CZ3 4.25Å; M416-W426 HydrophobicContact CG-CH2 4.05Å; M416-W426 HydrophobicContact CG-CZ2 4.36Å; M416-W426 WeakPolarHBondContact O-CH2 3.39Å; M416-W426 WeakPolarHBondContact O-CZ3 3.45Å; M416-Q430 WeakPolarHBondContact O-CG 3.28Å; M416-I451 HydrophobicContact SD-CB 4.33Å; M416-I451 HydrophobicContact SD-CG1 3.92Å; M416-I451 HydrophobicContact SD-CG2 4.07Å; M416-W454 HydrophobicContact CE-CB 3.64Å; M416-W454 HydrophobicContact CE-CE3 4.49Å; M416-I465 HydrophobicContact SD-CG2 4.16Å
417E95.5Very high96.6Very high26 Ų2646 Ų4612%0.12127%0.269CS..Hα-helixtrans-58.7-42.1-178.8-172.3162.2-159.900112.6K413 T414 A419 Q430 Y468 L469 R472 Y473K413-E417 WeakPolarHBondContact O-CB 3.28Å; K413-E417 PolarHBondContact O-N 2.83Å; T414-E417 PolarHBondContact O-N 2.76Å; E417-A419 VanDerWaalsContact C-N 3.31Å; E417-A419 PolarHBondContact O-N 2.8Å; E417-Q430 PolarHBondContact O-NE2 2.91Å; E417-Y468 VanDerWaalsContact OE1-CE1 3.23Å; E417-Y468 WeakPolarHBondContact OE1-CE1 3.43Å; E417-Y468 PolarHBondContact OE1-OH 2.87Å; E417-Y468 PolarHBondContact OE2-OH 3.12Å; E417-L469 HydrophobicContact CB-CD2 3.76Å; E417-L469 HydrophobicContact CG-CD2 3.67Å; E417-R472 IonicContact OE1-NE 3.49Å; E417-R472 PolarHBondContact OE1-NE 3.07Å; E417-Y473 HydrophobicContact CG-CE2 4.04Å; E417-Y473 WeakPolarHBondContact CG-OH 3.48Å; E417-Y473 PolarHBondContact OE1-OH 3Å
418T95.9Very high96.6Very high57 Ų5745 Ų4535%0.3527%0.265SS..THydrogen-bonded Turntrans-866.5-18062.70000114.4T414 M416 Q420T414-T418 HydrophobicContact CG2-CG2 4.41Å; T414-T418 WeakPolarHBondContact O-CG2 3.23Å; T414-T418 PolarHBondContact O-N 3.22Å; T414-T418 PolarHBondContact O-OG1 3.48Å; M416-T418 VanDerWaalsContact C-N 3.33Å; M416-T418 PolarHBondContact O-N 2.74Å; T418-Q420 PolarHBondContact O-N 3.11Å; T418-Q420 VanDerWaalsContact OG1-CD 3.31Å; T418-Q420 WeakPolarHBondContact OG1-CG 3.46Å; T418-Q420 PolarHBondContact OG1-OE1 2.83Å
419A97.6Very high96.8Very high6 Ų639.4 Ų39.45%0.0524%0.235CC..THydrogen-bonded Turntrans58.143179.500000114Q415 M416 E417 N427 Q430 R431Q415-A419 PolarHBondContact O-N 3.01Å; M416-A419 PolarHBondContact O-N 2.76Å; M416-A419 VanDerWaalsContact O-N 3.14Å; E417-A419 VanDerWaalsContact C-N 3.31Å; E417-A419 PolarHBondContact O-N 2.8Å; A419-N427 VanDerWaalsContact C-OD1 3.24Å; A419-N427 HydrophobicContact CB-CB 4.01Å; A419-N427 PolarHBondContact O-ND2 2.98Å; A419-N427 PolarHBondContact O-OD1 2.98Å; A419-N427 VanDerWaalsContact O-OD1 3.09Å; A419-Q430 HydrophobicContact CB-CB 4.01Å; A419-Q430 HydrophobicContact CB-CG 3.91Å; A419-R431 HydrophobicContact CB-CG 3.72Å
420Q96.4Very high96.9Very high126 Ų12637.1 Ų37.159%0.58922%0.22SC*.  trans-108.648.5-178.5-66.6-179.6-14.700112.2Q415 T418Q415-Q420 HydrophobicContact CB-CB 4.47Å; Q415-Q420 PolarHBondContact O-N 2.95Å; T418-Q420 PolarHBondContact O-N 3.11Å; T418-Q420 VanDerWaalsContact OG1-CD 3.31Å; T418-Q420 WeakPolarHBondContact OG1-CG 3.46Å; T418-Q420 PolarHBondContact OG1-OE1 2.83Å
421T96.7Very high97Very high15 Ų1535.2 Ų35.29%0.09220%0.201CC..SBendtrans-99.1171.1173.779.90000111.4Y411 D423 W426 N427 W454Y411-T421 HydrophobicContact CD1-CG2 4.45Å; Y411-T421 HydrophobicContact CD2-CG2 3.77Å; Y411-T421 HydrophobicContact CE2-CG2 3.95Å; Y411-T421 HydrophobicContact CG-CG2 4.06Å; T421-D423 PolarHBondContact O-N 3.29Å; T421-D423 PolarHBondContact OG1-N 3.18Å; T421-D423 PolarHBondContact OG1-O 3.46Å; T421-W426 HydrophobicContact CG2-CD2 4.36Å; T421-W426 HydrophobicContact CG2-CE3 3.62Å; T421-W426 HydrophobicContact CG2-CZ3 3.82Å; T421-N427 WeakPolarHBondContact CB-OD1 3.45Å; T421-N427 PolarHBondContact N-OD1 2.75Å; T421-N427 PolarHBondContact O-ND2 3.35Å; T421-N427 PolarHBondContact OG1-OD1 2.95Å; T421-W454 HydrophobicContact CG2-CE3 4.25Å; T421-W454 HydrophobicContact CG2-CZ3 3.84Å
422G96.6Very high97Very high72 Ų7234.3 Ų34.374%0.74220%0.199SC*.SBendtrans-79.63172.600000114.1Y411Y411-G422 PolarHBondContact OH-N 3.01Å
423D97.7Very high97Very high15 Ų1532 Ų328%0.0818%0.183CC..  trans-111.1104.9-178.2-173-42.5000109.7T421 L425 W426 N427 Y446 W454 Y512T421-D423 PolarHBondContact O-N 3.29Å; T421-D423 PolarHBondContact OG1-N 3.18Å; T421-D423 PolarHBondContact OG1-O 3.46Å; D423-L425 VanDerWaalsContact C-N 3.3Å; D423-L425 PolarHBondContact O-N 3.16Å; D423-L425 WeakPolarHBondContact OD1-CB 3.27Å; D423-L425 PolarHBondContact OD1-N 3.37Å; D423-L425 VanDerWaalsContact OD1-N 3.16Å; D423-W426 HydrophobicContact CB-CB 3.86Å; D423-W426 PolarHBondContact O-N 2.84Å; D423-W426 PolarHBondContact OD1-N 3.27Å; D423-N427 WeakPolarHBondContact O-CB 3.33Å; D423-N427 PolarHBondContact O-N 3.03Å; D423-N427 PolarHBondContact O-ND2 2.98Å; D423-Y446 PolarHBondContact OD2-OH 3.47Å; D423-W454 HydrophobicContact CB-CH2 3.59Å; D423-W454 HydrophobicContact CB-CZ2 3.92Å; D423-Y512 WeakPolarHBondContact OD1-CD2 3.27Å
424D97.4Very high97.1Very high64 Ų6429.1 Ų29.134%0.34217%0.172SC..Hα-helixtrans-64.5-32.1-176.967.8-29.1000112.9A428 Y512 V525D424-A428 VanDerWaalsContact O-CB 3.28Å; D424-A428 WeakPolarHBondContact O-CB 3.4Å; D424-A428 PolarHBondContact O-N 3.27Å; D424-Y512 WeakPolarHBondContact OD1-CE2 3.18Å; D424-Y512 PolarHBondContact OD1-OH 3.31Å; D424-Y512 PolarHBondContact OD2-OH 3.39Å; D424-V525 HydrophobicContact CB-CG1 4.35Å
425L98Very high97.1Very high0 Ų028.1 Ų28.10%016%0.162CC..Hα-helixtrans-68.1-45174.9175.965.3000111.1D423 N427 A428 A429 L443 Y446 Y512 C515 F519 V521 F524D423-L425 VanDerWaalsContact C-N 3.3Å; D423-L425 PolarHBondContact O-N 3.16Å; D423-L425 WeakPolarHBondContact OD1-CB 3.27Å; D423-L425 PolarHBondContact OD1-N 3.37Å; D423-L425 VanDerWaalsContact OD1-N 3.16Å; L425-N427 VanDerWaalsContact C-N 3.35Å; L425-A428 PolarHBondContact O-N 2.84Å; L425-A429 WeakPolarHBondContact O-CB 3.4Å; L425-A429 PolarHBondContact O-N 3.47Å; L425-L443 HydrophobicContact CD1-CD2 3.8Å; L425-L443 HydrophobicContact CD2-CD2 4.45Å; L425-L443 HydrophobicContact CG-CD2 4.27Å; L425-Y446 HydrophobicContact CB-CE1 4.37Å; L425-Y446 HydrophobicContact CD2-CD1 4.08Å; L425-Y446 HydrophobicContact CD2-CE1 3.83Å; L425-Y446 HydrophobicContact CD2-CE2 4.44Å; L425-Y446 HydrophobicContact CD2-CG 4.49Å; L425-Y446 HydrophobicContact CG-CD1 4.28Å; L425-Y446 HydrophobicContact CG-CE1 4.04Å; L425-Y512 HydrophobicContact CB-CD2 3.94Å; L425-Y512 HydrophobicContact CB-CE2 3.51Å; L425-Y512 HydrophobicContact CD2-CD2 4.48Å; L425-C515 HydrophobicContact CD2-CB 3.57Å; L425-F519 HydrophobicContact CD1-CE2 4.01Å; L425-F519 HydrophobicContact CD1-CZ 4Å; L425-F519 HydrophobicContact CD2-CZ 4.14Å; L425-V521 HydrophobicContact CB-CG1 3.84Å; L425-V521 HydrophobicContact CD1-CG1 3.95Å; L425-V521 HydrophobicContact CD1-CG2 4.49Å; L425-V521 HydrophobicContact CD2-CG1 4.46Å; L425-V521 HydrophobicContact CD2-CG2 4.25Å; L425-V521 HydrophobicContact CG-CG1 4.29Å; L425-F524 HydrophobicContact CD1-CD1 3.87Å; L425-F524 HydrophobicContact CD1-CE1 4.36Å
426W98.3Very high97.1Very high0 Ų028.5 Ų28.50%016%0.163CC..Hα-helixtrans-62.6-45.3176.4-167.594.8000110.8M416 T421 D423 A428 A429 Q430 Y446 W447 K450 I451 W454M416-W426 HydrophobicContact CB-CH2 3.55Å; M416-W426 HydrophobicContact CB-CZ2 4.2Å; M416-W426 HydrophobicContact CB-CZ3 4.25Å; M416-W426 HydrophobicContact CG-CH2 4.05Å; M416-W426 HydrophobicContact CG-CZ2 4.36Å; M416-W426 WeakPolarHBondContact O-CH2 3.39Å; M416-W426 WeakPolarHBondContact O-CZ3 3.45Å; T421-W426 HydrophobicContact CG2-CD2 4.36Å; T421-W426 HydrophobicContact CG2-CE3 3.62Å; T421-W426 HydrophobicContact CG2-CZ3 3.82Å; D423-W426 HydrophobicContact CB-CB 3.86Å; D423-W426 PolarHBondContact O-N 2.84Å; D423-W426 PolarHBondContact OD1-N 3.27Å; W426-A428 PolarHBondContact O-N 3.39Å; W426-A429 WeakPolarHBondContact O-CB 3.37Å; W426-A429 PolarHBondContact O-N 2.87Å; W426-Q430 HydrophobicContact CE3-CB 4.15Å; W426-Q430 HydrophobicContact CH2-CB 4.08Å; W426-Q430 HydrophobicContact CH2-CG 4.16Å; W426-Q430 HydrophobicContact CZ3-CB 3.72Å; W426-Q430 HydrophobicContact CZ3-CG 4.01Å; W426-Q430 PolarHBondContact O-N 3.38Å; W426-Y446 HydrophobicContact CB-CE1 4.06Å; W426-W447 AromaticContact CE2-CD1 3.35Å; W426-W447 AromaticContact CE2-NE1 3.74Å; W426-W447 AromaticContact CH2-NE1 3.75Å; W426-W447 AromaticContact CZ2-CD1 3.4Å; W426-W447 HydrophobicContact CZ2-CG 4.3Å; W426-W447 AromaticContact CZ2-NE1 3.24Å; W426-W447 AromaticContact NE1-CD1 3.42Å; W426-W447 AromaticContact NE1-CG 3.79Å; W426-W447 PolarHBondContact NE1-O 3.24Å; W426-K450 HydrophobicContact CG-CB 4.3Å; W426-I451 HydrophobicContact CZ2-CD1 4.25Å; W426-I451 HydrophobicContact CZ2-CG1 3.87Å; W426-W454 HydrophobicContact CB-CH2 3.73Å; W426-W454 HydrophobicContact CB-CZ3 4.04Å; W426-W454 AromaticContact CD1-CH2 3.85Å; W426-W454 AromaticContact CD1-CZ3 3.63Å; W426-W454 HydrophobicContact CD2-CH2 4.24Å; W426-W454 AromaticContact CD2-CZ3 3.61Å; W426-W454 HydrophobicContact CD2-CZ3 3.61Å; W426-W454 AromaticContact CE2-CZ3 3.86Å; W426-W454 HydrophobicContact CE3-CZ3 4.24Å; W426-W454 AromaticContact CG-CH2 3.64Å; W426-W454 HydrophobicContact CG-CH2 3.64Å; W426-W454 AromaticContact CG-CZ3 3.47Å; W426-W454 HydrophobicContact CG-CZ3 3.47Å; W426-W454 VanDerWaalsContact CG-CZ3 3.47Å; W426-W454 AromaticContact NE1-CZ3 3.81Å
427N98.2Very high97.2Very high16 Ų1628.5 Ų28.59%0.08616%0.163CC..Hα-helixtrans-59.7-45.6176.3-66.2-18.3000111A419 T421 D423 L425 A429 Q430 R431A419-N427 VanDerWaalsContact C-OD1 3.24Å; A419-N427 HydrophobicContact CB-CB 4.01Å; A419-N427 PolarHBondContact O-ND2 2.98Å; A419-N427 PolarHBondContact O-OD1 2.98Å; A419-N427 VanDerWaalsContact O-OD1 3.09Å; T421-N427 WeakPolarHBondContact CB-OD1 3.45Å; T421-N427 PolarHBondContact N-OD1 2.75Å; T421-N427 PolarHBondContact O-ND2 3.35Å; T421-N427 PolarHBondContact OG1-OD1 2.95Å; D423-N427 WeakPolarHBondContact O-CB 3.33Å; D423-N427 PolarHBondContact O-N 3.03Å; D423-N427 PolarHBondContact O-ND2 2.98Å; L425-N427 VanDerWaalsContact C-N 3.35Å; N427-A429 VanDerWaalsContact C-N 3.33Å; N427-A429 PolarHBondContact O-N 3.5Å; N427-Q430 PolarHBondContact O-N 2.93Å; N427-R431 WeakPolarHBondContact O-CB 3.32Å; N427-R431 VanDerWaalsContact O-CG 3.24Å; N427-R431 WeakPolarHBondContact O-CG 3.05Å; N427-R431 PolarHBondContact O-N 3.28Å
428A97.9Very high97.3Very high0 Ų028.8 Ų28.80%016%0.164CC..Hα-helixtrans-62.7-37.8176.400000112.9D424 L425 W426 R431 Q432 F524 V525 Y528D424-A428 VanDerWaalsContact O-CB 3.28Å; D424-A428 WeakPolarHBondContact O-CB 3.4Å; D424-A428 PolarHBondContact O-N 3.27Å; L425-A428 PolarHBondContact O-N 2.84Å; W426-A428 PolarHBondContact O-N 3.39Å; A428-R431 PolarHBondContact O-N 2.92Å; A428-Q432 WeakPolarHBondContact O-CB 3.2Å; A428-Q432 PolarHBondContact O-N 3.49Å; A428-F524 HydrophobicContact CB-CD1 4.04Å; A428-F524 HydrophobicContact CB-CE1 3.71Å; A428-V525 HydrophobicContact CB-CB 4.24Å; A428-V525 HydrophobicContact CB-CG1 4.42Å; A428-V525 HydrophobicContact CB-CG2 3.86Å; A428-Y528 HydrophobicContact CB-CD2 4.43Å
429A98.1Very high97.4Very high0 Ų026.3 Ų26.30%015%0.148CC..Hα-helixtrans-64.3-45.4174.600000111.6L425 W426 N427 R431 Q432 L433 M439 L443L425-A429 WeakPolarHBondContact O-CB 3.4Å; L425-A429 PolarHBondContact O-N 3.47Å; W426-A429 WeakPolarHBondContact O-CB 3.37Å; W426-A429 PolarHBondContact O-N 2.87Å; N427-A429 VanDerWaalsContact C-N 3.33Å; N427-A429 PolarHBondContact O-N 3.5Å; A429-R431 PolarHBondContact O-N 3.35Å; A429-Q432 WeakPolarHBondContact O-CB 3.39Å; A429-Q432 PolarHBondContact O-N 3.19Å; A429-L433 PolarHBondContact O-N 3.19Å; A429-M439 HydrophobicContact CB-CE 4.44Å; A429-M439 HydrophobicContact CB-CG 4.42Å; A429-M439 HydrophobicContact CB-SD 3.97Å; A429-M439 WeakPolarHBondContact O-CE 3.37Å; A429-L443 HydrophobicContact CB-CB 3.98Å; A429-L443 HydrophobicContact CB-CD1 4.08Å; A429-L443 HydrophobicContact CB-CG 4.48Å
430Q98.2Very high97.4Very high0 Ų026.6 Ų26.60%015%0.149CC..Hα-helixtrans-61.6-43.2175.1178.163.813.100111.3M416 E417 A419 W426 N427 Q432 L433 V434M416-Q430 WeakPolarHBondContact O-CG 3.28Å; E417-Q430 PolarHBondContact O-NE2 2.91Å; A419-Q430 HydrophobicContact CB-CB 4.01Å; A419-Q430 HydrophobicContact CB-CG 3.91Å; W426-Q430 HydrophobicContact CE3-CB 4.15Å; W426-Q430 HydrophobicContact CH2-CB 4.08Å; W426-Q430 HydrophobicContact CH2-CG 4.16Å; W426-Q430 HydrophobicContact CZ3-CB 3.72Å; W426-Q430 HydrophobicContact CZ3-CG 4.01Å; W426-Q430 PolarHBondContact O-N 3.38Å; N427-Q430 PolarHBondContact O-N 2.93Å; Q430-Q432 VanDerWaalsContact C-N 3.34Å; Q430-Q432 PolarHBondContact O-N 3.49Å; Q430-L433 WeakPolarHBondContact O-CB 3.19Å; Q430-L433 PolarHBondContact O-N 3.19Å; Q430-L433 VanDerWaalsContact O-N 3.13Å; Q430-V434 HydrophobicContact CG-CG2 4.44Å; Q430-V434 WeakPolarHBondContact O-CG2 3.41Å; Q430-V434 PolarHBondContact O-N 3.26Å
431R97.6Very high97.3Very high15 Ų1523.8 Ų23.86%0.05713%0.133CC..Hα-helixtrans-64.8-37.2176.3-67.9-175.4-62.7-136.84.9112.5A419 N427 A428 A429 L433 V434 L435 P529 E530 L532A419-R431 HydrophobicContact CB-CG 3.72Å; N427-R431 WeakPolarHBondContact O-CB 3.32Å; N427-R431 VanDerWaalsContact O-CG 3.24Å; N427-R431 WeakPolarHBondContact O-CG 3.05Å; N427-R431 PolarHBondContact O-N 3.28Å; A428-R431 PolarHBondContact O-N 2.92Å; A429-R431 PolarHBondContact O-N 3.35Å; R431-L433 VanDerWaalsContact C-N 3.31Å; R431-L433 PolarHBondContact O-N 3.42Å; R431-V434 PolarHBondContact O-N 3.15Å; R431-L435 VanDerWaalsContact O-CB 3.27Å; R431-L435 WeakPolarHBondContact O-CB 3.46Å; R431-L435 VanDerWaalsContact O-CG 3.29Å; R431-L435 WeakPolarHBondContact O-CG 3.38Å; R431-L435 PolarHBondContact O-N 3.33Å; R431-P529 WeakPolarHBondContact CD-O 3.35Å; R431-P529 VanDerWaalsContact CZ-O 3.29Å; R431-P529 PolarHBondContact NE-O 3.04Å; R431-E530 VanDerWaalsContact NH1-CA 3.27Å; R431-E530 PolarHBondContact NH1-O 3.28Å; R431-L532 HydrophobicContact CB-CD2 4.19Å; R431-L532 HydrophobicContact CG-CD1 4.32Å; R431-L532 HydrophobicContact CG-CD2 3.9Å; R431-L532 HydrophobicContact CG-CG 4.05Å
432Q97Very high97.3Very high19 Ų1923.3 Ų23.39%0.08913%0.129CC..Hα-helixtrans-58.2-45.5170.8177-179.355.600111.2A428 A429 Q430 K436 K438 F524 Y528A428-Q432 WeakPolarHBondContact O-CB 3.2Å; A428-Q432 PolarHBondContact O-N 3.49Å; A429-Q432 WeakPolarHBondContact O-CB 3.39Å; A429-Q432 PolarHBondContact O-N 3.19Å; Q430-Q432 VanDerWaalsContact C-N 3.34Å; Q430-Q432 PolarHBondContact O-N 3.49Å; Q432-K436 WeakPolarHBondContact O-CA 3.13Å; Q432-K436 WeakPolarHBondContact O-CB 3.22Å; Q432-K436 PolarHBondContact O-N 3.33Å; Q432-K438 WeakPolarHBondContact CG-O 3.46Å; Q432-F524 HydrophobicContact CB-CZ 4.29Å; Q432-Y528 HydrophobicContact CB-CD1 4.19Å; Q432-Y528 HydrophobicContact CB-CD2 4.42Å; Q432-Y528 HydrophobicContact CB-CE1 3.65Å; Q432-Y528 HydrophobicContact CB-CE2 3.91Å; Q432-Y528 HydrophobicContact CG-CE1 3.94Å; Q432-Y528 HydrophobicContact CG-CE2 4.32Å; Q432-Y528 VanDerWaalsContact CG-OH 3.31Å; Q432-Y528 WeakPolarHBondContact CG-OH 3.36Å; Q432-Y528 PolarHBondContact NE2-OH 3.07Å
433L97.4Very high97.4Very high1 Ų119.9 Ų19.91%0.0059%0.094CC..Hα-helixtrans-61.8-51.1177.2174.357.9000111.4R103 A429 Q430 R431 L435 G437 M439 W447 Y473 S474R103-L433 PolarHBondContact NH1-O 3.26Å; A429-L433 PolarHBondContact O-N 3.19Å; Q430-L433 WeakPolarHBondContact O-CB 3.19Å; Q430-L433 PolarHBondContact O-N 3.19Å; Q430-L433 VanDerWaalsContact O-N 3.13Å; R431-L433 VanDerWaalsContact C-N 3.31Å; R431-L433 PolarHBondContact O-N 3.42Å; L433-L435 PolarHBondContact O-N 2.84Å; L433-G437 VanDerWaalsContact O-CA 3.24Å; L433-G437 WeakPolarHBondContact O-CA 3.38Å; L433-G437 PolarHBondContact O-N 3.36Å; L433-M439 HydrophobicContact CB-CB 4.22Å; L433-M439 HydrophobicContact CB-CE 3.62Å; L433-M439 HydrophobicContact CD2-CE 3.74Å; L433-M439 HydrophobicContact CG-CE 4.23Å; L433-W447 HydrophobicContact CD2-CZ2 4.35Å; L433-Y473 HydrophobicContact CG-CG 4.39Å; L433-S474 WeakPolarHBondContact CD1-OG 3.46Å
434V96.4Very high97.4Very high21 Ų2121.6 Ų21.613%0.12710%0.099CC..Hα-helixtrans-61.7-46.6-178.81750000111.3R103 Q430 R431 Y473 L532R103-V434 VanDerWaalsContact CZ-O 3.25Å; R103-V434 PolarHBondContact NH1-O 3.15Å; R103-V434 PolarHBondContact NH2-O 3.39Å; Q430-V434 HydrophobicContact CG-CG2 4.44Å; Q430-V434 WeakPolarHBondContact O-CG2 3.41Å; Q430-V434 PolarHBondContact O-N 3.26Å; R431-V434 PolarHBondContact O-N 3.15Å; V434-Y473 HydrophobicContact CB-CD1 4.25Å; V434-Y473 HydrophobicContact CB-CE1 4.32Å; V434-Y473 HydrophobicContact CG1-CD1 4.25Å; V434-Y473 HydrophobicContact CG1-CE1 3.98Å; V434-Y473 HydrophobicContact CG2-CD1 3.97Å; V434-Y473 HydrophobicContact CG2-CD2 4.31Å; V434-Y473 HydrophobicContact CG2-CE1 3.86Å; V434-Y473 HydrophobicContact CG2-CE2 4.24Å; V434-Y473 HydrophobicContact CG2-CG 4.19Å; V434-L532 HydrophobicContact CB-CD1 4.25Å; V434-L532 HydrophobicContact CB-CD2 3.98Å; V434-L532 HydrophobicContact CG1-CD1 4.08Å; V434-L532 HydrophobicContact CG1-CD2 3.76Å; V434-L532 HydrophobicContact CG1-CG 4.48Å; V434-L532 HydrophobicContact CG2-CD1 4.15Å
435L95.8Very high97.4Very high68 Ų6820.1 Ų20.136%0.3569%0.09SC..Hα-helixtrans-82.9-39.5-173.1-64.5171.4000113.6R431 L433 Y528 P529 L532R431-L435 VanDerWaalsContact O-CB 3.27Å; R431-L435 WeakPolarHBondContact O-CB 3.46Å; R431-L435 VanDerWaalsContact O-CG 3.29Å; R431-L435 WeakPolarHBondContact O-CG 3.38Å; R431-L435 PolarHBondContact O-N 3.33Å; L433-L435 PolarHBondContact O-N 2.84Å; L435-Y528 HydrophobicContact CD1-CD1 4.39Å; L435-P529 HydrophobicContact CD1-CG 3.88Å; L435-L532 HydrophobicContact CD1-CD2 4.15Å; L435-L532 HydrophobicContact CD2-CD2 3.9Å; L435-L532 HydrophobicContact CG-CD2 3.77Å
436K96.4Very high97.5Very high78 Ų7820.1 Ų20.134%0.3399%0.09SC..Hα-helixtrans-105.7-5.6-173-63.4-59.4-173-176.10113.7D293 W294 Q432 K438 Y528D293-K436 IonicContact OD1-NZ 3.5Å; D293-K436 PolarHBondContact OD1-NZ 3.07Å; D293-K436 IonicContact OD2-NZ 3.5Å; W294-K436 PolarHBondContact NE1-O 2.92Å; Q432-K436 WeakPolarHBondContact O-CA 3.13Å; Q432-K436 WeakPolarHBondContact O-CB 3.22Å; Q432-K436 PolarHBondContact O-N 3.33Å; K436-K438 PolarHBondContact O-N 2.95Å; K436-K438 VanDerWaalsContact O-N 3.07Å; K436-Y528 HydrophobicContact CG-CE1 4.32Å
437G97.4Very high97.5Very high0 Ų020.4 Ų20.40%09%0.091CC..SBendtrans62.215.6-179.500000114.3L433 Y473 S474 L475L433-G437 VanDerWaalsContact O-CA 3.24Å; L433-G437 WeakPolarHBondContact O-CA 3.38Å; L433-G437 PolarHBondContact O-N 3.36Å; G437-Y473 VanDerWaalsContact CA-O 3.23Å; G437-Y473 WeakPolarHBondContact CA-O 3.39Å; G437-S474 CarbonylContact O-C 3.33Å; G437-S474 WeakPolarHBondContact O-CA 3.27Å; G437-L475 PolarHBondContact O-N 3.41Å
438K97.7Very high97.5Very high32 Ų3219.7 Ų19.714%0.1399%0.088CC..  trans-156.3104.1-177.8-172.7175.1-172.4-58.50110.7W294 S333 P334 Q432 K436W294-K438 HydrophobicContact CH2-CB 4.31Å; W294-K438 HydrophobicContact CH2-CD 3.58Å; W294-K438 HydrophobicContact CZ2-CB 3.81Å; W294-K438 HydrophobicContact CZ2-CD 3.96Å; S333-K438 WeakPolarHBondContact OG-CE 3.4Å; P334-K438 HydrophobicContact CG-CD 4.48Å; Q432-K438 WeakPolarHBondContact CG-O 3.46Å; K436-K438 PolarHBondContact O-N 2.95Å; K436-K438 VanDerWaalsContact O-N 3.07Å
439M97.7Very high97.5Very high4 Ų419.7 Ų19.72%0.029%0.088CC..  trans-81.1140.1173.9-164.9-171.6-59.400110.8A429 L433 W441 L443 R444 W447A429-M439 HydrophobicContact CB-CE 4.44Å; A429-M439 HydrophobicContact CB-CG 4.42Å; A429-M439 HydrophobicContact CB-SD 3.97Å; A429-M439 WeakPolarHBondContact O-CE 3.37Å; L433-M439 HydrophobicContact CB-CB 4.22Å; L433-M439 HydrophobicContact CB-CE 3.62Å; L433-M439 HydrophobicContact CD2-CE 3.74Å; L433-M439 HydrophobicContact CG-CE 4.23Å; M439-W441 PolarHBondContact O-N 3.38Å; M439-L443 HydrophobicContact CG-CB 4.04Å; M439-L443 HydrophobicContact SD-CB 4.06Å; M439-R444 HydrophobicContact CB-CG 3.8Å; M439-R444 HydrophobicContact CG-CG 4.07Å; M439-R444 PolarHBondContact O-NE 3.4Å; M439-R444 VanDerWaalsContact O-NE 3.15Å; M439-R444 HydrophobicContact SD-CB 4.38Å; M439-R444 HydrophobicContact SD-CG 3.88Å; M439-W447 HydrophobicContact CE-CB 4.16Å; M439-W447 HydrophobicContact CE-CD2 3.85Å; M439-W447 HydrophobicContact CE-CG 3.63Å; M439-W447 HydrophobicContact SD-CB 3.78Å; M439-W447 HydrophobicContact SD-CD2 4.44Å; M439-W447 HydrophobicContact SD-CG 3.93Å
440H97.7Very high97.6Very high13 Ų1320.3 Ų20.36%0.069%0.091CC..  trans-58133.5173.8-171.1-87.9000110.5R321 P324 F442 L443 R444R321-H440 PolarHBondContact O-CE1 2.82Å; R321-H440 PolarHBondContact O-NE2 3.38Å; P324-H440 HydrophobicContact CB-CB 4.16Å; H440-F442 VanDerWaalsContact C-N 3.29Å; H440-F442 PolarHBondContact ND1-N 2.88Å; H440-F442 PolarHBondContact O-N 2.84Å; H440-L443 HydrophobicContact CB-CB 4.44Å; H440-L443 HydrophobicContact CB-CD1 4.18Å; H440-L443 HydrophobicContact CB-CG 4.32Å; H440-L443 CarbonylContact O-C 3.59Å; H440-L443 WeakPolarHBondContact O-CA 3.46Å; H440-L443 WeakPolarHBondContact O-CB 3.44Å; H440-L443 PolarHBondContact O-N 3.43Å; H440-R444 PolarHBondContact O-N 2.87Å
441W94.9Very high97.6Very high67 Ų6720.3 Ų20.325%0.2549%0.091SC..Hα-helixtrans-60.6-35.6-168.880.5-81000113.4R321 N322 L329 M439 L443 R444 Q445R321-W441 HydrophobicContact CG-CZ2 4.22Å; R321-W441 VanDerWaalsContact NH1-CH2 3.35Å; R321-W441 VanDerWaalsContact NH1-CZ2 3.26Å; R321-W441 PolarHBondContact O-NE1 3.35Å; N322-W441 HydrophobicContact CB-CZ2 4.49Å; N322-W441 WeakPolarHBondContact OD1-CH2 3.41Å; N322-W441 WeakPolarHBondContact OD1-CZ2 3.4Å; L329-W441 VanDerWaalsContact CD2-CD1 3.47Å; M439-W441 PolarHBondContact O-N 3.38Å; W441-L443 VanDerWaalsContact C-N 3.25Å; W441-L443 PolarHBondContact O-N 2.87Å; W441-R444 PolarHBondContact O-N 3.48Å; W441-Q445 PolarHBondContact O-N 3.13Å
442F96.9Very high97.6Very high4 Ų419.6 Ų19.62%0.0189%0.088CC..Hα-helixtrans-61-39.3174.5-175.3-86.9000111.3N322 P324 H440 Q445 Y446 M510 K518 F519N322-F442 HydrophobicContact CB-CD2 4.11Å; N322-F442 WeakPolarHBondContact O-CG 3.16Å; P324-F442 HydrophobicContact CG-CB 4.47Å; P324-F442 HydrophobicContact CG-CD1 4.38Å; H440-F442 VanDerWaalsContact C-N 3.29Å; H440-F442 PolarHBondContact ND1-N 2.88Å; H440-F442 PolarHBondContact O-N 2.84Å; F442-Q445 WeakPolarHBondContact O-CB 3.46Å; F442-Q445 PolarHBondContact O-N 3.45Å; F442-Y446 PolarHBondContact O-N 3.04Å; F442-M510 HydrophobicContact CE1-CE 3.74Å; F442-M510 HydrophobicContact CE2-CE 4.11Å; F442-M510 HydrophobicContact CZ-CE 3.5Å; F442-M510 VanDerWaalsContact CZ-CE 3.5Å; F442-K518 HydrophobicContact CE2-CD 3.89Å; F442-K518 HydrophobicContact CZ-CD 3.65Å; F442-F519 AromaticContact CD1-CE1 3.82Å; F442-F519 HydrophobicContact CD1-CE1 3.82Å; F442-F519 HydrophobicContact CD1-CZ 4.5Å; F442-F519 HydrophobicContact CE1-CD1 4.45Å; F442-F519 AromaticContact CE1-CE1 3.61Å; F442-F519 HydrophobicContact CE1-CE1 3.61Å; F442-F519 HydrophobicContact CE1-CZ 4.44Å; F442-F519 HydrophobicContact CZ-CE1 4.5Å
443L98.1Very high97.6Very high0 Ų020.2 Ų20.20%09%0.091CC..Hα-helixtrans-74.9-30.1179-64.1178.2000112.1P324 L425 A429 M439 H440 W441 Q445 Y446 W447 F519 F524P324-L443 HydrophobicContact CB-CD1 3.69Å; P324-L443 HydrophobicContact CB-CG 4.01Å; P324-L443 HydrophobicContact CG-CD1 3.84Å; P324-L443 HydrophobicContact CG-CD2 3.85Å; P324-L443 HydrophobicContact CG-CG 3.58Å; L425-L443 HydrophobicContact CD1-CD2 3.8Å; L425-L443 HydrophobicContact CD2-CD2 4.45Å; L425-L443 HydrophobicContact CG-CD2 4.27Å; A429-L443 HydrophobicContact CB-CB 3.98Å; A429-L443 HydrophobicContact CB-CD1 4.08Å; A429-L443 HydrophobicContact CB-CG 4.48Å; M439-L443 HydrophobicContact CG-CB 4.04Å; M439-L443 HydrophobicContact SD-CB 4.06Å; H440-L443 HydrophobicContact CB-CB 4.44Å; H440-L443 HydrophobicContact CB-CD1 4.18Å; H440-L443 HydrophobicContact CB-CG 4.32Å; H440-L443 CarbonylContact O-C 3.59Å; H440-L443 WeakPolarHBondContact O-CA 3.46Å; H440-L443 WeakPolarHBondContact O-CB 3.44Å; H440-L443 PolarHBondContact O-N 3.43Å; W441-L443 VanDerWaalsContact C-N 3.25Å; W441-L443 PolarHBondContact O-N 2.87Å; L443-Q445 PolarHBondContact O-N 2.85Å; L443-Y446 PolarHBondContact O-N 2.89Å; L443-Y446 VanDerWaalsContact O-N 3.16Å; L443-W447 WeakPolarHBondContact O-CB 3.37Å; L443-W447 PolarHBondContact O-N 3.18Å; L443-F519 HydrophobicContact CD2-CZ 4Å; L443-F524 HydrophobicContact CD1-CD1 3.92Å; L443-F524 HydrophobicContact CD1-CD2 4.2Å; L443-F524 HydrophobicContact CD1-CE1 3.24Å; L443-F524 HydrophobicContact CD1-CE2 3.56Å; L443-F524 HydrophobicContact CD1-CG 4.36Å; L443-F524 HydrophobicContact CD1-CZ 3.04Å
444R98.3Very high97.6Very high51 Ų5120.7 Ų20.719%0.1929%0.093CC..Hα-helixtrans-55.9-40.2171.9-66.2-166.3-169.5-151.86.3111.9M439 H440 W441 A448 N470 D476M439-R444 HydrophobicContact CB-CG 3.8Å; M439-R444 HydrophobicContact CG-CG 4.07Å; M439-R444 PolarHBondContact O-NE 3.4Å; M439-R444 VanDerWaalsContact O-NE 3.15Å; M439-R444 HydrophobicContact SD-CB 4.38Å; M439-R444 HydrophobicContact SD-CG 3.88Å; H440-R444 PolarHBondContact O-N 2.87Å; W441-R444 PolarHBondContact O-N 3.48Å; R444-A448 WeakPolarHBondContact O-CB 3.4Å; R444-A448 PolarHBondContact O-N 3.49Å; R444-N470 PolarHBondContact NH1-OD1 3.09Å; R444-D476 IonicContact CZ-OD1 2.66Å; R444-D476 IonicContact CZ-OD2 3.88Å; R444-D476 IonicContact NH1-OD1 3.69Å; R444-D476 PolarHBondContact NH1-OD1 3.01Å; R444-D476 IonicContact NH1-OD2 2.64Å; R444-D476 IonicContact NH2-OD1 2.66Å; R444-D476 PolarHBondContact NH2-OD1 2.88Å; R444-D476 IonicContact NH2-OD2 3.81Å; R444-D476 PolarHBondContact NH2-OD2 3.46Å
445Q98.1Very high97.6Very high34 Ų3419.7 Ų19.716%0.1599%0.087CC..Hα-helixtrans-65.1-48.2175.7-64171.674.100112.3W441 F442 L443 K449 W488 M510W441-Q445 PolarHBondContact O-N 3.13Å; F442-Q445 WeakPolarHBondContact O-CB 3.46Å; F442-Q445 PolarHBondContact O-N 3.45Å; L443-Q445 PolarHBondContact O-N 2.85Å; Q445-K449 WeakPolarHBondContact O-CB 3.38Å; Q445-K449 VanDerWaalsContact O-CG 3.28Å; Q445-K449 WeakPolarHBondContact O-CG 3.36Å; Q445-K449 PolarHBondContact O-N 2.8Å; Q445-W488 HydrophobicContact CB-CH2 4.46Å; Q445-W488 HydrophobicContact CB-CZ3 3.79Å; Q445-W488 HydrophobicContact CG-CE3 4.09Å; Q445-W488 HydrophobicContact CG-CH2 4.07Å; Q445-W488 HydrophobicContact CG-CZ3 3.45Å; Q445-W488 VanDerWaalsContact CG-CZ3 3.45Å; Q445-W488 VanDerWaalsContact OE1-CZ3 3.31Å; Q445-M510 HydrophobicContact CB-CE 4.31Å; Q445-M510 HydrophobicContact CB-SD 3.85Å
446Y98.6Very high97.5Very high0 Ų019.1 Ų19.10%09%0.092CC..Hα-helixtrans-59.2-50.5177.3-177.4-103.9000110.8D423 L425 W426 F442 L443 K449 K450 M510 Y512 C515D423-Y446 PolarHBondContact OD2-OH 3.47Å; L425-Y446 HydrophobicContact CB-CE1 4.37Å; L425-Y446 HydrophobicContact CD2-CD1 4.08Å; L425-Y446 HydrophobicContact CD2-CE1 3.83Å; L425-Y446 HydrophobicContact CD2-CE2 4.44Å; L425-Y446 HydrophobicContact CD2-CG 4.49Å; L425-Y446 HydrophobicContact CG-CD1 4.28Å; L425-Y446 HydrophobicContact CG-CE1 4.04Å; W426-Y446 HydrophobicContact CB-CE1 4.06Å; F442-Y446 PolarHBondContact O-N 3.04Å; L443-Y446 PolarHBondContact O-N 2.89Å; L443-Y446 VanDerWaalsContact O-N 3.16Å; Y446-K449 PolarHBondContact O-N 2.86Å; Y446-K450 HydrophobicContact CD1-CG 4.19Å; Y446-K450 HydrophobicContact CE1-CG 3.83Å; Y446-K450 HydrophobicContact CE2-CD 4.48Å; Y446-K450 HydrophobicContact CE2-CG 4.25Å; Y446-K450 WeakPolarHBondContact O-CG 3.47Å; Y446-K450 PolarHBondContact O-N 3.44Å; Y446-K450 WeakPolarHBondContact OH-CE 3.5Å; Y446-M510 HydrophobicContact CD2-CB 4.14Å; Y446-M510 HydrophobicContact CD2-CE 4.4Å; Y446-Y512 PolarHBondContact OH-N 3.38Å; Y446-C515 VanDerWaalsContact CD2-SG 3.55Å
447W98.8Very high97.3Very high5 Ų521.6 Ų21.62%0.01911%0.105CC..Hα-helixtrans-57.5-51.7-176.9172.590.9000112.1W426 L433 M439 L443 K449 K450 I451 A466 L469W426-W447 AromaticContact CE2-CD1 3.35Å; W426-W447 AromaticContact CE2-NE1 3.74Å; W426-W447 AromaticContact CH2-NE1 3.75Å; W426-W447 AromaticContact CZ2-CD1 3.4Å; W426-W447 HydrophobicContact CZ2-CG 4.3Å; W426-W447 AromaticContact CZ2-NE1 3.24Å; W426-W447 AromaticContact NE1-CD1 3.42Å; W426-W447 AromaticContact NE1-CG 3.79Å; W426-W447 PolarHBondContact NE1-O 3.24Å; L433-W447 HydrophobicContact CD2-CZ2 4.35Å; M439-W447 HydrophobicContact CE-CB 4.16Å; M439-W447 HydrophobicContact CE-CD2 3.85Å; M439-W447 HydrophobicContact CE-CG 3.63Å; M439-W447 HydrophobicContact SD-CB 3.78Å; M439-W447 HydrophobicContact SD-CD2 4.44Å; M439-W447 HydrophobicContact SD-CG 3.93Å; L443-W447 WeakPolarHBondContact O-CB 3.37Å; L443-W447 PolarHBondContact O-N 3.18Å; W447-K449 PolarHBondContact O-N 3.15Å; W447-K450 PolarHBondContact O-N 2.83Å; W447-I451 HydrophobicContact CD2-CD1 3.83Å; W447-I451 HydrophobicContact CE3-CD1 3.93Å; W447-I451 HydrophobicContact CH2-CD1 3.54Å; W447-I451 HydrophobicContact CZ2-CD1 3.43Å; W447-I451 VanDerWaalsContact CZ2-CD1 3.43Å; W447-I451 HydrophobicContact CZ3-CD1 3.78Å; W447-I451 WeakPolarHBondContact O-CG1 3.35Å; W447-I451 PolarHBondContact O-N 3.35Å; W447-I451 VanDerWaalsContact O-N 3.09Å; W447-A466 HydrophobicContact CH2-CB 4.07Å; W447-A466 WeakPolarHBondContact CH2-O 3.1Å; W447-A466 HydrophobicContact CZ3-CB 3.94Å; W447-L469 HydrophobicContact CH2-CB 3.76Å; W447-L469 HydrophobicContact CH2-CD1 4.38Å; W447-L469 HydrophobicContact CZ2-CB 3.48Å; W447-L469 VanDerWaalsContact CZ2-CB 3.48Å; W447-L469 HydrophobicContact CZ2-CD1 3.6Å; W447-L469 HydrophobicContact CZ2-CG 4.17Å
448A98.6Very high97.1Very high2 Ų221.8 Ų21.82%0.01711%0.106CC..Hα-helixtrans-67.8-35.8-179.800000112.4R444 K450 I451 L452 A489 I490R444-A448 WeakPolarHBondContact O-CB 3.4Å; R444-A448 PolarHBondContact O-N 3.49Å; A448-K450 VanDerWaalsContact C-N 3.32Å; A448-K450 PolarHBondContact O-N 3.36Å; A448-I451 PolarHBondContact O-N 2.9Å; A448-L452 PolarHBondContact O-N 3.39Å; A448-A489 HydrophobicContact CB-CB 3.51Å; A448-I490 HydrophobicContact CB-CG1 4.37Å
449K98.5Very high97Very high0 Ų020.3 Ų20.30%010%0.1CC..Hα-helixtrans-65.3-35.8175-76.7176.6-174.3-56.70112.4Q445 Y446 W447 L452 E453 A489 F504 R508 M510Q445-K449 WeakPolarHBondContact O-CB 3.38Å; Q445-K449 VanDerWaalsContact O-CG 3.28Å; Q445-K449 WeakPolarHBondContact O-CG 3.36Å; Q445-K449 PolarHBondContact O-N 2.8Å; Y446-K449 PolarHBondContact O-N 2.86Å; W447-K449 PolarHBondContact O-N 3.15Å; K449-L452 WeakPolarHBondContact O-CB 3.47Å; K449-L452 PolarHBondContact O-N 3.31Å; K449-E453 PolarHBondContact O-N 2.93Å; K449-A489 HydrophobicContact CG-CB 4.22Å; K449-A489 WeakPolarHBondContact CG-O 3.23Å; K449-A489 PolarHBondContact NZ-O 3.08Å; K449-F504 HydrophobicContact CB-CE1 4.07Å; K449-F504 HydrophobicContact CB-CZ 4.47Å; K449-F504 HydrophobicContact CG-CE1 4.37Å; K449-F504 VanDerWaalsContact O-CZ 3.27Å; K449-F504 WeakPolarHBondContact O-CZ 3.13Å; K449-R508 VanDerWaalsContact CD-O 3.31Å; K449-R508 WeakPolarHBondContact CD-O 3.19Å; K449-R508 VanDerWaalsContact CE-O 3.23Å; K449-R508 WeakPolarHBondContact CE-O 3.5Å; K449-R508 PolarHBondContact NZ-O 3.36Å; K449-M510 HydrophobicContact CD-CB 3.97Å; K449-M510 HydrophobicContact CD-CG 3.75Å; K449-M510 HydrophobicContact CD-SD 3.81Å
450K98.5Very high96.8Very high12 Ų1223.5 Ų23.55%0.05212%0.115CC..Hα-helixtrans-71.2-33.4175.1-72-49.9-168.7171.50113.1W426 Y446 W447 A448 L452 E453 W454W426-K450 HydrophobicContact CG-CB 4.3Å; Y446-K450 HydrophobicContact CD1-CG 4.19Å; Y446-K450 HydrophobicContact CE1-CG 3.83Å; Y446-K450 HydrophobicContact CE2-CD 4.48Å; Y446-K450 HydrophobicContact CE2-CG 4.25Å; Y446-K450 WeakPolarHBondContact O-CG 3.47Å; Y446-K450 PolarHBondContact O-N 3.44Å; Y446-K450 WeakPolarHBondContact OH-CE 3.5Å; W447-K450 PolarHBondContact O-N 2.83Å; A448-K450 VanDerWaalsContact C-N 3.32Å; A448-K450 PolarHBondContact O-N 3.36Å; K450-L452 VanDerWaalsContact C-N 3.29Å; K450-L452 PolarHBondContact O-N 3.45Å; K450-E453 WeakPolarHBondContact CD-OE2 3.29Å; K450-E453 WeakPolarHBondContact CE-OE2 3.27Å; K450-E453 IonicContact NZ-OE1 3.83Å; K450-E453 IonicContact NZ-OE2 2.72Å; K450-E453 PolarHBondContact NZ-OE2 3.01Å; K450-E453 PolarHBondContact O-N 3.21Å; K450-E453 VanDerWaalsContact O-N 3.12Å; K450-W454 HydrophobicContact CB-CD2 4.23Å; K450-W454 HydrophobicContact CB-CE3 3.93Å; K450-W454 HydrophobicContact CB-CH2 3.67Å; K450-W454 HydrophobicContact CB-CZ2 3.99Å; K450-W454 HydrophobicContact CB-CZ3 3.66Å; K450-W454 HydrophobicContact CD-CH2 4.09Å; K450-W454 HydrophobicContact CD-CZ2 3.67Å; K450-W454 HydrophobicContact CG-CH2 3.82Å; K450-W454 HydrophobicContact CG-CZ2 3.95Å; K450-W454 HydrophobicContact CG-CZ3 4.33Å; K450-W454 WeakPolarHBondContact O-CB 3.29Å; K450-W454 VanDerWaalsContact O-CD2 3.3Å; K450-W454 VanDerWaalsContact O-CG 3.32Å; K450-W454 PolarHBondContact O-N 3.41Å
451I98.2Very high96.6Very high0 Ų024 Ų240%012%0.12CC..Hα-helixtrans-58.7-44.5170.3-64.7171.1000110.1M416 W426 W447 A448 E453 W454 C455 A462 I465 A466 L469M416-I451 HydrophobicContact SD-CB 4.33Å; M416-I451 HydrophobicContact SD-CG1 3.92Å; M416-I451 HydrophobicContact SD-CG2 4.07Å; W426-I451 HydrophobicContact CZ2-CD1 4.25Å; W426-I451 HydrophobicContact CZ2-CG1 3.87Å; W447-I451 HydrophobicContact CD2-CD1 3.83Å; W447-I451 HydrophobicContact CE3-CD1 3.93Å; W447-I451 HydrophobicContact CH2-CD1 3.54Å; W447-I451 HydrophobicContact CZ2-CD1 3.43Å; W447-I451 VanDerWaalsContact CZ2-CD1 3.43Å; W447-I451 HydrophobicContact CZ3-CD1 3.78Å; W447-I451 WeakPolarHBondContact O-CG1 3.35Å; W447-I451 PolarHBondContact O-N 3.35Å; W447-I451 VanDerWaalsContact O-N 3.09Å; A448-I451 PolarHBondContact O-N 2.9Å; I451-E453 PolarHBondContact O-N 2.91Å; I451-W454 PolarHBondContact O-N 3.44Å; I451-C455 WeakPolarHBondContact O-CB 3.48Å; I451-C455 PolarHBondContact O-N 3.39Å; I451-A462 HydrophobicContact CG2-CB 3.96Å; I451-A462 WeakPolarHBondContact CG2-O 3.28Å; I451-I465 HydrophobicContact CD1-CG2 4.42Å; I451-I465 HydrophobicContact CG2-CB 4.11Å; I451-I465 HydrophobicContact CG2-CG2 4Å; I451-A466 HydrophobicContact CD1-CB 3.93Å; I451-L469 HydrophobicContact CD1-CD1 4.33Å
452L97.9Very high96.7Very high1 Ų120.9 Ų20.91%0.00511%0.108CC..Hα-helixtrans-60.2-41.8173172.463.1000112.8L399 A448 K449 K450 W454 P459 A462 I490 I503 F504 I507L399-L452 HydrophobicContact CD2-CD1 4.14Å; L399-L452 HydrophobicContact CD2-CD2 4.13Å; A448-L452 PolarHBondContact O-N 3.39Å; K449-L452 WeakPolarHBondContact O-CB 3.47Å; K449-L452 PolarHBondContact O-N 3.31Å; K450-L452 VanDerWaalsContact C-N 3.29Å; K450-L452 PolarHBondContact O-N 3.45Å; L452-W454 VanDerWaalsContact C-N 3.3Å; L452-W454 PolarHBondContact O-N 3.43Å; L452-P459 HydrophobicContact CD1-CB 3.94Å; L452-A462 HydrophobicContact CB-CB 4.44Å; L452-I490 HydrophobicContact CB-CG1 4.34Å; L452-I490 HydrophobicContact CB-CG2 4.24Å; L452-I490 HydrophobicContact CD1-CG2 4.13Å; L452-I490 HydrophobicContact CD2-CG2 4.21Å; L452-I490 HydrophobicContact CG-CG2 4.42Å; L452-I503 WeakPolarHBondContact O-CG2 3.38Å; L452-F504 HydrophobicContact CD2-CD1 3.73Å; L452-F504 HydrophobicContact CD2-CE1 3.92Å; L452-F504 HydrophobicContact CD2-CG 4.35Å; L452-F504 HydrophobicContact CG-CE1 4.45Å; L452-I507 HydrophobicContact CD2-CG2 4.41Å
453E98Very high96.7Very high31 Ų3120.7 Ų20.715%0.14511%0.107CC..Hα-helixtrans-65.3-31.8-179.2-166.3164.5-161.100113.1R407 K449 K450 I451 F504 Y509R407-E453 VanDerWaalsContact CG-O 3.32Å; R407-E453 WeakPolarHBondContact CG-O 2.9Å; K449-E453 PolarHBondContact O-N 2.93Å; K450-E453 WeakPolarHBondContact CD-OE2 3.29Å; K450-E453 WeakPolarHBondContact CE-OE2 3.27Å; K450-E453 IonicContact NZ-OE1 3.83Å; K450-E453 IonicContact NZ-OE2 2.72Å; K450-E453 PolarHBondContact NZ-OE2 3.01Å; K450-E453 PolarHBondContact O-N 3.21Å; K450-E453 VanDerWaalsContact O-N 3.12Å; I451-E453 PolarHBondContact O-N 2.91Å; E453-F504 HydrophobicContact CB-CE2 3.66Å; E453-F504 HydrophobicContact CB-CZ 3.78Å; E453-F504 HydrophobicContact CG-CE2 3.72Å; E453-F504 HydrophobicContact CG-CZ 4.27Å; E453-Y509 WeakPolarHBondContact OE1-CE2 3.28Å; E453-Y509 PolarHBondContact OE1-OH 3.42Å
454W97.9Very high96.5Very high12 Ų1226.6 Ų26.65%0.04514%0.135CC..Hα-helixtrans-110.9-8.3-169.6-56.7-31.9000114.9A410 Y411 M416 T421 D423 W426 K450 I451 L452 A456A410-W454 VanDerWaalsContact CA-O 3.29Å; A410-W454 WeakPolarHBondContact CA-O 3.39Å; Y411-W454 HydrophobicContact CD2-CB 3.86Å; Y411-W454 AromaticContact CD2-CD2 3.64Å; Y411-W454 HydrophobicContact CD2-CD2 3.64Å; Y411-W454 AromaticContact CD2-CE3 3.62Å; Y411-W454 HydrophobicContact CD2-CE3 3.62Å; Y411-W454 AromaticContact CD2-CG 3.76Å; Y411-W454 HydrophobicContact CD2-CG 3.76Å; Y411-W454 HydrophobicContact CD2-CZ3 4.34Å; Y411-W454 AromaticContact CE2-CD2 3.82Å; Y411-W454 HydrophobicContact CE2-CD2 3.82Å; Y411-W454 AromaticContact CE2-CE3 3.99Å; Y411-W454 HydrophobicContact CE2-CE3 3.99Å; Y411-W454 HydrophobicContact CE2-CG 4.1Å; Y411-W454 HydrophobicContact CE2-CZ3 4.41Å; Y411-W454 PolarHBondContact N-O 3.32Å; M416-W454 HydrophobicContact CE-CB 3.64Å; M416-W454 HydrophobicContact CE-CE3 4.49Å; T421-W454 HydrophobicContact CG2-CE3 4.25Å; T421-W454 HydrophobicContact CG2-CZ3 3.84Å; D423-W454 HydrophobicContact CB-CH2 3.59Å; D423-W454 HydrophobicContact CB-CZ2 3.92Å; W426-W454 HydrophobicContact CB-CH2 3.73Å; W426-W454 HydrophobicContact CB-CZ3 4.04Å; W426-W454 AromaticContact CD1-CH2 3.85Å; W426-W454 AromaticContact CD1-CZ3 3.63Å; W426-W454 HydrophobicContact CD2-CH2 4.24Å; W426-W454 AromaticContact CD2-CZ3 3.61Å; W426-W454 HydrophobicContact CD2-CZ3 3.61Å; W426-W454 AromaticContact CE2-CZ3 3.86Å; W426-W454 HydrophobicContact CE3-CZ3 4.24Å; W426-W454 AromaticContact CG-CH2 3.64Å; W426-W454 HydrophobicContact CG-CH2 3.64Å; W426-W454 AromaticContact CG-CZ3 3.47Å; W426-W454 HydrophobicContact CG-CZ3 3.47Å; W426-W454 VanDerWaalsContact CG-CZ3 3.47Å; W426-W454 AromaticContact NE1-CZ3 3.81Å; K450-W454 HydrophobicContact CB-CD2 4.23Å; K450-W454 HydrophobicContact CB-CE3 3.93Å; K450-W454 HydrophobicContact CB-CH2 3.67Å; K450-W454 HydrophobicContact CB-CZ2 3.99Å; K450-W454 HydrophobicContact CB-CZ3 3.66Å; K450-W454 HydrophobicContact CD-CH2 4.09Å; K450-W454 HydrophobicContact CD-CZ2 3.67Å; K450-W454 HydrophobicContact CG-CH2 3.82Å; K450-W454 HydrophobicContact CG-CZ2 3.95Å; K450-W454 HydrophobicContact CG-CZ3 4.33Å; K450-W454 WeakPolarHBondContact O-CB 3.29Å; K450-W454 VanDerWaalsContact O-CD2 3.3Å; K450-W454 VanDerWaalsContact O-CG 3.32Å; K450-W454 PolarHBondContact O-N 3.41Å; I451-W454 PolarHBondContact O-N 3.44Å; L452-W454 VanDerWaalsContact C-N 3.3Å; L452-W454 PolarHBondContact O-N 3.43Å; W454-A456 PolarHBondContact O-N 2.79Å
455C95.7Very high96.3Very high0 Ų024.7 Ų24.70%013%0.128CC..  trans-79.4109.1177.8-177.20000110.1I451 E457 G458 S461 A462I451-C455 WeakPolarHBondContact O-CB 3.48Å; I451-C455 PolarHBondContact O-N 3.39Å; C455-E457 VanDerWaalsContact C-N 3.26Å; C455-E457 PolarHBondContact O-N 3.18Å; C455-E457 PolarHBondContact SG-OE2 2.88Å; C455-G458 PolarHBondContact O-N 3.02Å; C455-S461 WeakPolarHBondContact SG-CB 3.32Å; C455-S461 PolarHBondContact SG-OG 2.85Å; C455-S461 VanDerWaalsContact SG-OG 3.33Å; C455-A462 HydrophobicContact CB-CB 3.88Å; C455-A462 PolarHBondContact SG-N 3.21Å
456A94Very high96.3Very high56 Ų5623 Ų2346%0.46312%0.121SC..THydrogen-bonded Turntrans-66.6-29.5-177.800000112.8A410 W454 G458A410-A456 HydrophobicContact CB-CB 3.97Å; W454-A456 PolarHBondContact O-N 2.79Å; A456-G458 PolarHBondContact O-N 3.39Å
457E92.1Very high96.2Very high130 Ų13024.2 Ų24.261%0.60713%0.127SC*.THydrogen-bonded Turntrans-77.1-2.6-178.7-53.480-173.900113C455C455-E457 VanDerWaalsContact C-N 3.26Å; C455-E457 PolarHBondContact O-N 3.18Å; C455-E457 PolarHBondContact SG-OE2 2.88Å
458G93.3Very high96Very high3 Ų327 Ų273%0.03114%0.138CC..  trans96.2-175172.900000115.1C455 A456 E460 S461 A462C455-G458 PolarHBondContact O-N 3.02Å; A456-G458 PolarHBondContact O-N 3.39Å; G458-E460 PolarHBondContact O-N 3.21Å; G458-S461 PolarHBondContact O-N 2.96Å; G458-A462 PolarHBondContact O-N 3.36Å
459P95.4Very high95.9Very high1 Ų126.9 Ų26.91%0.00614%0.137CC..Hα-helixtrans-65.4-34.3-168.321.5-28.3000113.7I388 L399 L452 A462 I463I388-P459 HydrophobicContact CD1-CB 4.12Å; I388-P459 HydrophobicContact CD1-CG 3.85Å; L399-P459 HydrophobicContact CB-CB 4.47Å; L399-P459 HydrophobicContact CB-CG 4.15Å; L399-P459 HydrophobicContact CD1-CB 4.18Å; L399-P459 HydrophobicContact CD2-CB 4.22Å; L452-P459 HydrophobicContact CD1-CB 3.94Å; P459-A462 WeakPolarHBondContact O-CB 3.08Å; P459-A462 PolarHBondContact O-N 3.45Å; P459-I463 VanDerWaalsContact O-CG1 3.25Å; P459-I463 WeakPolarHBondContact O-CG1 3.36Å; P459-I463 PolarHBondContact O-N 3.49Å
460E94Very high95.8Very high71 Ų7127.3 Ų27.333%0.33214%0.139SC..Hα-helixtrans-63.1-45.5177.2-70.682.6169.800111.8I388 G458 A462 I463 Q464I388-E460 HydrophobicContact CB-CG 4.07Å; I388-E460 WeakPolarHBondContact CD1-OE1 3.38Å; I388-E460 HydrophobicContact CG2-CG 3.69Å; I388-E460 VanDerWaalsContact CG2-OE1 3.32Å; I388-E460 WeakPolarHBondContact CG2-OE1 3.3Å; G458-E460 PolarHBondContact O-N 3.21Å; E460-A462 VanDerWaalsContact C-N 3.35Å; E460-I463 PolarHBondContact O-N 3.03Å; E460-Q464 WeakPolarHBondContact O-CG 3.4Å; E460-Q464 PolarHBondContact O-N 3.09Å; E460-Q464 VanDerWaalsContact O-N 3.09Å
461S93.3Very high95.6Very high25 Ų2527 Ų2718%0.17514%0.138CC..Hα-helixtrans-66.4-39.1175.5-178.70000111C455 G458 I463 Q464 I465C455-S461 WeakPolarHBondContact SG-CB 3.32Å; C455-S461 PolarHBondContact SG-OG 2.85Å; C455-S461 VanDerWaalsContact SG-OG 3.33Å; G458-S461 PolarHBondContact O-N 2.96Å; S461-I463 VanDerWaalsContact C-N 3.32Å; S461-I463 PolarHBondContact O-N 3.06Å; S461-Q464 PolarHBondContact O-N 3.07Å; S461-Q464 VanDerWaalsContact O-N 3.13Å; S461-I465 WeakPolarHBondContact O-CG1 3.42Å; S461-I465 PolarHBondContact O-N 3.31Å
462A96.4Very high95.4Very high0 Ų029.3 Ų29.30%015%0.146CC..Hα-helixtrans-58.4-42.3174.400000112.5I451 L452 C455 G458 P459 E460 A466 I490I451-A462 HydrophobicContact CG2-CB 3.96Å; I451-A462 WeakPolarHBondContact CG2-O 3.28Å; L452-A462 HydrophobicContact CB-CB 4.44Å; C455-A462 HydrophobicContact CB-CB 3.88Å; C455-A462 PolarHBondContact SG-N 3.21Å; G458-A462 PolarHBondContact O-N 3.36Å; P459-A462 WeakPolarHBondContact O-CB 3.08Å; P459-A462 PolarHBondContact O-N 3.45Å; E460-A462 VanDerWaalsContact C-N 3.35Å; A462-A466 VanDerWaalsContact O-CB 3.28Å; A462-A466 WeakPolarHBondContact O-CB 3.4Å; A462-A466 PolarHBondContact O-N 3.37Å; A462-I490 HydrophobicContact CB-CD1 4.26Å
463I96Very high95.3Very high1 Ų130.3 Ų30.31%0.00515%0.15CC..Hα-helixtrans-61.6-47.7174.2-65.3161000110.2D386 I388 P459 E460 S461 I465 A466 I467 M487 I490 C491D386-I463 WeakPolarHBondContact O-CG2 3.27Å; I388-I463 HydrophobicContact CB-CD1 4.06Å; P459-I463 VanDerWaalsContact O-CG1 3.25Å; P459-I463 WeakPolarHBondContact O-CG1 3.36Å; P459-I463 PolarHBondContact O-N 3.49Å; E460-I463 PolarHBondContact O-N 3.03Å; S461-I463 VanDerWaalsContact C-N 3.32Å; S461-I463 PolarHBondContact O-N 3.06Å; I463-I465 PolarHBondContact O-N 2.95Å; I463-A466 PolarHBondContact O-N 3.09Å; I463-I467 HydrophobicContact CG2-CD1 3.61Å; I463-I467 HydrophobicContact CG2-CG1 4.26Å; I463-I467 WeakPolarHBondContact O-CB 2.75Å; I463-I467 WeakPolarHBondContact O-CG1 3.32Å; I463-I467 PolarHBondContact O-N 3.07Å; I463-M487 HydrophobicContact CD1-SD 4.08Å; I463-M487 HydrophobicContact CG1-SD 4.32Å; I463-M487 HydrophobicContact CG2-SD 4.21Å; I463-I490 HydrophobicContact CD1-CG2 4.48Å; I463-I490 HydrophobicContact CG1-CB 4.34Å; I463-I490 HydrophobicContact CG1-CD1 4.28Å; I463-I490 HydrophobicContact CG1-CG2 3.81Å; I463-C491 VanDerWaalsContact CD1-SG 3.52Å
464Q94.5Very high95.3Very high123 Ų12328.9 Ų28.958%0.57514%0.144SC*.Hα-helixtrans-61.9-42.9-179.3-71.3176.9-7.600112.4E460 S461 Y468E460-Q464 WeakPolarHBondContact O-CG 3.4Å; E460-Q464 PolarHBondContact O-N 3.09Å; E460-Q464 VanDerWaalsContact O-N 3.09Å; S461-Q464 PolarHBondContact O-N 3.07Å; S461-Q464 VanDerWaalsContact O-N 3.13Å; Q464-Y468 VanDerWaalsContact O-CB 3.27Å; Q464-Y468 WeakPolarHBondContact O-CB 3.5Å; Q464-Y468 PolarHBondContact O-N 3.12Å
465I95.1Very high95.3Very high11 Ų1128.4 Ų28.46%0.05614%0.142CC..Hα-helixtrans-63.3-47.6175.8-67.6168.2000110.1K413 M416 I451 S461 I463 I467 Y468 L469K413-I465 HydrophobicContact CB-CD1 4.25Å; K413-I465 HydrophobicContact CB-CG1 4.29Å; K413-I465 HydrophobicContact CG-CG1 4.21Å; K413-I465 HydrophobicContact CG-CG2 4.43Å; M416-I465 HydrophobicContact SD-CG2 4.16Å; I451-I465 HydrophobicContact CD1-CG2 4.42Å; I451-I465 HydrophobicContact CG2-CB 4.11Å; I451-I465 HydrophobicContact CG2-CG2 4Å; S461-I465 WeakPolarHBondContact O-CG1 3.42Å; S461-I465 PolarHBondContact O-N 3.31Å; I463-I465 PolarHBondContact O-N 2.95Å; I465-I467 PolarHBondContact O-N 2.94Å; I465-Y468 PolarHBondContact O-N 3.35Å; I465-L469 HydrophobicContact CG2-CD1 3.85Å; I465-L469 HydrophobicContact CG2-CG 4.36Å; I465-L469 WeakPolarHBondContact O-CG 3.28Å; I465-L469 PolarHBondContact O-N 3.07Å
466A97.9Very high95.4Very high0 Ų029 Ų290%015%0.146CC..Hα-helixtrans-63.2-41.7-179.800000112.2W447 I451 A462 I463 N470 I486 I490W447-A466 HydrophobicContact CH2-CB 4.07Å; W447-A466 WeakPolarHBondContact CH2-O 3.1Å; W447-A466 HydrophobicContact CZ3-CB 3.94Å; I451-A466 HydrophobicContact CD1-CB 3.93Å; A462-A466 VanDerWaalsContact O-CB 3.28Å; A462-A466 WeakPolarHBondContact O-CB 3.4Å; A462-A466 PolarHBondContact O-N 3.37Å; I463-A466 PolarHBondContact O-N 3.09Å; A466-N470 WeakPolarHBondContact O-CB 3.33Å; A466-N470 PolarHBondContact O-N 3.43Å; A466-I486 HydrophobicContact CB-CD1 4.22Å; A466-I486 HydrophobicContact CB-CG1 4.18Å; A466-I486 HydrophobicContact CB-CG2 3.71Å; A466-I490 HydrophobicContact CB-CD1 3.91Å
467I95.6Very high95.4Very high24 Ų2426.4 Ų26.412%0.12312%0.124CC..Hα-helixtrans-63.8-51.1176-71.2173.3000109.9D386 I463 I465 L469 N470 D471 Y483 I486D386-I467 HydrophobicContact CB-CD1 3.75Å; D386-I467 WeakPolarHBondContact O-CD1 3.31Å; I463-I467 HydrophobicContact CG2-CD1 3.61Å; I463-I467 HydrophobicContact CG2-CG1 4.26Å; I463-I467 WeakPolarHBondContact O-CB 2.75Å; I463-I467 WeakPolarHBondContact O-CG1 3.32Å; I463-I467 PolarHBondContact O-N 3.07Å; I465-I467 PolarHBondContact O-N 2.94Å; I467-L469 VanDerWaalsContact C-N 3.35Å; I467-L469 PolarHBondContact O-N 2.63Å; I467-N470 PolarHBondContact O-N 3.37Å; I467-D471 WeakPolarHBondContact O-CB 3.42Å; I467-D471 PolarHBondContact O-N 3.02Å; I467-Y483 HydrophobicContact CD1-CD1 3.92Å; I467-Y483 HydrophobicContact CD1-CE1 4.18Å; I467-Y483 HydrophobicContact CG1-CD1 4.16Å; I467-Y483 HydrophobicContact CG1-CE1 4.37Å; I467-Y483 HydrophobicContact CG2-CD1 4.45Å; I467-Y483 HydrophobicContact CG2-CE1 3.83Å; I467-I486 HydrophobicContact CB-CD1 4.34Å; I467-I486 HydrophobicContact CG1-CD1 3.71Å; I467-I486 HydrophobicContact CG1-CG2 4.41Å
468Y94.4Very high95.5Very high64 Ų6420.4 Ų20.425%0.25110%0.096SC..Hα-helixtrans-54.3-49.8179.5165-92.8000111.9E417 Q464 I465 D471 R472E417-Y468 VanDerWaalsContact OE1-CE1 3.23Å; E417-Y468 WeakPolarHBondContact OE1-CE1 3.43Å; E417-Y468 PolarHBondContact OE1-OH 2.87Å; E417-Y468 PolarHBondContact OE2-OH 3.12Å; Q464-Y468 VanDerWaalsContact O-CB 3.27Å; Q464-Y468 WeakPolarHBondContact O-CB 3.5Å; Q464-Y468 PolarHBondContact O-N 3.12Å; I465-Y468 PolarHBondContact O-N 3.35Å; Y468-D471 PolarHBondContact O-N 3.47Å; Y468-R472 WeakPolarHBondContact O-CB 3.22Å; Y468-R472 PolarHBondContact O-N 2.95Å; Y468-R472 WeakPolarHBondContact OH-CD 3.5Å; Y468-R472 PolarHBondContact OH-NE 3.46Å
469L96.2Very high95.7Very high0 Ų020.5 Ų20.50%010%0.096CC..Hα-helixtrans-68.2-41.7-178.6-66.2176.1000111.9E417 W447 I451 I465 I467 D471 Y473E417-L469 HydrophobicContact CB-CD2 3.76Å; E417-L469 HydrophobicContact CG-CD2 3.67Å; W447-L469 HydrophobicContact CH2-CB 3.76Å; W447-L469 HydrophobicContact CH2-CD1 4.38Å; W447-L469 HydrophobicContact CZ2-CB 3.48Å; W447-L469 VanDerWaalsContact CZ2-CB 3.48Å; W447-L469 HydrophobicContact CZ2-CD1 3.6Å; W447-L469 HydrophobicContact CZ2-CG 4.17Å; I451-L469 HydrophobicContact CD1-CD1 4.33Å; I465-L469 HydrophobicContact CG2-CD1 3.85Å; I465-L469 HydrophobicContact CG2-CG 4.36Å; I465-L469 WeakPolarHBondContact O-CG 3.28Å; I465-L469 PolarHBondContact O-N 3.07Å; I467-L469 VanDerWaalsContact C-N 3.35Å; I467-L469 PolarHBondContact O-N 2.63Å; L469-D471 VanDerWaalsContact C-N 3.35Å; L469-D471 PolarHBondContact O-N 3.25Å; L469-Y473 HydrophobicContact CD2-CD2 4.37Å; L469-Y473 HydrophobicContact CD2-CE2 3.93Å; L469-Y473 WeakPolarHBondContact O-CD2 3.43Å; L469-Y473 PolarHBondContact O-N 3.46Å
470N97.2Very high95.8Very high8 Ų820.4 Ų20.44%0.04310%0.095CC..Hα-helixtrans-59.6-49.3176.9176.784.6000110.8R444 A466 I467 S474 I486R444-N470 PolarHBondContact NH1-OD1 3.09Å; A466-N470 WeakPolarHBondContact O-CB 3.33Å; A466-N470 PolarHBondContact O-N 3.43Å; I467-N470 PolarHBondContact O-N 3.37Å; N470-S474 WeakPolarHBondContact O-CA 3.27Å; N470-S474 WeakPolarHBondContact O-CB 3.34Å; N470-S474 PolarHBondContact O-N 3.21Å; N470-S474 PolarHBondContact O-OG 3.31Å; N470-I486 HydrophobicContact CB-CD1 3.91Å
471D94.7Very high96Very high5 Ų520 Ų203%0.02710%0.096CC..Hα-helixtrans-73.8-36.6-173-84.220.6000113.3Q104 K146 I467 Y468 L469 T478 Y483Q104-D471 PolarHBondContact NE2-O 3.37Å; K146-D471 IonicContact NZ-OD2 3.81Å; K146-D471 PolarHBondContact NZ-OD2 3.28Å; I467-D471 WeakPolarHBondContact O-CB 3.42Å; I467-D471 PolarHBondContact O-N 3.02Å; Y468-D471 PolarHBondContact O-N 3.47Å; L469-D471 VanDerWaalsContact C-N 3.35Å; L469-D471 PolarHBondContact O-N 3.25Å; D471-T478 VanDerWaalsContact CG-N 3.34Å; D471-T478 PolarHBondContact OD1-N 2.71Å; D471-Y483 PolarHBondContact OD2-OH 3.45Å
472R93.8Very high96.2Very high49 Ų4919.1 Ų19.119%0.1859%0.09CC..Hα-helixtrans-67-44.4177.8-177.6174.7-178.186.41.9111.5T101 Q104 D286 S288 V289 E417 Y468T101-R472 HydrophobicContact CG2-CG 4.11Å; T101-R472 WeakPolarHBondContact CG2-O 3.32Å; Q104-R472 PolarHBondContact NE2-O 3.29Å; D286-R472 IonicContact OD1-NH2 3.37Å; D286-R472 IonicContact OD2-CZ 2.87Å; D286-R472 IonicContact OD2-NE 3.82Å; D286-R472 IonicContact OD2-NH1 3.61Å; D286-R472 PolarHBondContact OD2-NH1 2.86Å; D286-R472 IonicContact OD2-NH2 2.87Å; D286-R472 PolarHBondContact OD2-NH2 2.94Å; S288-R472 PolarHBondContact OG-NH2 3.13Å; V289-R472 HydrophobicContact CG2-CG 4.18Å; E417-R472 IonicContact OE1-NE 3.49Å; E417-R472 PolarHBondContact OE1-NE 3.07Å; Y468-R472 WeakPolarHBondContact O-CB 3.22Å; Y468-R472 PolarHBondContact O-N 2.95Å; Y468-R472 WeakPolarHBondContact OH-CD 3.5Å; Y468-R472 PolarHBondContact OH-NE 3.46Å
473Y96.5Very high96.3Very high23 Ų2319.7 Ų19.79%0.099%0.092CC..Hα-helixtrans-101.8-28.4-168.7-66.9-71.4000114.8R103 V289 E417 L433 V434 G437 L469R103-Y473 PolarHBondContact NH1-O 3.34Å; V289-Y473 HydrophobicContact CG1-CD1 3.99Å; V289-Y473 HydrophobicContact CG2-CD1 3.77Å; V289-Y473 HydrophobicContact CG2-CE1 3.58Å; E417-Y473 HydrophobicContact CG-CE2 4.04Å; E417-Y473 WeakPolarHBondContact CG-OH 3.48Å; E417-Y473 PolarHBondContact OE1-OH 3Å; L433-Y473 HydrophobicContact CG-CG 4.39Å; V434-Y473 HydrophobicContact CB-CD1 4.25Å; V434-Y473 HydrophobicContact CB-CE1 4.32Å; V434-Y473 HydrophobicContact CG1-CD1 4.25Å; V434-Y473 HydrophobicContact CG1-CE1 3.98Å; V434-Y473 HydrophobicContact CG2-CD1 3.97Å; V434-Y473 HydrophobicContact CG2-CD2 4.31Å; V434-Y473 HydrophobicContact CG2-CE1 3.86Å; V434-Y473 HydrophobicContact CG2-CE2 4.24Å; V434-Y473 HydrophobicContact CG2-CG 4.19Å; G437-Y473 VanDerWaalsContact CA-O 3.23Å; G437-Y473 WeakPolarHBondContact CA-O 3.39Å; L469-Y473 HydrophobicContact CD2-CD2 4.37Å; L469-Y473 HydrophobicContact CD2-CE2 3.93Å; L469-Y473 WeakPolarHBondContact O-CD2 3.43Å; L469-Y473 PolarHBondContact O-N 3.46Å
474S97.3Very high96.4Very high1 Ų120.2 Ų20.21%0.00710%0.096CC..  trans-78.4136-175-540000111.8Q104 L433 G437 N470 D476 G477Q104-S474 PolarHBondContact NE2-O 2.79Å; L433-S474 WeakPolarHBondContact CD1-OG 3.46Å; G437-S474 CarbonylContact O-C 3.33Å; G437-S474 WeakPolarHBondContact O-CA 3.27Å; N470-S474 WeakPolarHBondContact O-CA 3.27Å; N470-S474 WeakPolarHBondContact O-CB 3.34Å; N470-S474 PolarHBondContact O-N 3.21Å; N470-S474 PolarHBondContact O-OG 3.31Å; S474-D476 VanDerWaalsContact CB-OD1 3.27Å; S474-D476 WeakPolarHBondContact CB-OD1 3.25Å; S474-D476 PolarHBondContact O-N 2.52Å; S474-G477 PolarHBondContact O-N 3.37Å
475L97.5Very high96.6Very high1 Ų116.1 Ų16.11%0.0059%0.086CC..THydrogen-bonded Turntrans-65.6-23.5165.1-81.9175000112.7R103 F107 V292 W294 A295 P334 H337 F338 G437R103-L475 HydrophobicContact CG-CD2 3.65Å; R103-L475 HydrophobicContact CG-CG 4.07Å; F107-L475 HydrophobicContact CB-CD2 3.74Å; F107-L475 HydrophobicContact CD2-CD1 4.36Å; F107-L475 HydrophobicContact CD2-CD2 4.22Å; F107-L475 HydrophobicContact CG-CD2 3.92Å; V292-L475 HydrophobicContact CG2-CD1 3.63Å; W294-L475 HydrophobicContact CZ2-CD1 4.15Å; A295-L475 HydrophobicContact CB-CD1 4.04Å; P334-L475 HydrophobicContact CB-CB 3.95Å; P334-L475 HydrophobicContact CB-CD1 4.3Å; P334-L475 HydrophobicContact CG-CB 3.91Å; P334-L475 HydrophobicContact CG-CD1 4.18Å; H337-L475 PolarHBondContact CD2-O 2.7Å; H337-L475 VanDerWaalsContact CD2-O 3.25Å; F338-L475 VanDerWaalsContact CE2-O 3.29Å; F338-L475 WeakPolarHBondContact CE2-O 3.45Å; G437-L475 PolarHBondContact O-N 3.41Å
476D97.6Very high96.8Very high14 Ų1416 Ų168%0.0759%0.085CC..THydrogen-bonded Turntrans-108.728.217662.411.2000111.8S333 H337 R444 S474S333-D476 WeakPolarHBondContact CB-OD2 3.39Å; S333-D476 PolarHBondContact OG-OD2 2.95Å; H337-D476 HydrophobicContact CB-CB 4.15Å; R444-D476 IonicContact CZ-OD1 2.66Å; R444-D476 IonicContact CZ-OD2 3.88Å; R444-D476 IonicContact NH1-OD1 3.69Å; R444-D476 PolarHBondContact NH1-OD1 3.01Å; R444-D476 IonicContact NH1-OD2 2.64Å; R444-D476 IonicContact NH2-OD1 2.66Å; R444-D476 PolarHBondContact NH2-OD1 2.88Å; R444-D476 IonicContact NH2-OD2 3.81Å; R444-D476 PolarHBondContact NH2-OD2 3.46Å; S474-D476 VanDerWaalsContact CB-OD1 3.27Å; S474-D476 WeakPolarHBondContact CB-OD1 3.25Å; S474-D476 PolarHBondContact O-N 2.52Å
477G94.9Very high96.8Very high1 Ų116 Ų161%0.019%0.086CC..  trans-82.3177.1174.900000112.1H337 S474 D479H337-G477 PolarHBondContact CE1-O 2.78Å; H337-G477 PolarHBondContact ND1-O 3.48Å; H337-G477 PolarHBondContact NE2-O 3.16Å; H337-G477 VanDerWaalsContact NE2-O 3.11Å; S474-G477 PolarHBondContact O-N 3.37Å; G477-D479 PolarHBondContact O-N 2.65Å
478T93.9Very high96.9Very high3 Ų316.5 Ų16.52%0.0189%0.086CC..SBendtrans54.942-178.1-31.20000112.5Y97 K146 L195 H337 D471Y97-T478 HydrophobicContact CE2-CG2 4.05Å; K146-T478 HydrophobicContact CD-CG2 4.06Å; K146-T478 WeakPolarHBondContact CE-OG1 3.4Å; K146-T478 PolarHBondContact NZ-OG1 2.78Å; L195-T478 WeakPolarHBondContact CD1-O 3.48Å; H337-T478 PolarHBondContact CE1-O 3.32Å; D471-T478 VanDerWaalsContact CG-N 3.34Å; D471-T478 PolarHBondContact OD1-N 2.71Å
479D97.3Very high97.1Very high5 Ų513.5 Ų13.53%0.0277%0.074CC..SBendtrans-132145.6-168.9-167.9-91.1000110R63 H337 G477 N481 G482 Y483R63-D479 IonicContact NH2-OD2 2.81Å; H337-D479 IonicContact CE1-OD2 3.72Å; H337-D479 IonicContact CG-OD2 2.72Å; H337-D479 IonicContact ND1-OD2 3.82Å; H337-D479 PolarHBondContact ND1-OD2 3.26Å; G477-D479 PolarHBondContact O-N 2.65Å; D479-N481 PolarHBondContact O-N 3.38Å; D479-N481 VanDerWaalsContact O-N 3.13Å; D479-N481 WeakPolarHBondContact OD1-CB 3.38Å; D479-N481 VanDerWaalsContact OD1-CG 3.31Å; D479-N481 PolarHBondContact OD1-N 3.32Å; D479-N481 PolarHBondContact OD1-ND2 3.33Å; D479-G482 WeakPolarHBondContact O-CA 3.37Å; D479-G482 PolarHBondContact O-N 2.92Å; D479-Y483 WeakPolarHBondContact O-CD2 3.14Å; D479-Y483 PolarHBondContact O-N 2.67Å; D479-Y483 VanDerWaalsContact O-N 3.11Å
480P98.3Very high97.2Very high0 Ų013.5 Ų13.50%07%0.074CC..Hα-helixtrans-48.9-39.3172.1-29.838.1000113P194 L195 A375 C379 G482 Y483 V484P194-P480 HydrophobicContact CG-CB 4.42Å; P194-P480 HydrophobicContact CG-CG 3.59Å; L195-P480 HydrophobicContact CD2-CG 3.91Å; L195-P480 HydrophobicContact CG-CG 4.19Å; A375-P480 HydrophobicContact CB-CB 4.22Å; C379-P480 HydrophobicContact CB-CB 4.28Å; P480-G482 VanDerWaalsContact C-N 3.31Å; P480-G482 PolarHBondContact O-N 2.87Å; P480-Y483 PolarHBondContact O-N 3.26Å; P480-V484 VanDerWaalsContact O-CB 3.26Å; P480-V484 WeakPolarHBondContact O-CB 3.49Å; P480-V484 WeakPolarHBondContact O-CG2 3.41Å; P480-V484 PolarHBondContact O-N 3.16Å
481N98.4Very high97.3Very high63 Ų6313.1 Ų13.134%0.3377%0.072SC..Hα-helixtrans-65.8-34177.1-61.9-64.6000112.7A375 D479 G485A375-N481 WeakPolarHBondContact CB-OD1 3.41Å; D479-N481 PolarHBondContact O-N 3.38Å; D479-N481 VanDerWaalsContact O-N 3.13Å; D479-N481 WeakPolarHBondContact OD1-CB 3.38Å; D479-N481 VanDerWaalsContact OD1-CG 3.31Å; D479-N481 PolarHBondContact OD1-N 3.32Å; D479-N481 PolarHBondContact OD1-ND2 3.33Å; N481-G485 WeakPolarHBondContact O-CA 3.38Å; N481-G485 PolarHBondContact O-N 3.34Å
482G97.6Very high97.4Very high5 Ų512.9 Ų12.95%0.0527%0.072CC..Hα-helixtrans-64-55.2174.700000111.3D479 P480 V484 G485 I486D479-G482 WeakPolarHBondContact O-CA 3.37Å; D479-G482 PolarHBondContact O-N 2.92Å; P480-G482 VanDerWaalsContact C-N 3.31Å; P480-G482 PolarHBondContact O-N 2.87Å; G482-V484 PolarHBondContact O-N 3.06Å; G482-G485 PolarHBondContact O-N 3.14Å; G482-I486 WeakPolarHBondContact O-CD1 3.4Å; G482-I486 WeakPolarHBondContact O-CG1 3.42Å; G482-I486 PolarHBondContact O-N 3.39Å
483Y97.9Very high97.6Very high12 Ų1210.6 Ų10.65%0.0476%0.063CC..Hα-helixtrans-58.6-49.5178-62.6-64.7000111.6L195 Y385 D386 I467 D471 D479 P480 G485 I486 M487L195-Y483 HydrophobicContact CD1-CE2 4.03Å; L195-Y483 HydrophobicContact CD2-CD2 3.68Å; L195-Y483 HydrophobicContact CD2-CE2 3.56Å; L195-Y483 HydrophobicContact CG-CE2 4.44Å; Y385-Y483 HydrophobicContact CD2-CD1 4.11Å; Y385-Y483 AromaticContact CD2-CD2 3.92Å; Y385-Y483 HydrophobicContact CD2-CD2 3.92Å; Y385-Y483 HydrophobicContact CD2-CE2 4.49Å; Y385-Y483 AromaticContact CD2-CG 3.72Å; Y385-Y483 HydrophobicContact CD2-CG 3.72Å; Y385-Y483 HydrophobicContact CE2-CD1 4.07Å; Y385-Y483 AromaticContact CE2-CD2 3.7Å; Y385-Y483 HydrophobicContact CE2-CD2 3.7Å; Y385-Y483 HydrophobicContact CE2-CE1 4.19Å; Y385-Y483 AromaticContact CE2-CE2 3.83Å; Y385-Y483 HydrophobicContact CE2-CE2 3.83Å; Y385-Y483 AromaticContact CE2-CG 3.85Å; Y385-Y483 HydrophobicContact CE2-CG 3.85Å; D386-Y483 HydrophobicContact CB-CD1 3.91Å; D386-Y483 HydrophobicContact CB-CE1 4.14Å; I467-Y483 HydrophobicContact CD1-CD1 3.92Å; I467-Y483 HydrophobicContact CD1-CE1 4.18Å; I467-Y483 HydrophobicContact CG1-CD1 4.16Å; I467-Y483 HydrophobicContact CG1-CE1 4.37Å; I467-Y483 HydrophobicContact CG2-CD1 4.45Å; I467-Y483 HydrophobicContact CG2-CE1 3.83Å; D471-Y483 PolarHBondContact OD2-OH 3.45Å; D479-Y483 WeakPolarHBondContact O-CD2 3.14Å; D479-Y483 PolarHBondContact O-N 2.67Å; D479-Y483 VanDerWaalsContact O-N 3.11Å; P480-Y483 PolarHBondContact O-N 3.26Å; Y483-G485 PolarHBondContact O-N 3.01Å; Y483-I486 PolarHBondContact O-N 3.03Å; Y483-M487 WeakPolarHBondContact O-CB 3.44Å; Y483-M487 VanDerWaalsContact O-CG 3.27Å; Y483-M487 WeakPolarHBondContact O-CG 3.07Å; Y483-M487 PolarHBondContact O-N 3.09Å
484V98.5Very high97.7Very high13 Ų1310.2 Ų10.28%0.0796%0.062CC..Hα-helixtrans-68.3-35.7-177.6172.60000111.5A375 F378 P480 G482 M487 W488A375-V484 HydrophobicContact CB-CB 3.82Å; A375-V484 HydrophobicContact CB-CG1 4.07Å; A375-V484 HydrophobicContact CB-CG2 3.8Å; F378-V484 HydrophobicContact CB-CG2 3.78Å; F378-V484 HydrophobicContact CD1-CG2 3.37Å; F378-V484 HydrophobicContact CE1-CG2 4.16Å; F378-V484 HydrophobicContact CG-CG2 3.81Å; P480-V484 VanDerWaalsContact O-CB 3.26Å; P480-V484 WeakPolarHBondContact O-CB 3.49Å; P480-V484 WeakPolarHBondContact O-CG2 3.41Å; P480-V484 PolarHBondContact O-N 3.16Å; G482-V484 PolarHBondContact O-N 3.06Å; V484-M487 PolarHBondContact O-N 3.46Å; V484-W488 WeakPolarHBondContact O-CB 3.33Å; V484-W488 PolarHBondContact O-N 2.69Å
485G98.3Very high97.7Very high37 Ų3710.9 Ų10.938%0.3817%0.065SC..Hα-helixtrans-62.7-41.9174.100000112.6N481 G482 Y483 A489N481-G485 WeakPolarHBondContact O-CA 3.38Å; N481-G485 PolarHBondContact O-N 3.34Å; G482-G485 PolarHBondContact O-N 3.14Å; Y483-G485 PolarHBondContact O-N 3.01Å; G485-A489 WeakPolarHBondContact O-CB 3.27Å; G485-A489 PolarHBondContact O-N 3.18Å
486I98.6Very high97.6Very high7 Ų716.2 Ų16.24%0.0369%0.09CC..Hα-helixtrans-67-47.2175.1-67.8162.7000110.4A466 I467 N470 G482 Y483 W488 A489 I490A466-I486 HydrophobicContact CB-CD1 4.22Å; A466-I486 HydrophobicContact CB-CG1 4.18Å; A466-I486 HydrophobicContact CB-CG2 3.71Å; I467-I486 HydrophobicContact CB-CD1 4.34Å; I467-I486 HydrophobicContact CG1-CD1 3.71Å; I467-I486 HydrophobicContact CG1-CG2 4.41Å; N470-I486 HydrophobicContact CB-CD1 3.91Å; G482-I486 WeakPolarHBondContact O-CD1 3.4Å; G482-I486 WeakPolarHBondContact O-CG1 3.42Å; G482-I486 PolarHBondContact O-N 3.39Å; Y483-I486 PolarHBondContact O-N 3.03Å; I486-W488 VanDerWaalsContact C-N 3.3Å; I486-W488 PolarHBondContact O-N 3.02Å; I486-A489 PolarHBondContact O-N 3.45Å; I486-I490 HydrophobicContact CG2-CD1 3.85Å; I486-I490 HydrophobicContact CG2-CG1 4.44Å; I486-I490 PolarHBondContact O-N 3.39Å
487M98.5Very high97.6Very high1 Ų117.4 Ų17.41%0.00511%0.106CC..Hα-helixtrans-66-31.4179-69.3-57.7-70.300112.8Y385 S387 A391 I463 Y483 V484 C491 G492 V493Y385-M487 VanDerWaalsContact O-CG 3.27Å; Y385-M487 WeakPolarHBondContact O-CG 3.38Å; S387-M487 WeakPolarHBondContact O-CE 3.11Å; A391-M487 HydrophobicContact CB-CE 4.39Å; I463-M487 HydrophobicContact CD1-SD 4.08Å; I463-M487 HydrophobicContact CG1-SD 4.32Å; I463-M487 HydrophobicContact CG2-SD 4.21Å; Y483-M487 WeakPolarHBondContact O-CB 3.44Å; Y483-M487 VanDerWaalsContact O-CG 3.27Å; Y483-M487 WeakPolarHBondContact O-CG 3.07Å; Y483-M487 PolarHBondContact O-N 3.09Å; V484-M487 PolarHBondContact O-N 3.46Å; M487-C491 HydrophobicContact CE-CB 3.76Å; M487-C491 CarbonylContact O-C 3.59Å; M487-C491 WeakPolarHBondContact O-CA 2.9Å; M487-C491 VanDerWaalsContact O-CB 3.29Å; M487-C491 WeakPolarHBondContact O-CB 3.25Å; M487-C491 PolarHBondContact O-N 2.94Å; M487-C491 HydrophobicContact SD-CB 4.45Å; M487-G492 PolarHBondContact O-N 3.14Å; M487-V493 HydrophobicContact CB-CB 3.97Å; M487-V493 HydrophobicContact CB-CG2 3.83Å; M487-V493 HydrophobicContact CE-CG2 4.25Å; M487-V493 PolarHBondContact O-N 3.31Å; M487-V493 VanDerWaalsContact O-N 3.15Å
488W98.5Very high97.8Very high34 Ų3421.6 Ų21.613%0.12912%0.121CC..Hα-helixtrans-64.7-44.7169.6175.794.1000110.7Q445 V484 I486 G492 V493Q445-W488 HydrophobicContact CB-CH2 4.46Å; Q445-W488 HydrophobicContact CB-CZ3 3.79Å; Q445-W488 HydrophobicContact CG-CE3 4.09Å; Q445-W488 HydrophobicContact CG-CH2 4.07Å; Q445-W488 HydrophobicContact CG-CZ3 3.45Å; Q445-W488 VanDerWaalsContact CG-CZ3 3.45Å; Q445-W488 VanDerWaalsContact OE1-CZ3 3.31Å; V484-W488 WeakPolarHBondContact O-CB 3.33Å; V484-W488 PolarHBondContact O-N 2.69Å; I486-W488 VanDerWaalsContact C-N 3.3Å; I486-W488 PolarHBondContact O-N 3.02Å; W488-G492 WeakPolarHBondContact O-CA 3.42Å; W488-G492 PolarHBondContact O-N 2.83Å; W488-V493 WeakPolarHBondContact CA-O 3.24Å; W488-V493 WeakPolarHBondContact CB-O 3.42Å
489A98.4Very high98Very high1 Ų126.6 Ų26.61%0.00815%0.154CC..Hα-helixtrans-71.2-43.6-175.800000112.7A448 K449 G485 I486 I507A448-A489 HydrophobicContact CB-CB 3.51Å; K449-A489 HydrophobicContact CG-CB 4.22Å; K449-A489 WeakPolarHBondContact CG-O 3.23Å; K449-A489 PolarHBondContact NZ-O 3.08Å; G485-A489 WeakPolarHBondContact O-CB 3.27Å; G485-A489 PolarHBondContact O-N 3.18Å; I486-A489 PolarHBondContact O-N 3.45Å; A489-I507 WeakPolarHBondContact O-CG2 3.24Å
490I98.4Very high98Very high0 Ų031.6 Ų31.60%018%0.177CC..Hα-helixtrans-94.9-38.8-173.1-61.4-178.8000111.6A448 L452 A462 I463 A466 I486A448-I490 HydrophobicContact CB-CG1 4.37Å; L452-I490 HydrophobicContact CB-CG1 4.34Å; L452-I490 HydrophobicContact CB-CG2 4.24Å; L452-I490 HydrophobicContact CD1-CG2 4.13Å; L452-I490 HydrophobicContact CD2-CG2 4.21Å; L452-I490 HydrophobicContact CG-CG2 4.42Å; A462-I490 HydrophobicContact CB-CD1 4.26Å; I463-I490 HydrophobicContact CD1-CG2 4.48Å; I463-I490 HydrophobicContact CG1-CB 4.34Å; I463-I490 HydrophobicContact CG1-CD1 4.28Å; I463-I490 HydrophobicContact CG1-CG2 3.81Å; A466-I490 HydrophobicContact CB-CD1 3.91Å; I486-I490 HydrophobicContact CG2-CD1 3.85Å; I486-I490 HydrophobicContact CG2-CG1 4.44Å; I486-I490 PolarHBondContact O-N 3.39Å
491C98.1Very high98Very high0 Ų035.6 Ų35.60%019%0.192CC..Hα-helixtrans-1157.9-172.6-60.90000114.5A391 A395 L399 I463 M487 V493A391-C491 HydrophobicContact CB-CB 3.76Å; A395-C491 WeakPolarHBondContact CB-O 3.34Å; L399-C491 HydrophobicContact CD1-CB 4.43Å; I463-C491 VanDerWaalsContact CD1-SG 3.52Å; M487-C491 HydrophobicContact CE-CB 3.76Å; M487-C491 CarbonylContact O-C 3.59Å; M487-C491 WeakPolarHBondContact O-CA 2.9Å; M487-C491 VanDerWaalsContact O-CB 3.29Å; M487-C491 WeakPolarHBondContact O-CB 3.25Å; M487-C491 PolarHBondContact O-N 2.94Å; M487-C491 HydrophobicContact SD-CB 4.45Å; C491-V493 HydrophobicContact CB-CG2 4.4Å; C491-V493 PolarHBondContact O-N 2.74Å; C491-V493 VanDerWaalsContact O-N 3.07Å
492G97.9Very high97.9Very high1 Ų137 Ų371%0.0121%0.205CC..  trans61.820.8176.900000114M487 W488 H494 D495M487-G492 PolarHBondContact O-N 3.14Å; W488-G492 WeakPolarHBondContact O-CA 3.42Å; W488-G492 PolarHBondContact O-N 2.83Å; G492-H494 PolarHBondContact O-N 3Å; G492-D495 PolarHBondContact O-N 3.18Å
493V98.1Very high97.9Very high0 Ų037.7 Ų37.70%021%0.207CC..THydrogen-bonded Turntrans-59.2127173.3167.60000108.8F378 Y392 M487 W488 C491 D495F378-V493 HydrophobicContact CD2-CG1 3.62Å; F378-V493 HydrophobicContact CE2-CB 4.27Å; F378-V493 HydrophobicContact CE2-CG1 3.31Å; F378-V493 HydrophobicContact CE2-CG2 3.91Å; F378-V493 HydrophobicContact CG-CG1 4.38Å; F378-V493 HydrophobicContact CZ-CG1 3.86Å; F378-V493 HydrophobicContact CZ-CG2 3.98Å; Y392-V493 HydrophobicContact CE2-CG1 4.43Å; M487-V493 HydrophobicContact CB-CB 3.97Å; M487-V493 HydrophobicContact CB-CG2 3.83Å; M487-V493 HydrophobicContact CE-CG2 4.25Å; M487-V493 PolarHBondContact O-N 3.31Å; M487-V493 VanDerWaalsContact O-N 3.15Å; W488-V493 WeakPolarHBondContact CA-O 3.24Å; W488-V493 WeakPolarHBondContact CB-O 3.42Å; C491-V493 HydrophobicContact CB-CG2 4.4Å; C491-V493 PolarHBondContact O-N 2.74Å; C491-V493 VanDerWaalsContact O-N 3.07Å; V493-D495 PolarHBondContact O-N 2.58Å
494H98Very high97.9Very high15 Ų1537.1 Ų37.17%0.06921%0.205CC..THydrogen-bonded Turntrans6514-174.8-47.1-43.9000116E234 Y235 L374 F378 G492E234-H494 PolarHBondContact O-CE1 3.14Å; E234-H494 VanDerWaalsContact O-CE1 3.24Å; E234-H494 PolarHBondContact O-ND1 3.42Å; Y235-H494 VanDerWaalsContact O-CA 3.26Å; Y235-H494 WeakPolarHBondContact O-CA 3.19Å; Y235-H494 PolarHBondContact O-ND1 2.72Å; L374-H494 HydrophobicContact CD2-CB 4.07Å; F378-H494 AromaticContact CD2-CE1 3.86Å; F378-H494 AromaticContact CD2-NE2 3.74Å; F378-H494 AromaticContact CG-NE2 3.94Å; G492-H494 PolarHBondContact O-N 3Å
495D97.5Very high97.9Very high15 Ų1536.5 Ų36.58%0.0820%0.201CC..SBendtrans-115168.7169.6-153.7-1.6000110.8Y235 G492 V493 R508Y235-D495 PolarHBondContact OH-O 2.83Å; G492-D495 PolarHBondContact O-N 3.18Å; V493-D495 PolarHBondContact O-N 2.58Å; D495-R508 IonicContact OD1-CZ 2.84Å; D495-R508 IonicContact OD1-NE 3.36Å; D495-R508 IonicContact OD1-NH2 3.56Å; D495-R508 PolarHBondContact OD1-NH2 3.24Å; D495-R508 IonicContact OD2-CZ 2.76Å; D495-R508 IonicContact OD2-NE 3.85Å; D495-R508 PolarHBondContact OD2-NE 3.41Å; D495-R508 IonicContact OD2-NH2 3.61Å; D495-R508 PolarHBondContact OD2-NH2 2.73Å
496Q96.1Very high97.9Very high113 Ų11339.2 Ų39.253%0.52820%0.202SC..  trans-91.6164.9169.466.4-175.223.100111W498Q496-W498 HydrophobicContact CG-CZ2 4.3Å; Q496-W498 PolarHBondContact O-NE1 3.24Å
497G97.2Very high97.9Very high39 Ų3938.9 Ų38.940%0.40220%0.2SC..  trans-68.2145.916800000112.6
498W98.1Very high97.9Very high90 Ų9042.2 Ų42.234%0.34121%0.213SC..  trans-117.5168.2178.2-71.681.4000110.6Q496 E500 K506 R508Q496-W498 HydrophobicContact CG-CZ2 4.3Å; Q496-W498 PolarHBondContact O-NE1 3.24Å; W498-E500 PolarHBondContact O-N 2.72Å; W498-K506 PolarHBondContact N-O 3.09Å; W498-K506 WeakPolarHBondContact O-CA 3.4Å; W498-K506 WeakPolarHBondContact O-CB 3.15Å; W498-K506 WeakPolarHBondContact O-CG 2.94Å; W498-R508 VanDerWaalsContact CD1-CB 3.48Å; W498-R508 HydrophobicContact CD2-CB 4.44Å; W498-R508 HydrophobicContact CD2-CG 4.25Å; W498-R508 VanDerWaalsContact CE2-CZ 3.45Å; W498-R508 HydrophobicContact CG-CB 4.02Å; W498-R508 HydrophobicContact CG-CG 4.32Å
499P98.1Very high97.8Very high107 Ų10743.6 Ų43.670%0.69522%0.219SC*.  trans-51.1131.9174.6-28.536.5000111.9
500E98.3Very high97.8Very high111 Ų11144.7 Ų44.752%0.51922%0.224SC..  trans-65.3142.8-174.2-172159-131.600112H402 W498 G505 K506H402-E500 IonicContact NE2-OE1 3.66Å; H402-E500 PolarHBondContact NE2-OE1 3.31Å; W498-E500 PolarHBondContact O-N 2.72Å; E500-G505 CarbonylContact C-O 3.5Å; E500-G505 VanDerWaalsContact CA-O 3.32Å; E500-G505 WeakPolarHBondContact CA-O 3.47Å; E500-K506 HydrophobicContact CB-CG 4.12Å; E500-K506 HydrophobicContact CG-CG 4.46Å
501R97.5Very high97.6Very high84 Ų8447.2 Ų47.232%0.31724%0.237SC..BIsolated β-bridgetrans-152.8158.4178.970.2-167.2-9.8-103.7-5.6111.1F504 G505 Y509R501-F504 HydrophobicContact CG-CB 3.66Å; R501-F504 HydrophobicContact CG-CD2 4.42Å; R501-F504 HydrophobicContact CG-CG 4.38Å; R501-G505 PolarHBondContact N-O 2.7Å; R501-G505 WeakPolarHBondContact O-CA 3.38Å; R501-G505 PolarHBondContact O-N 3.49Å; R501-Y509 VanDerWaalsContact CZ-CG 3.42Å
502P97.3Very high97.6Very high93 Ų9350.4 Ų50.460%0.60425%0.25SC*.THydrogen-bonded Turntrans-52.6145.5173.9-26.335000112.5D405 F504D405-P502 WeakPolarHBondContact OD2-CA 3.49Å; P502-F504 PolarHBondContact O-N 2.63Å
503I97.3Very high97.6Very high18 Ų1857.4 Ų57.49%0.09228%0.28CS..THydrogen-bonded Turntrans68.7-49-179.2-56.7159.5000113.9D405 R407 L452D405-I503 HydrophobicContact CB-CG1 3.94Å; D405-I503 PolarHBondContact OD2-N 3.13Å; R407-I503 HydrophobicContact CG-CD1 4.01Å; R407-I503 HydrophobicContact CG-CG1 4.21Å; R407-I503 HydrophobicContact CG-CG2 4.36Å; L452-I503 WeakPolarHBondContact O-CG2 3.38Å
504F97.9Very high97.5Very high1 Ų158.1 Ų58.10%0.00429%0.287CS..THydrogen-bonded Turntrans-83.4-21.3-176.1-74.1-101.3000113.3K449 L452 E453 R501 P502 K506 I507 Y509K449-F504 HydrophobicContact CB-CE1 4.07Å; K449-F504 HydrophobicContact CB-CZ 4.47Å; K449-F504 HydrophobicContact CG-CE1 4.37Å; K449-F504 VanDerWaalsContact O-CZ 3.27Å; K449-F504 WeakPolarHBondContact O-CZ 3.13Å; L452-F504 HydrophobicContact CD2-CD1 3.73Å; L452-F504 HydrophobicContact CD2-CE1 3.92Å; L452-F504 HydrophobicContact CD2-CG 4.35Å; L452-F504 HydrophobicContact CG-CE1 4.45Å; E453-F504 HydrophobicContact CB-CE2 3.66Å; E453-F504 HydrophobicContact CB-CZ 3.78Å; E453-F504 HydrophobicContact CG-CE2 3.72Å; E453-F504 HydrophobicContact CG-CZ 4.27Å; R501-F504 HydrophobicContact CG-CB 3.66Å; R501-F504 HydrophobicContact CG-CD2 4.42Å; R501-F504 HydrophobicContact CG-CG 4.38Å; P502-F504 PolarHBondContact O-N 2.63Å; F504-K506 PolarHBondContact O-N 2.87Å; F504-K506 VanDerWaalsContact O-N 3.15Å; F504-I507 HydrophobicContact CB-CB 4.31Å; F504-I507 HydrophobicContact CD1-CB 4.23Å; F504-I507 HydrophobicContact CD1-CG2 4.21Å; F504-I507 VanDerWaalsContact O-CB 3.31Å; F504-I507 WeakPolarHBondContact O-CB 3.25Å; F504-I507 VanDerWaalsContact O-CG1 3.25Å; F504-I507 WeakPolarHBondContact O-CG1 2.97Å; F504-I507 PolarHBondContact O-N 3Å; F504-Y509 HydrophobicContact CD1-CD2 4.3Å; F504-Y509 AromaticContact CD2-CD2 3.86Å; F504-Y509 HydrophobicContact CD2-CD2 3.86Å; F504-Y509 HydrophobicContact CD2-CE2 4.19Å; F504-Y509 AromaticContact CE1-CD2 4Å; F504-Y509 HydrophobicContact CE1-CD2 4Å; F504-Y509 AromaticContact CE2-CD2 3.51Å; F504-Y509 HydrophobicContact CE2-CD2 3.51Å; F504-Y509 AromaticContact CE2-CE2 3.53Å; F504-Y509 HydrophobicContact CE2-CE2 3.53Å; F504-Y509 HydrophobicContact CG-CD2 4.24Å; F504-Y509 AromaticContact CZ-CD2 3.58Å; F504-Y509 HydrophobicContact CZ-CD2 3.58Å; F504-Y509 AromaticContact CZ-CE2 3.79Å; F504-Y509 HydrophobicContact CZ-CE2 3.79Å
505G97.6Very high97.5Very high0 Ų057.5 Ų57.50%028%0.284CS..BIsolated β-bridgetrans52.1-122.9-163.200000110.1S398 H402 E500 R501S398-G505 VanDerWaalsContact OG-CA 3.31Å; S398-G505 WeakPolarHBondContact OG-CA 3.29Å; H402-G505 WeakPolarHBondContact CD2-CA 3.07Å; E500-G505 CarbonylContact C-O 3.5Å; E500-G505 VanDerWaalsContact CA-O 3.32Å; E500-G505 WeakPolarHBondContact CA-O 3.47Å; R501-G505 PolarHBondContact N-O 2.7Å; R501-G505 WeakPolarHBondContact O-CA 3.38Å; R501-G505 PolarHBondContact O-N 3.49Å
506K98.3Very high97.5Very high93 Ų9361.2 Ų61.240%0.40430%0.304SS..THydrogen-bonded Turntrans-93.59.3-178.7-62.7175.4-174.6169.40113.7W394 S398 W498 E500 F504W394-K506 HydrophobicContact CE3-CB 4.28Å; W394-K506 HydrophobicContact CZ3-CB 3.89Å; S398-K506 PolarHBondContact OG-N 2.75Å; W498-K506 PolarHBondContact N-O 3.09Å; W498-K506 WeakPolarHBondContact O-CA 3.4Å; W498-K506 WeakPolarHBondContact O-CB 3.15Å; W498-K506 WeakPolarHBondContact O-CG 2.94Å; E500-K506 HydrophobicContact CB-CG 4.12Å; E500-K506 HydrophobicContact CG-CG 4.46Å; F504-K506 PolarHBondContact O-N 2.87Å; F504-K506 VanDerWaalsContact O-N 3.15Å
507I98.5Very high97.5Very high0 Ų065 Ų650%031%0.313CS..SBendtrans-70.5139174.1-57.7-54.6000109.9W394 A395 L399 L452 A489 F504 Y509W394-I507 HydrophobicContact CH2-CD1 3.95Å; W394-I507 HydrophobicContact CZ3-CD1 4.04Å; A395-I507 HydrophobicContact CB-CD1 3.94Å; L399-I507 HydrophobicContact CD1-CG1 4.42Å; L399-I507 HydrophobicContact CD2-CG1 3.84Å; L399-I507 HydrophobicContact CG-CD1 4.46Å; L399-I507 HydrophobicContact CG-CG1 4.05Å; L452-I507 HydrophobicContact CD2-CG2 4.41Å; A489-I507 WeakPolarHBondContact O-CG2 3.24Å; F504-I507 HydrophobicContact CB-CB 4.31Å; F504-I507 HydrophobicContact CD1-CB 4.23Å; F504-I507 HydrophobicContact CD1-CG2 4.21Å; F504-I507 VanDerWaalsContact O-CB 3.31Å; F504-I507 WeakPolarHBondContact O-CB 3.25Å; F504-I507 VanDerWaalsContact O-CG1 3.25Å; F504-I507 WeakPolarHBondContact O-CG1 2.97Å; F504-I507 PolarHBondContact O-N 3Å; I507-Y509 PolarHBondContact O-N 3.43Å
508R98.3Very high97.3Very high71 Ų7169.2 Ų69.227%0.26832%0.321SS..PPolyproline II helixtrans-53125.3178.3-175.5-171.1-64.2-102.63.2110.8K449 D495 W498K449-R508 VanDerWaalsContact CD-O 3.31Å; K449-R508 WeakPolarHBondContact CD-O 3.19Å; K449-R508 VanDerWaalsContact CE-O 3.23Å; K449-R508 WeakPolarHBondContact CE-O 3.5Å; K449-R508 PolarHBondContact NZ-O 3.36Å; D495-R508 IonicContact OD1-CZ 2.84Å; D495-R508 IonicContact OD1-NE 3.36Å; D495-R508 IonicContact OD1-NH2 3.56Å; D495-R508 PolarHBondContact OD1-NH2 3.24Å; D495-R508 IonicContact OD2-CZ 2.76Å; D495-R508 IonicContact OD2-NE 3.85Å; D495-R508 PolarHBondContact OD2-NE 3.41Å; D495-R508 IonicContact OD2-NH2 3.61Å; D495-R508 PolarHBondContact OD2-NH2 2.73Å; W498-R508 VanDerWaalsContact CD1-CB 3.48Å; W498-R508 HydrophobicContact CD2-CB 4.44Å; W498-R508 HydrophobicContact CD2-CG 4.25Å; W498-R508 VanDerWaalsContact CE2-CZ 3.45Å; W498-R508 HydrophobicContact CG-CB 4.02Å; W498-R508 HydrophobicContact CG-CG 4.32Å
509Y97.4Very high97.2Very high64 Ų6465.5 Ų65.525%0.25131%0.307SS..PPolyproline II helixtrans-89.4145.4177.2-173.9-120.4000113.1E453 R501 F504 I507 N511E453-Y509 WeakPolarHBondContact OE1-CE2 3.28Å; E453-Y509 PolarHBondContact OE1-OH 3.42Å; R501-Y509 VanDerWaalsContact CZ-CG 3.42Å; F504-Y509 HydrophobicContact CD1-CD2 4.3Å; F504-Y509 AromaticContact CD2-CD2 3.86Å; F504-Y509 HydrophobicContact CD2-CD2 3.86Å; F504-Y509 HydrophobicContact CD2-CE2 4.19Å; F504-Y509 AromaticContact CE1-CD2 4Å; F504-Y509 HydrophobicContact CE1-CD2 4Å; F504-Y509 AromaticContact CE2-CD2 3.51Å; F504-Y509 HydrophobicContact CE2-CD2 3.51Å; F504-Y509 AromaticContact CE2-CE2 3.53Å; F504-Y509 HydrophobicContact CE2-CE2 3.53Å; F504-Y509 HydrophobicContact CG-CD2 4.24Å; F504-Y509 AromaticContact CZ-CD2 3.58Å; F504-Y509 HydrophobicContact CZ-CD2 3.58Å; F504-Y509 AromaticContact CZ-CE2 3.79Å; F504-Y509 HydrophobicContact CZ-CE2 3.79Å; I507-Y509 PolarHBondContact O-N 3.43Å; Y509-N511 HydrophobicContact CD1-CB 4.37Å; Y509-N511 HydrophobicContact CE1-CB 3.49Å; Y509-N511 VanDerWaalsContact CE1-CB 3.49Å
510M97.1Very high97.1Very high23 Ų2362.8 Ų62.811%0.11329%0.29CS..  trans-134.4133.9168.1-70.9178.762.600109.4F442 Q445 Y446 K449F442-M510 HydrophobicContact CE1-CE 3.74Å; F442-M510 HydrophobicContact CE2-CE 4.11Å; F442-M510 HydrophobicContact CZ-CE 3.5Å; F442-M510 VanDerWaalsContact CZ-CE 3.5Å; Q445-M510 HydrophobicContact CB-CE 4.31Å; Q445-M510 HydrophobicContact CB-SD 3.85Å; Y446-M510 HydrophobicContact CD2-CB 4.14Å; Y446-M510 HydrophobicContact CD2-CE 4.4Å; K449-M510 HydrophobicContact CD-CB 3.97Å; K449-M510 HydrophobicContact CD-CG 3.75Å; K449-M510 HydrophobicContact CD-SD 3.81Å
511N96.2Very high97Very high53 Ų5357.6 Ų57.628%0.28327%0.266SS..  trans-130161.917861.914.4000112.9Y509 K513 G514 C515Y509-N511 HydrophobicContact CD1-CB 4.37Å; Y509-N511 HydrophobicContact CE1-CB 3.49Å; Y509-N511 VanDerWaalsContact CE1-CB 3.49Å; N511-K513 VanDerWaalsContact C-N 3.34Å; N511-K513 PolarHBondContact O-N 3.03Å; N511-G514 WeakPolarHBondContact O-CA 3.49Å; N511-G514 PolarHBondContact O-N 3.47Å; N511-G514 WeakPolarHBondContact OD1-CA 3.46Å; N511-G514 PolarHBondContact OD1-N 3.08Å; N511-C515 PolarHBondContact O-N 3.33Å; N511-C515 VanDerWaalsContact O-N 3.11Å
512Y97.9Very high97Very high68 Ų6857.6 Ų57.627%0.26728%0.279SS..Hα-helixtrans-51.1-49.4179.1-166.6-87.3000113.1D423 D424 L425 Y446 G514 C515 L516 V521D423-Y512 WeakPolarHBondContact OD1-CD2 3.27Å; D424-Y512 WeakPolarHBondContact OD1-CE2 3.18Å; D424-Y512 PolarHBondContact OD1-OH 3.31Å; D424-Y512 PolarHBondContact OD2-OH 3.39Å; L425-Y512 HydrophobicContact CB-CD2 3.94Å; L425-Y512 HydrophobicContact CB-CE2 3.51Å; L425-Y512 HydrophobicContact CD2-CD2 4.48Å; Y446-Y512 PolarHBondContact OH-N 3.38Å; Y512-G514 PolarHBondContact O-N 2.97Å; Y512-C515 WeakPolarHBondContact O-CA 3.29Å; Y512-C515 WeakPolarHBondContact O-CB 3.15Å; Y512-C515 PolarHBondContact O-N 3.18Å; Y512-L516 HydrophobicContact CD1-CD1 3.78Å; Y512-L516 HydrophobicContact CD1-CG 3.99Å; Y512-L516 HydrophobicContact CE1-CD1 3.67Å; Y512-L516 HydrophobicContact CE1-CD2 4.05Å; Y512-L516 HydrophobicContact CE1-CG 3.8Å; Y512-L516 PolarHBondContact O-N 3.37Å; Y512-V521 HydrophobicContact CE2-CG1 4.07Å; Y512-V521 WeakPolarHBondContact OH-CG1 3.39Å
513K97.4Very high96.9Very high148 Ų14856 Ų5664%0.64327%0.268SS*.Hα-helixtrans-58.9-33.5176.8-67.5-174.7179.8-1800112.5N511 R517N511-K513 VanDerWaalsContact C-N 3.34Å; N511-K513 PolarHBondContact O-N 3.03Å; K513-R517 PolarHBondContact O-N 3.11Å; K513-R517 PolarHBondContact O-NH1 3.01Å
514G96.6Very high96.9Very high14 Ų1455.1 Ų55.114%0.14426%0.263CS..Hα-helixtrans-67.9-37.417400000112.9N511 Y512 R517N511-G514 WeakPolarHBondContact O-CA 3.49Å; N511-G514 PolarHBondContact O-N 3.47Å; N511-G514 WeakPolarHBondContact OD1-CA 3.46Å; N511-G514 PolarHBondContact OD1-N 3.08Å; Y512-G514 PolarHBondContact O-N 2.97Å; G514-R517 PolarHBondContact O-N 3.33Å
515C97.4Very high96.8Very high2 Ų256.2 Ų56.21%0.01427%0.27CS..Hα-helixtrans-68-42.6174.4-63.10000111.9L425 Y446 N511 Y512 R517 K518 F519 V521L425-C515 HydrophobicContact CD2-CB 3.57Å; Y446-C515 VanDerWaalsContact CD2-SG 3.55Å; N511-C515 PolarHBondContact O-N 3.33Å; N511-C515 VanDerWaalsContact O-N 3.11Å; Y512-C515 WeakPolarHBondContact O-CA 3.29Å; Y512-C515 WeakPolarHBondContact O-CB 3.15Å; Y512-C515 PolarHBondContact O-N 3.18Å; C515-R517 PolarHBondContact O-N 2.86Å; C515-R517 VanDerWaalsContact O-N 3.13Å; C515-K518 PolarHBondContact O-N 3.11Å; C515-F519 HydrophobicContact CB-CE1 3.88Å; C515-F519 HydrophobicContact CB-CZ 3.94Å; C515-F519 PolarHBondContact O-N 3.32Å; C515-F519 VanDerWaalsContact O-N 3.17Å; C515-V521 HydrophobicContact CB-CG2 4.17Å
516L96.6Very high96.7Very high93 Ų9360.7 Ų60.749%0.48730%0.301SS..Hα-helixtrans-55.3-31175.7-74.6173.6000113.7Y512 K518 V521Y512-L516 HydrophobicContact CD1-CD1 3.78Å; Y512-L516 HydrophobicContact CD1-CG 3.99Å; Y512-L516 HydrophobicContact CE1-CD1 3.67Å; Y512-L516 HydrophobicContact CE1-CD2 4.05Å; Y512-L516 HydrophobicContact CE1-CG 3.8Å; Y512-L516 PolarHBondContact O-N 3.37Å; L516-K518 VanDerWaalsContact C-N 3.31Å; L516-V521 HydrophobicContact CD2-CB 3.82Å; L516-V521 HydrophobicContact CD2-CG2 3.73Å; L516-V521 HydrophobicContact CG-CG2 4.18Å
517R96.1Very high96.6Very high192 Ų19262 Ų6273%0.72530%0.304SS*.THydrogen-bonded Turntrans-79.3-11.3177.2-68.1-171.4-60.9-85.95.3113.9K513 G514 C515K513-R517 PolarHBondContact O-N 3.11Å; K513-R517 PolarHBondContact O-NH1 3.01Å; G514-R517 PolarHBondContact O-N 3.33Å; C515-R517 PolarHBondContact O-N 2.86Å; C515-R517 VanDerWaalsContact O-N 3.13Å
518K93.5Very high96.4Very high129 Ų12963.6 Ų63.656%0.56131%0.31SS*.THydrogen-bonded Turntrans-106.7-34.1-174.1-72.3-175.2174.7-169.80113.4F442 C515 L516F442-K518 HydrophobicContact CE2-CD 3.89Å; F442-K518 HydrophobicContact CZ-CD 3.65Å; C515-K518 PolarHBondContact O-N 3.11Å; L516-K518 VanDerWaalsContact C-N 3.31Å
519F95.7Very high96Very high12 Ų1263.6 Ų63.65%0.05332%0.319CS..SBendtrans-156.9166.9-179.361.5-88.5000111.2D323 P324 L425 F442 L443 C515 V521 F524D323-F519 HydrophobicContact CB-CB 4.21Å; D323-F519 VanDerWaalsContact CG-CB 3.43Å; D323-F519 WeakPolarHBondContact OD1-CB 3.33Å; P324-F519 HydrophobicContact CG-CD1 4.32Å; P324-F519 HydrophobicContact CG-CD2 4.23Å; P324-F519 HydrophobicContact CG-CE1 4.03Å; P324-F519 HydrophobicContact CG-CE2 3.91Å; P324-F519 HydrophobicContact CG-CG 4.44Å; P324-F519 HydrophobicContact CG-CZ 3.81Å; L425-F519 HydrophobicContact CD1-CE2 4.01Å; L425-F519 HydrophobicContact CD1-CZ 4Å; L425-F519 HydrophobicContact CD2-CZ 4.14Å; F442-F519 AromaticContact CD1-CE1 3.82Å; F442-F519 HydrophobicContact CD1-CE1 3.82Å; F442-F519 HydrophobicContact CD1-CZ 4.5Å; F442-F519 HydrophobicContact CE1-CD1 4.45Å; F442-F519 AromaticContact CE1-CE1 3.61Å; F442-F519 HydrophobicContact CE1-CE1 3.61Å; F442-F519 HydrophobicContact CE1-CZ 4.44Å; F442-F519 HydrophobicContact CZ-CE1 4.5Å; L443-F519 HydrophobicContact CD2-CZ 4Å; C515-F519 HydrophobicContact CB-CE1 3.88Å; C515-F519 HydrophobicContact CB-CZ 3.94Å; C515-F519 PolarHBondContact O-N 3.32Å; C515-F519 VanDerWaalsContact O-N 3.17Å; F519-V521 HydrophobicContact CD2-CG2 4.29Å; F519-V521 HydrophobicContact CE2-CB 4.47Å; F519-V521 HydrophobicContact CE2-CG2 3.81Å; F519-V521 HydrophobicContact CZ-CG2 4.17Å; F519-V521 PolarHBondContact O-N 2.82Å; F519-F524 HydrophobicContact CE2-CB 4.45Å
520S96.2Very high95.4Very high50 Ų5068.7 Ų68.735%0.3535%0.345SS..  trans-73.197.2174.7-177.10000110.8S522 T523 F524S520-S522 VanDerWaalsContact C-N 3.34Å; S520-S522 PolarHBondContact OG-OG 3.22Å; S520-T523 WeakPolarHBondContact CB-OG1 2.92Å; S520-T523 PolarHBondContact O-N 2.82Å; S520-T523 VanDerWaalsContact OG-CB 3.28Å; S520-T523 WeakPolarHBondContact OG-CB 2.99Å; S520-T523 PolarHBondContact OG-N 3.4Å; S520-T523 PolarHBondContact OG-OG1 3.2Å; S520-F524 PolarHBondContact O-N 3.33Å
521V97Very high94.6Very high1 Ų175.5 Ų75.51%0.00637%0.374CS..Hα-helixtrans-60.4-44.9176.9174.20000110.7L425 Y512 C515 L516 F519 T523 F524 V525L425-V521 HydrophobicContact CB-CG1 3.84Å; L425-V521 HydrophobicContact CD1-CG1 3.95Å; L425-V521 HydrophobicContact CD1-CG2 4.49Å; L425-V521 HydrophobicContact CD2-CG1 4.46Å; L425-V521 HydrophobicContact CD2-CG2 4.25Å; L425-V521 HydrophobicContact CG-CG1 4.29Å; Y512-V521 HydrophobicContact CE2-CG1 4.07Å; Y512-V521 WeakPolarHBondContact OH-CG1 3.39Å; C515-V521 HydrophobicContact CB-CG2 4.17Å; L516-V521 HydrophobicContact CD2-CB 3.82Å; L516-V521 HydrophobicContact CD2-CG2 3.73Å; L516-V521 HydrophobicContact CG-CG2 4.18Å; F519-V521 HydrophobicContact CD2-CG2 4.29Å; F519-V521 HydrophobicContact CE2-CB 4.47Å; F519-V521 HydrophobicContact CE2-CG2 3.81Å; F519-V521 HydrophobicContact CZ-CG2 4.17Å; F519-V521 PolarHBondContact O-N 2.82Å; V521-T523 VanDerWaalsContact C-N 3.34Å; V521-T523 PolarHBondContact O-N 3.41Å; V521-F524 PolarHBondContact O-N 3.27Å; V521-F524 VanDerWaalsContact O-N 3.08Å; V521-V525 HydrophobicContact CG1-CG2 3.87Å; V521-V525 WeakPolarHBondContact O-CB 3.45Å; V521-V525 VanDerWaalsContact O-CG2 3.29Å; V521-V525 WeakPolarHBondContact O-CG2 3.35Å; V521-V525 PolarHBondContact O-N 3.47Å
522S96.2Very high93.7Very high84 Ų8475.4 Ų75.459%0.58737%0.373SS*.Hα-helixtrans-60.1-42179.755.40000112.5S520 F524 V525 S526S520-S522 VanDerWaalsContact C-N 3.34Å; S520-S522 PolarHBondContact OG-OG 3.22Å; S522-F524 VanDerWaalsContact C-N 3.3Å; S522-F524 PolarHBondContact O-N 3.19Å; S522-V525 PolarHBondContact O-N 2.82Å; S522-S526 WeakPolarHBondContact O-CB 3.13Å; S522-S526 PolarHBondContact O-N 2.95Å; S522-S526 PolarHBondContact O-OG 3.25Å
523T96Very high92.2Very high60 Ų6083 Ų8337%0.36842%0.418SS..Hα-helixtrans-64.5-33.7176-57.70000112.6A325 S520 V521 S526 R527A325-T523 HydrophobicContact CB-CG2 4.23Å; S520-T523 WeakPolarHBondContact CB-OG1 2.92Å; S520-T523 PolarHBondContact O-N 2.82Å; S520-T523 VanDerWaalsContact OG-CB 3.28Å; S520-T523 WeakPolarHBondContact OG-CB 2.99Å; S520-T523 PolarHBondContact OG-N 3.4Å; S520-T523 PolarHBondContact OG-OG1 3.2Å; V521-T523 VanDerWaalsContact C-N 3.34Å; V521-T523 PolarHBondContact O-N 3.41Å; T523-S526 PolarHBondContact O-OG 2.65Å; T523-R527 WeakPolarHBondContact O-CG 3.47Å
524F96.5Very high91.9Very high0 Ų079.7 Ų79.70%041%0.407CS..Hα-helixtrans-74-47.5174.6176.5-96.8000111.3P324 L425 A428 Q432 L443 F519 S520 V521 S522 S526 R527 Y528P324-F524 HydrophobicContact CB-CD2 3.51Å; P324-F524 HydrophobicContact CB-CE2 3.8Å; P324-F524 HydrophobicContact CB-CG 4.07Å; L425-F524 HydrophobicContact CD1-CD1 3.87Å; L425-F524 HydrophobicContact CD1-CE1 4.36Å; A428-F524 HydrophobicContact CB-CD1 4.04Å; A428-F524 HydrophobicContact CB-CE1 3.71Å; Q432-F524 HydrophobicContact CB-CZ 4.29Å; L443-F524 HydrophobicContact CD1-CD1 3.92Å; L443-F524 HydrophobicContact CD1-CD2 4.2Å; L443-F524 HydrophobicContact CD1-CE1 3.24Å; L443-F524 HydrophobicContact CD1-CE2 3.56Å; L443-F524 HydrophobicContact CD1-CG 4.36Å; L443-F524 HydrophobicContact CD1-CZ 3.04Å; F519-F524 HydrophobicContact CE2-CB 4.45Å; S520-F524 PolarHBondContact O-N 3.33Å; V521-F524 PolarHBondContact O-N 3.27Å; V521-F524 VanDerWaalsContact O-N 3.08Å; S522-F524 VanDerWaalsContact C-N 3.3Å; S522-F524 PolarHBondContact O-N 3.19Å; F524-S526 VanDerWaalsContact C-N 3.29Å; F524-S526 PolarHBondContact O-N 2.91Å; F524-R527 WeakPolarHBondContact O-CB 3.32Å; F524-R527 PolarHBondContact O-N 3.3Å; F524-R527 VanDerWaalsContact O-N 3.15Å; F524-Y528 HydrophobicContact CD2-CE2 4.21Å; F524-Y528 HydrophobicContact CE1-CD2 4.3Å; F524-Y528 HydrophobicContact CE1-CE2 4.13Å; F524-Y528 HydrophobicContact CE2-CD2 4.44Å; F524-Y528 AromaticContact CE2-CE2 3.54Å; F524-Y528 HydrophobicContact CE2-CE2 3.54Å; F524-Y528 HydrophobicContact CZ-CD2 4.06Å; F524-Y528 AromaticContact CZ-CE2 3.46Å; F524-Y528 HydrophobicContact CZ-CE2 3.46Å; F524-Y528 VanDerWaalsContact CZ-CE2 3.46Å
525V96.8Very high91.7Very high23 Ų2383.2 Ų83.214%0.13942%0.421CS..Hα-helixtrans-58.6-41.4-179170.90000111D424 A428 V521 S522 R527 Y528D424-V525 HydrophobicContact CB-CG1 4.35Å; A428-V525 HydrophobicContact CB-CB 4.24Å; A428-V525 HydrophobicContact CB-CG1 4.42Å; A428-V525 HydrophobicContact CB-CG2 3.86Å; V521-V525 HydrophobicContact CG1-CG2 3.87Å; V521-V525 WeakPolarHBondContact O-CB 3.45Å; V521-V525 VanDerWaalsContact O-CG2 3.29Å; V521-V525 WeakPolarHBondContact O-CG2 3.35Å; V521-V525 PolarHBondContact O-N 3.47Å; S522-V525 PolarHBondContact O-N 2.82Å; V525-R527 PolarHBondContact O-N 2.75Å; V525-Y528 PolarHBondContact O-N 3.38Å
526S95.9Very high91.3Very high95 Ų9587.7 Ų87.766%0.66444%0.444SS*.THydrogen-bonded Turntrans-66-8.5-179.1740000114.9S522 T523 F524S522-S526 WeakPolarHBondContact O-CB 3.13Å; S522-S526 PolarHBondContact O-N 2.95Å; S522-S526 PolarHBondContact O-OG 3.25Å; T523-S526 PolarHBondContact O-OG 2.65Å; F524-S526 VanDerWaalsContact C-N 3.29Å; F524-S526 PolarHBondContact O-N 2.91Å
527R94.6Very high91Very high120 Ų12087.4 Ų87.445%0.45344%0.441SS..THydrogen-bonded Turntrans-82.6-15.4178-67.8175.1-179.1-178.7-2.4113.7P324 A325 T523 F524 V525P324-R527 PolarHBondContact O-NH1 3.29Å; A325-R527 VanDerWaalsContact O-CZ 3.31Å; A325-R527 PolarHBondContact O-NH1 3.29Å; A325-R527 VanDerWaalsContact O-NH1 3.14Å; A325-R527 PolarHBondContact O-NH2 2.81Å; T523-R527 WeakPolarHBondContact O-CG 3.47Å; F524-R527 WeakPolarHBondContact O-CB 3.32Å; F524-R527 PolarHBondContact O-N 3.3Å; F524-R527 VanDerWaalsContact O-N 3.15Å; V525-R527 PolarHBondContact O-N 2.75Å
528Y94.2Very high90.7Very high33 Ų3380.8 Ų80.813%0.12942%0.423CS..SBendtrans-121.2129.7-173.5-60.6-76000109.5A428 Q432 L435 K436 F524 V525A428-Y528 HydrophobicContact CB-CD2 4.43Å; Q432-Y528 HydrophobicContact CB-CD1 4.19Å; Q432-Y528 HydrophobicContact CB-CD2 4.42Å; Q432-Y528 HydrophobicContact CB-CE1 3.65Å; Q432-Y528 HydrophobicContact CB-CE2 3.91Å; Q432-Y528 HydrophobicContact CG-CE1 3.94Å; Q432-Y528 HydrophobicContact CG-CE2 4.32Å; Q432-Y528 VanDerWaalsContact CG-OH 3.31Å; Q432-Y528 WeakPolarHBondContact CG-OH 3.36Å; Q432-Y528 PolarHBondContact NE2-OH 3.07Å; L435-Y528 HydrophobicContact CD1-CD1 4.39Å; K436-Y528 HydrophobicContact CG-CE1 4.32Å; F524-Y528 HydrophobicContact CD2-CE2 4.21Å; F524-Y528 HydrophobicContact CE1-CD2 4.3Å; F524-Y528 HydrophobicContact CE1-CE2 4.13Å; F524-Y528 HydrophobicContact CE2-CD2 4.44Å; F524-Y528 AromaticContact CE2-CE2 3.54Å; F524-Y528 HydrophobicContact CE2-CE2 3.54Å; F524-Y528 HydrophobicContact CZ-CD2 4.06Å; F524-Y528 AromaticContact CZ-CE2 3.46Å; F524-Y528 HydrophobicContact CZ-CE2 3.46Å; F524-Y528 VanDerWaalsContact CZ-CE2 3.46Å; V525-Y528 PolarHBondContact O-N 3.38Å
529P90.4Very high90.5Very high71 Ų7177.6 Ų77.646%0.46141%0.414SS..  trans-60.6153.7-177.827-35.1000110.6R431 L435 K531R431-P529 WeakPolarHBondContact CD-O 3.35Å; R431-P529 VanDerWaalsContact CZ-O 3.29Å; R431-P529 PolarHBondContact NE-O 3.04Å; L435-P529 HydrophobicContact CD1-CG 3.88Å; P529-K531 VanDerWaalsContact C-N 3.29Å; P529-K531 PolarHBondContact O-N 2.8Å
530E84.4Confident90.2Very high171 Ų17182.3 Ų82.380%0.79944%0.44SS*.SBendtrans-67.9-32.1-178-77.7-171.7171.800113.3R431R431-E530 VanDerWaalsContact NH1-CA 3.27Å; R431-E530 PolarHBondContact NH1-O 3.28Å
531K81.1Confident89.7Confident167 Ų16784.8 Ų84.873%0.72645%0.447SS*.SBendtrans-107.4143.7179-62.9-176.5-179.2-179.70110.6P529P529-K531 VanDerWaalsContact C-N 3.29Å; P529-K531 PolarHBondContact O-N 2.8Å
532L78Confident89.1Confident51 Ų5191.8 Ų91.827%0.26748%0.484SS..  trans-89.3117.4165.4-67.1167.9000105.9R431 V434 L435R431-L532 HydrophobicContact CB-CD2 4.19Å; R431-L532 HydrophobicContact CG-CD1 4.32Å; R431-L532 HydrophobicContact CG-CD2 3.9Å; R431-L532 HydrophobicContact CG-CG 4.05Å; V434-L532 HydrophobicContact CB-CD1 4.25Å; V434-L532 HydrophobicContact CB-CD2 3.98Å; V434-L532 HydrophobicContact CG1-CD1 4.08Å; V434-L532 HydrophobicContact CG1-CD2 3.76Å; V434-L532 HydrophobicContact CG1-CG 4.48Å; V434-L532 HydrophobicContact CG2-CD1 4.15Å; L435-L532 HydrophobicContact CD1-CD2 4.15Å; L435-L532 HydrophobicContact CD2-CD2 3.9Å; L435-L532 HydrophobicContact CG-CD2 3.77Å
533D64.9Low88.4Confident226 Ų22692.5 Ų92.5100%1.20947%0.474SS*.  trans-72.90178-68.8-26000112.4

Retrieved 533 of 533 residues in 398.9 ms (Link to these results)

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