A0A077Z5Q6_TRITR Loading...

PHD domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z5Q6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 257 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
1M65.9Low78.8Confident192 Ų192128.7 Ų128.795%0.94661%0.611SS**  0-48.10-77.2-73.4-99.600112.1R3 R4 K5M1-R3 PolarHBondContact O-N 3.49Å; M1-R4 PolarHBondContact O-N 2.83Å; M1-K5 PolarHBondContact O-N 3.25Å
2E85.8Confident78.7Confident113 Ų113122.8 Ų122.853%0.52860%0.599SS.*Hα-helixtrans-59.6-45.1-175.4-162.553.7-144.900114.5R4 K5 Q6E2-R4 PolarHBondContact O-N 3.47Å; E2-K5 WeakPolarHBondContact O-CB 3.4Å; E2-K5 PolarHBondContact O-N 3.01Å; E2-Q6 WeakPolarHBondContact O-CG 3.27Å; E2-Q6 PolarHBondContact O-N 2.84Å
3R81.4Confident79.1Confident199 Ų199118.8 Ų118.875%0.75159%0.592SS**Hα-helixtrans-57.7-33.5177.8-162.7173.6-173.9-151.41.1113.7M1 L7M1-R3 PolarHBondContact O-N 3.49Å; R3-L7 WeakPolarHBondContact O-CG 3.29Å; R3-L7 PolarHBondContact O-N 3.12Å; R3-L7 VanDerWaalsContact O-N 3.1Å
4R74.8Confident79.2Confident183 Ų183120.9 Ų120.969%0.69159%0.591SS**Hα-helixtrans-70.3-40.7177-174.7177.4178174.4-0.1111.3M1 E2 L7 I8M1-R4 PolarHBondContact O-N 2.83Å; E2-R4 PolarHBondContact O-N 3.47Å; R4-L7 PolarHBondContact O-N 2.7Å; R4-I8 HydrophobicContact CG-CD1 4.14Å; R4-I8 WeakPolarHBondContact O-CG1 3.44Å; R4-I8 PolarHBondContact O-N 2.89Å; R4-I8 VanDerWaalsContact O-N 3.08Å
5K82.8Confident78.6Confident130 Ų130118.1 Ų118.157%0.56558%0.58SS**Hα-helixtrans-62.2-43.8175-67.8-177.9178.1178.20111.1M1 E2 L7 I8 Q9M1-K5 PolarHBondContact O-N 3.25Å; E2-K5 WeakPolarHBondContact O-CB 3.4Å; E2-K5 PolarHBondContact O-N 3.01Å; K5-L7 PolarHBondContact O-N 2.73Å; K5-I8 PolarHBondContact O-N 2.82Å; K5-Q9 WeakPolarHBondContact O-CB 3.48Å; K5-Q9 PolarHBondContact O-N 3.34Å
6Q86.1Confident78.3Confident110 Ų110115.8 Ų115.851%0.51458%0.579SS.*Hα-helixtrans-59.9-43.6176.3-68.7173.2-7.300112.4E2 Q9 A10E2-Q6 WeakPolarHBondContact O-CG 3.27Å; E2-Q6 PolarHBondContact O-N 2.84Å; Q6-Q9 PolarHBondContact O-N 2.87Å; Q6-A10 WeakPolarHBondContact O-CB 3.07Å; Q6-A10 PolarHBondContact O-N 3.08Å
7L75.1Confident78.5Confident109 Ų109115.4 Ų115.457%0.57158%0.575SS**Hα-helixtrans-65.9-40.1177.4-71.9171.6000112.9R3 R4 K5 A10 T11R3-L7 WeakPolarHBondContact O-CG 3.29Å; R3-L7 PolarHBondContact O-N 3.12Å; R3-L7 VanDerWaalsContact O-N 3.1Å; R4-L7 PolarHBondContact O-N 2.7Å; K5-L7 PolarHBondContact O-N 2.73Å; L7-A10 PolarHBondContact O-N 3.49Å; L7-T11 WeakPolarHBondContact O-CB 3.31Å; L7-T11 PolarHBondContact O-N 3.42Å; L7-T11 PolarHBondContact O-OG1 2.89Å
8I72.7Confident78.1Confident107 Ų107112.1 Ų112.155%0.54956%0.559SS.*Hα-helixtrans-62.9-44.8175.5-68.4166.7000110.1R4 K5 T11 A12R4-I8 HydrophobicContact CG-CD1 4.14Å; R4-I8 WeakPolarHBondContact O-CG1 3.44Å; R4-I8 PolarHBondContact O-N 2.89Å; R4-I8 VanDerWaalsContact O-N 3.08Å; K5-I8 PolarHBondContact O-N 2.82Å; I8-T11 PolarHBondContact O-N 3.38Å; I8-A12 WeakPolarHBondContact O-CB 3.48Å; I8-A12 PolarHBondContact O-N 3.14Å
9Q83.9Confident77.5Confident135 Ų135110.6 Ų110.663%0.63155%0.553SS**Hα-helixtrans-66.4-41.2178.7-167.7171.77.500112.2K5 Q6 T11 A12 S13K5-Q9 WeakPolarHBondContact O-CB 3.48Å; K5-Q9 PolarHBondContact O-N 3.34Å; Q6-Q9 PolarHBondContact O-N 2.87Å; Q9-T11 VanDerWaalsContact C-N 3.35Å; Q9-T11 PolarHBondContact O-N 2.84Å; Q9-A12 PolarHBondContact O-N 2.62Å; Q9-S13 PolarHBondContact O-N 3.21Å; Q9-S13 PolarHBondContact O-OG 3.47Å
10A84.2Confident77.3Confident59 Ų59113.1 Ų113.149%0.48856%0.556SS.*Hα-helixtrans-61.2-42.7174.700000112Q6 L7 S13 Y14Q6-A10 WeakPolarHBondContact O-CB 3.07Å; Q6-A10 PolarHBondContact O-N 3.08Å; L7-A10 PolarHBondContact O-N 3.49Å; A10-S13 PolarHBondContact O-N 2.93Å; A10-Y14 PolarHBondContact O-N 3.37Å
11T73.9Confident77Confident79 Ų79109.8 Ų109.849%0.48554%0.544SS..Hα-helixtrans-63.7-42.6176.3-53.70000111.3L7 I8 Q9 Y14 N15L7-T11 WeakPolarHBondContact O-CB 3.31Å; L7-T11 PolarHBondContact O-N 3.42Å; L7-T11 PolarHBondContact O-OG1 2.89Å; I8-T11 PolarHBondContact O-N 3.38Å; Q9-T11 VanDerWaalsContact C-N 3.35Å; Q9-T11 PolarHBondContact O-N 2.84Å; T11-Y14 PolarHBondContact O-N 3.36Å; T11-N15 WeakPolarHBondContact O-CB 3.38Å; T11-N15 VanDerWaalsContact O-CG 3.25Å; T11-N15 PolarHBondContact O-N 3Å; T11-N15 PolarHBondContact O-ND2 3.26Å
12A77.7Confident76.9Confident57 Ų57107 Ų10747%0.47152%0.523SS..Hα-helixtrans-62.7-43.5176.600000112.2I8 Q9 N15 S16I8-A12 WeakPolarHBondContact O-CB 3.48Å; I8-A12 PolarHBondContact O-N 3.14Å; Q9-A12 PolarHBondContact O-N 2.62Å; A12-N15 PolarHBondContact O-N 3Å; A12-S16 WeakPolarHBondContact O-CB 3.37Å; A12-S16 PolarHBondContact O-N 2.99Å
13S84.1Confident75.8Confident72 Ų72107.2 Ų107.250%0.50353%0.527SS..Hα-helixtrans-62.8-46176-64.70000112.2Q9 A10 N15 S16 E17Q9-S13 PolarHBondContact O-N 3.21Å; Q9-S13 PolarHBondContact O-OG 3.47Å; A10-S13 PolarHBondContact O-N 2.93Å; S13-N15 PolarHBondContact O-N 3.25Å; S13-S16 WeakPolarHBondContact O-CB 3.29Å; S13-S16 PolarHBondContact O-N 3.32Å; S13-E17 PolarHBondContact O-N 3.11Å
14Y81.1Confident74.9Confident148 Ų14899.9 Ų99.958%0.5851%0.506SS*.Hα-helixtrans-60.8-44.9176.5177.7-96.1000112.1A10 T11 S16 E17 L18A10-Y14 PolarHBondContact O-N 3.37Å; T11-Y14 PolarHBondContact O-N 3.36Å; Y14-S16 VanDerWaalsContact C-N 3.31Å; Y14-S16 PolarHBondContact O-N 2.89Å; Y14-E17 PolarHBondContact O-N 3.25Å; Y14-L18 HydrophobicContact CE1-CD2 4.31Å; Y14-L18 WeakPolarHBondContact O-CB 3.35Å; Y14-L18 PolarHBondContact O-N 2.99Å
15N70.1Confident74.2Confident79 Ų7997.7 Ų97.742%0.42250%0.504SS..Hα-helixtrans-63.3-38.1177.5-73.8-18.3000112.2T11 A12 S13 N19T11-N15 WeakPolarHBondContact O-CB 3.38Å; T11-N15 VanDerWaalsContact O-CG 3.25Å; T11-N15 PolarHBondContact O-N 3Å; T11-N15 PolarHBondContact O-ND2 3.26Å; A12-N15 PolarHBondContact O-N 3Å; S13-N15 PolarHBondContact O-N 3.25Å; N15-N19 WeakPolarHBondContact O-CB 3.45Å; N15-N19 PolarHBondContact O-N 3.18Å; N15-N19 PolarHBondContact O-ND2 3.3Å
16S74.1Confident73.1Confident81 Ų8199.2 Ų99.257%0.56651%0.506SS*.Hα-helixtrans-62.8-46.9174.8-173.70000111.5A12 S13 Y14 N19 R20A12-S16 WeakPolarHBondContact O-CB 3.37Å; A12-S16 PolarHBondContact O-N 2.99Å; S13-S16 WeakPolarHBondContact O-CB 3.29Å; S13-S16 PolarHBondContact O-N 3.32Å; Y14-S16 VanDerWaalsContact C-N 3.31Å; Y14-S16 PolarHBondContact O-N 2.89Å; S16-N19 PolarHBondContact O-N 3.5Å; S16-R20 WeakPolarHBondContact O-CB 3.34Å; S16-R20 PolarHBondContact O-N 3.45Å
17E80.4Confident71.9Confident109 Ų109100.3 Ų100.351%0.50951%0.509SS..Hα-helixtrans-65.7-41.6178.1-178.6153.5-130.500112.7S13 Y14 N19 R20 S21S13-E17 PolarHBondContact O-N 3.11Å; Y14-E17 PolarHBondContact O-N 3.25Å; E17-N19 VanDerWaalsContact C-N 3.33Å; E17-N19 PolarHBondContact O-N 3.44Å; E17-R20 CarbonylContact O-C 3.6Å; E17-R20 WeakPolarHBondContact O-CB 3.35Å; E17-R20 PolarHBondContact O-N 3.45Å; E17-R20 IonicContact OE1-NH2 2.86Å; E17-R20 PolarHBondContact OE1-NH2 3.28Å; E17-S21 PolarHBondContact O-N 3.04Å
18L72.6Confident71.3Confident55 Ų5598.7 Ų98.729%0.28850%0.504SS..Hα-helixtrans-60.9-42.1175.1-173.569.3000111.5Y14 S21 R22Y14-L18 HydrophobicContact CE1-CD2 4.31Å; Y14-L18 WeakPolarHBondContact O-CB 3.35Å; Y14-L18 PolarHBondContact O-N 2.99Å; L18-S21 PolarHBondContact O-N 3.02Å; L18-R22 WeakPolarHBondContact O-CB 3.39Å; L18-R22 VanDerWaalsContact O-CG 3.26Å; L18-R22 WeakPolarHBondContact O-CG 3.38Å; L18-R22 PolarHBondContact O-N 2.73Å
19N65.4Low70.9Confident85 Ų8599 Ų9946%0.45550%0.502SS..Hα-helixtrans-66.9-39.5175.4-78.2-23.3000111.9N15 S16 E17 R22 L23N15-N19 WeakPolarHBondContact O-CB 3.45Å; N15-N19 PolarHBondContact O-N 3.18Å; N15-N19 PolarHBondContact O-ND2 3.3Å; S16-N19 PolarHBondContact O-N 3.5Å; E17-N19 VanDerWaalsContact C-N 3.33Å; E17-N19 PolarHBondContact O-N 3.44Å; N19-R22 PolarHBondContact O-N 2.97Å; N19-L23 WeakPolarHBondContact O-CB 3.39Å; N19-L23 VanDerWaalsContact O-CG 3.29Å; N19-L23 WeakPolarHBondContact O-CG 3.46Å; N19-L23 PolarHBondContact O-N 2.93Å
20R74.3Confident70.3Confident160 Ų16098.4 Ų98.460%0.60450%0.497SS*.Hα-helixtrans-61.6-42.9173.1-174.5179.766.8153.1-2.2111.5S16 E17 L23 S24S16-R20 WeakPolarHBondContact O-CB 3.34Å; S16-R20 PolarHBondContact O-N 3.45Å; E17-R20 CarbonylContact O-C 3.6Å; E17-R20 WeakPolarHBondContact O-CB 3.35Å; E17-R20 PolarHBondContact O-N 3.45Å; E17-R20 IonicContact OE1-NH2 2.86Å; E17-R20 PolarHBondContact OE1-NH2 3.28Å; R20-L23 PolarHBondContact O-N 3.47Å; R20-S24 WeakPolarHBondContact O-CB 3.46Å; R20-S24 PolarHBondContact O-N 2.88Å
21S71.1Confident69.8Low44 Ų4497.1 Ų97.131%0.30848%0.482SS..Hα-helixtrans-62.3-49.1175.3-1660000111E17 L18 L23 S24 E25E17-S21 PolarHBondContact O-N 3.04Å; L18-S21 PolarHBondContact O-N 3.02Å; S21-L23 VanDerWaalsContact C-N 3.3Å; S21-L23 PolarHBondContact O-N 2.74Å; S21-S24 WeakPolarHBondContact CA-OG 3.27Å; S21-S24 CarbonylContact O-C 3.54Å; S21-S24 VanDerWaalsContact O-CA 3.32Å; S21-S24 WeakPolarHBondContact O-CA 3.48Å; S21-S24 WeakPolarHBondContact O-CB 3.5Å; S21-S24 PolarHBondContact O-N 2.83Å; S21-S24 PolarHBondContact O-OG 2.87Å; S21-E25 WeakPolarHBondContact O-CG 3.37Å; S21-E25 PolarHBondContact O-N 3.1Å; S21-E25 PolarHBondContact OG-OE1 3.17Å; S21-E25 VanDerWaalsContact OG-OE1 3.09Å
22R63.6Low70Confident132 Ų13298.9 Ų98.950%0.49849%0.487SS..Hα-helixtrans-59.6-37.7177.1-73.9169.8172.6173.4-1.8113.1L18 N19 S24 R26L18-R22 WeakPolarHBondContact O-CB 3.39Å; L18-R22 VanDerWaalsContact O-CG 3.26Å; L18-R22 WeakPolarHBondContact O-CG 3.38Å; L18-R22 PolarHBondContact O-N 2.73Å; N19-R22 PolarHBondContact O-N 2.97Å; R22-S24 VanDerWaalsContact C-N 3.31Å; R22-R26 WeakPolarHBondContact O-CG 3.43Å; R22-R26 PolarHBondContact O-N 3.11Å
23L62.4Low69.6Low119 Ų119103.3 Ų103.362%0.62350%0.503SS*.Hα-helixtrans-68.4-33.3172.6-74.7166000111.4N19 R20 S21N19-L23 WeakPolarHBondContact O-CB 3.39Å; N19-L23 VanDerWaalsContact O-CG 3.29Å; N19-L23 WeakPolarHBondContact O-CG 3.46Å; N19-L23 PolarHBondContact O-N 2.93Å; R20-L23 PolarHBondContact O-N 3.47Å; S21-L23 VanDerWaalsContact C-N 3.3Å; S21-L23 PolarHBondContact O-N 2.74Å
24S62.9Low69.4Low44 Ų44103.5 Ų103.531%0.30850%0.501SS..Hα-helixtrans-77.8-30.5176.481.10000114.4R20 S21 R22 R26 K27R20-S24 WeakPolarHBondContact O-CB 3.46Å; R20-S24 PolarHBondContact O-N 2.88Å; S21-S24 WeakPolarHBondContact CA-OG 3.27Å; S21-S24 CarbonylContact O-C 3.54Å; S21-S24 VanDerWaalsContact O-CA 3.32Å; S21-S24 WeakPolarHBondContact O-CA 3.48Å; S21-S24 WeakPolarHBondContact O-CB 3.5Å; S21-S24 PolarHBondContact O-N 2.83Å; S21-S24 PolarHBondContact O-OG 2.87Å; R22-S24 VanDerWaalsContact C-N 3.31Å; S24-R26 PolarHBondContact O-N 3Å; S24-K27 WeakPolarHBondContact O-CB 3.36Å; S24-K27 VanDerWaalsContact O-CD 3.3Å; S24-K27 WeakPolarHBondContact O-CD 3.21Å; S24-K27 WeakPolarHBondContact O-CG 3.04Å; S24-K27 PolarHBondContact O-N 2.91Å
25E60.3Low69.1Low138 Ų138103 Ų10365%0.64551%0.506SS*.Hα-helixtrans-71.4-22.5172.8-73.6165.4-15100111.5S21 K27S21-E25 WeakPolarHBondContact O-CG 3.37Å; S21-E25 PolarHBondContact O-N 3.1Å; S21-E25 PolarHBondContact OG-OE1 3.17Å; S21-E25 VanDerWaalsContact OG-OE1 3.09Å; E25-K27 PolarHBondContact O-N 2.79Å
26R58.6Low68.8Low161 Ų161102.4 Ų102.461%0.60851%0.505SS*.THydrogen-bonded Turntrans-78.820.9164.3-67.8179.6177.6-175.81.5112.3R22 S24 P40R22-R26 WeakPolarHBondContact O-CG 3.43Å; R22-R26 PolarHBondContact O-N 3.11Å; S24-R26 PolarHBondContact O-N 3Å; R26-P40 WeakPolarHBondContact O-CG 2.87Å
27K60.8Low68.9Low133 Ų133104 Ų10458%0.57851%0.506SS*.SBendtrans-88.3166.8171.9-69.7169.6179.3175.40110.5S24 E25 F29S24-K27 WeakPolarHBondContact O-CB 3.36Å; S24-K27 VanDerWaalsContact O-CD 3.3Å; S24-K27 WeakPolarHBondContact O-CD 3.21Å; S24-K27 WeakPolarHBondContact O-CG 3.04Å; S24-K27 PolarHBondContact O-N 2.91Å; E25-K27 PolarHBondContact O-N 2.79Å; K27-F29 PolarHBondContact O-N 3.46Å
28T63.7Low68.2Low76 Ų76102.7 Ų102.747%0.46650%0.5SS..  trans-42.1120.3178.458.30000111.7Q38 Q39T28-Q38 CarbonylContact C-O 3.4Å; T28-Q38 WeakPolarHBondContact CA-O 3.45Å; T28-Q39 HydrophobicContact CG2-CB 3.84Å; T28-Q39 HydrophobicContact CG2-CG 3.44Å; T28-Q39 VanDerWaalsContact CG2-CG 3.44Å
29F65Low67.9Low113 Ų113106.9 Ų106.950%0.49652%0.518SS..EExtended strand (participates in β ladder)trans-116.9145.6176.367.9-90.9000110.4K27 D31 I37 Q38K27-F29 PolarHBondContact O-N 3.46Å; F29-D31 HydrophobicContact CE2-CB 4.3Å; F29-I37 CarbonylContact O-C 3.53Å; F29-I37 WeakPolarHBondContact O-CA 3.46Å; F29-Q38 HydrophobicContact CD1-CB 4.07Å; F29-Q38 HydrophobicContact CD2-CB 4.26Å; F29-Q38 HydrophobicContact CE1-CB 3.65Å; F29-Q38 HydrophobicContact CE1-CG 4.45Å; F29-Q38 HydrophobicContact CE2-CB 3.85Å; F29-Q38 HydrophobicContact CE2-CG 3.89Å; F29-Q38 HydrophobicContact CG-CB 4.37Å; F29-Q38 HydrophobicContact CZ-CB 3.53Å; F29-Q38 HydrophobicContact CZ-CG 3.83Å; F29-Q38 PolarHBondContact N-O 3.13Å; F29-Q38 PolarHBondContact O-N 3.06Å
30F70.8Confident67.7Low123 Ų123106.6 Ų106.654%0.53952%0.521SS..EExtended strand (participates in β ladder)trans-86.8122.1173.2-179-107.2000109.3M35 I37F30-M35 HydrophobicContact CE1-SD 4.22Å; F30-M35 HydrophobicContact CZ-CB 4.43Å; F30-M35 HydrophobicContact CZ-SD 3.69Å; F30-I37 HydrophobicContact CD2-CG1 3.87Å
31D72.7Confident67Low31 Ų31102.9 Ų102.917%0.16651%0.513CS..EExtended strand (participates in β ladder)trans-89.9103.7175.6178.1-3.3000109.3F29 N33 T34 M35 T36 Q38F29-D31 HydrophobicContact CE2-CB 4.3Å; D31-N33 PolarHBondContact O-N 3.16Å; D31-N33 PolarHBondContact OD1-N 2.61Å; D31-T34 VanDerWaalsContact CB-OG1 3.31Å; D31-T34 WeakPolarHBondContact CB-OG1 3.5Å; D31-T34 PolarHBondContact O-N 3.42Å; D31-T34 PolarHBondContact OD1-N 3.19Å; D31-T34 WeakPolarHBondContact OD2-CG2 3.41Å; D31-T34 PolarHBondContact OD2-OG1 3.01Å; D31-M35 WeakPolarHBondContact O-CA 3.37Å; D31-M35 PolarHBondContact O-N 3.4Å; D31-T36 PolarHBondContact N-O 2.94Å; D31-T36 PolarHBondContact O-N 2.86Å; D31-Q38 HydrophobicContact CB-CG 4.35Å; D31-Q38 PolarHBondContact OD2-NE2 3.37Å; D31-Q38 VanDerWaalsContact OD2-NE2 3.11Å
32I78.8Confident66.3Low117 Ų117105.6 Ų105.660%0.653%0.53SS*.THydrogen-bonded Turntrans-62.6-26.4-177.3-165.2167.5000113.2
33N69.4Low65.7Low150 Ų150108.7 Ų108.780%0.80255%0.547SS*.THydrogen-bonded Turntrans-81-25.9-178-67.3-32.6000112.3D31D31-N33 PolarHBondContact O-N 3.16Å; D31-N33 PolarHBondContact OD1-N 2.61Å
34T78.8Confident65Low75 Ų75112.8 Ų112.846%0.4655%0.554SS.*THydrogen-bonded Turntrans-108.5-6.517961.50000112.9D31 T36D31-T34 VanDerWaalsContact CB-OG1 3.31Å; D31-T34 WeakPolarHBondContact CB-OG1 3.5Å; D31-T34 PolarHBondContact O-N 3.42Å; D31-T34 PolarHBondContact OD1-N 3.19Å; D31-T34 WeakPolarHBondContact OD2-CG2 3.41Å; D31-T34 PolarHBondContact OD2-OG1 3.01Å; T34-T36 WeakPolarHBondContact O-CG2 3.32Å; T34-T36 PolarHBondContact O-N 3.18Å; T34-T36 PolarHBondContact OG1-OG1 2.86Å
35M75.1Confident64.1Low137 Ų137118.9 Ų118.968%0.67558%0.577SS**THydrogen-bonded Turntrans52.335.8-171.4-62.4-70.5-178.900112.2F30 D31F30-M35 HydrophobicContact CE1-SD 4.22Å; F30-M35 HydrophobicContact CZ-CB 4.43Å; F30-M35 HydrophobicContact CZ-SD 3.69Å; D31-M35 WeakPolarHBondContact O-CA 3.37Å; D31-M35 PolarHBondContact O-N 3.4Å
36T65.1Low63.2Low67 Ų67115.9 Ų115.941%0.41158%0.576SS.*EExtended strand (participates in β ladder)trans-121.6145.7-179.464.80000112.6D31 T34D31-T36 PolarHBondContact N-O 2.94Å; D31-T36 PolarHBondContact O-N 2.86Å; T34-T36 WeakPolarHBondContact O-CG2 3.32Å; T34-T36 PolarHBondContact O-N 3.18Å; T34-T36 PolarHBondContact OG1-OG1 2.86Å
37I75.1Confident62.4Low116 Ų116117.2 Ų117.260%0.59559%0.587SS**EExtended strand (participates in β ladder)trans-87.1113.2171.5-60.8171.4000108.2F29 F30 Q39F29-I37 CarbonylContact O-C 3.53Å; F29-I37 WeakPolarHBondContact O-CA 3.46Å; F30-I37 HydrophobicContact CD2-CG1 3.87Å; I37-Q39 HydrophobicContact CG2-CG 4.3Å
38Q65.7Low61.3Low81 Ų81116.5 Ų116.538%0.37960%0.596SS.*EExtended strand (participates in β ladder)trans-88.9120.6174.9-62-158.726.300110.4T28 F29 D31T28-Q38 CarbonylContact C-O 3.4Å; T28-Q38 WeakPolarHBondContact CA-O 3.45Å; F29-Q38 HydrophobicContact CD1-CB 4.07Å; F29-Q38 HydrophobicContact CD2-CB 4.26Å; F29-Q38 HydrophobicContact CE1-CB 3.65Å; F29-Q38 HydrophobicContact CE1-CG 4.45Å; F29-Q38 HydrophobicContact CE2-CB 3.85Å; F29-Q38 HydrophobicContact CE2-CG 3.89Å; F29-Q38 HydrophobicContact CG-CB 4.37Å; F29-Q38 HydrophobicContact CZ-CB 3.53Å; F29-Q38 HydrophobicContact CZ-CG 3.83Å; F29-Q38 PolarHBondContact N-O 3.13Å; F29-Q38 PolarHBondContact O-N 3.06Å; D31-Q38 HydrophobicContact CB-CG 4.35Å; D31-Q38 PolarHBondContact OD2-NE2 3.37Å; D31-Q38 VanDerWaalsContact OD2-NE2 3.11Å
39Q66Low60.3Low143 Ų143116.3 Ų116.367%0.66860%0.595SS**  trans-108.2142.6173.3-47.8-167.2-50.300109.9T28 I37 N41T28-Q39 HydrophobicContact CG2-CB 3.84Å; T28-Q39 HydrophobicContact CG2-CG 3.44Å; T28-Q39 VanDerWaalsContact CG2-CG 3.44Å; I37-Q39 HydrophobicContact CG2-CG 4.3Å; Q39-N41 PolarHBondContact O-N 2.91Å
40P60.9Low59Low78 Ų78114.5 Ų114.551%0.50660%0.596SS.*  trans-62.5127.3171.6-8.119.1000109.6R26 P42R26-P40 WeakPolarHBondContact O-CG 2.87Å; P40-P42 VanDerWaalsContact O-CD 3.28Å; P40-P42 WeakPolarHBondContact O-CD 3.32Å
41N60.1Low57.3Low83 Ų83117.1 Ų117.144%0.44460%0.604SS.*  trans-62.7116.1-179.9-178.4-15.3000110.6Q39 K43 R44Q39-N41 PolarHBondContact O-N 2.91Å; N41-K43 PolarHBondContact O-N 3.06Å; N41-K43 VanDerWaalsContact O-N 3.13Å; N41-K43 WeakPolarHBondContact OD1-CB 3.31Å; N41-K43 PolarHBondContact OD1-N 3.13Å; N41-R44 HydrophobicContact CB-CB 4.31Å; N41-R44 CarbonylContact O-C 3.51Å; N41-R44 WeakPolarHBondContact O-CA 3.44Å; N41-R44 PolarHBondContact O-N 3.32Å
42P55.8Low55.9Low101 Ų101122.6 Ų122.666%0.65662%0.622SS**G310 helixtrans-64-21.2-178.123.5-31.8000113.1P40 R44P40-P42 VanDerWaalsContact O-CD 3.28Å; P40-P42 WeakPolarHBondContact O-CD 3.32Å; P42-R44 VanDerWaalsContact C-N 3.29Å
43K51.8Low54Low196 Ų196118.6 Ų118.685%0.85260%0.603SS**G310 helixtrans-81.3-8.5174.7-59.6-177.1178.6178.90113.1N41N41-K43 PolarHBondContact O-N 3.06Å; N41-K43 VanDerWaalsContact O-N 3.13Å; N41-K43 WeakPolarHBondContact OD1-CB 3.31Å; N41-K43 PolarHBondContact OD1-N 3.13Å
44R48.3Very low52.6Low206 Ų206116.8 Ų116.878%0.77760%0.6SS**G310 helixtrans-113.554.7168.6-65.8-173.3177.5-154.11.1109.4N41 P42 A46N41-R44 HydrophobicContact CB-CB 4.31Å; N41-R44 CarbonylContact O-C 3.51Å; N41-R44 WeakPolarHBondContact O-CA 3.44Å; N41-R44 PolarHBondContact O-N 3.32Å; P42-R44 VanDerWaalsContact C-N 3.29Å; R44-A46 PolarHBondContact O-N 3.35Å
45Q43Very low50.8Low171 Ų171118.1 Ų118.180%0.79960%0.604SS**  trans-63.586154.7-72.4-177.821.200107.1K47Q45-K47 PolarHBondContact O-N 3.11Å
46A41.2Very low48.9Very low76 Ų76118.8 Ų118.863%0.62861%0.609SS**  trans-56116.6169.800000106.4R44R44-A46 PolarHBondContact O-N 3.35Å
47K42.2Very low47.6Very low189 Ų189122.9 Ų122.982%0.82263%0.628SS**  trans-39.4136.3163.6-69.5180178.1-177.90107.4Q45Q45-K47 PolarHBondContact O-N 3.11Å
48P38.6Very low45.6Very low118 Ų118122.3 Ų122.377%0.76664%0.641SS**  trans-49.5123.8-17721.3-31.5000107.2C50P48-C50 PolarHBondContact O-N 2.95Å
49P42Very low44.3Very low71 Ų71124.7 Ų124.746%0.46166%0.66SS.*  trans-58123.9174.123.2-29.2000105.5Y51P49-Y51 PolarHBondContact O-N 3.04Å; P49-Y51 VanDerWaalsContact O-N 3.14Å
50C36.8Very low43.2Very low76 Ų76121.3 Ų121.351%0.51465%0.653SS.*SBendtrans-34.6123163.329.80000108P48 R52P48-C50 PolarHBondContact O-N 2.95Å; C50-R52 PolarHBondContact O-N 3.44Å; C50-R52 VanDerWaalsContact O-N 3.15Å
51Y35.9Very low42.3Very low178 Ų178127 Ų12770%0.69867%0.669SS**  trans-2.398.7177.1-172.2-99.3000114.1P49 P53P49-Y51 PolarHBondContact O-N 3.04Å; P49-Y51 VanDerWaalsContact O-N 3.14Å; Y51-P53 HydrophobicContact CD1-CG 4.21Å; Y51-P53 HydrophobicContact CE1-CG 3.99Å; Y51-P53 WeakPolarHBondContact O-CD 3.2Å
52R44.1Very low41.5Very low146 Ų146130.7 Ų130.755%0.55168%0.684SS**  trans-89114.1164.9-103.4-170.2-170.6-161.62.6107.8C50C50-R52 PolarHBondContact O-N 3.44Å; C50-R52 VanDerWaalsContact O-N 3.15Å
53P38.8Very low40.7Very low32 Ų32128.9 Ų128.921%0.20868%0.684CS.*  trans-59.8153.8162.5-13.728000109.7Y51 L55 Y112Y51-P53 HydrophobicContact CD1-CG 4.21Å; Y51-P53 HydrophobicContact CE1-CG 3.99Å; Y51-P53 WeakPolarHBondContact O-CD 3.2Å; P53-L55 PolarHBondContact O-N 3Å; P53-Y112 WeakPolarHBondContact CD-OH 3.38Å
54P39.5Very low40.3Very low113 Ų113127 Ų12773%0.73468%0.676SS**  trans-59.2132.8-177.1-18.830.8000111.8L56P54-L56 PolarHBondContact O-N 2.88Å
55L40.9Very low39.6Very low103 Ų103123.8 Ų123.854%0.53967%0.673SS.*  trans-70.5112174.8-82.8165.4000110.8P53 F109P53-L55 PolarHBondContact O-N 3Å; L55-F109 HydrophobicContact CD1-CE1 4.25Å; L55-F109 HydrophobicContact CD1-CZ 4.22Å; L55-F109 HydrophobicContact CD2-CD1 3.55Å; L55-F109 HydrophobicContact CD2-CE1 3.1Å; L55-F109 HydrophobicContact CD2-CZ 3.77Å; L55-F109 HydrophobicContact CG-CE1 4.18Å; L55-F109 HydrophobicContact CG-CZ 4.43Å
56L34.9Very low39.2Very low151 Ų151127.3 Ų127.379%0.79168%0.679SS**  trans-87.6123.9153.5-91.4162.6000109P54P54-L56 PolarHBondContact O-N 2.88Å
57L37.4Very low39Very low152 Ų152129.5 Ų129.580%0.79668%0.675SS**  trans69.7110164.7-72.5140.6000118.1V59L57-V59 PolarHBondContact O-N 3.19Å
58A33.1Very low38.9Very low105 Ų105123.8 Ų123.887%0.86865%0.653SS**PPolyproline II helixtrans-56.4119.4168.600000111.2
59V39.9Very low39.1Very low130 Ų130127.1 Ų127.179%0.78866%0.656SS**PPolyproline II helixtrans-91131.1159.8-164.30000106.5L57L57-V59 PolarHBondContact O-N 3.19Å
60S42Very low39.1Very low73 Ų73134.6 Ų134.651%0.5168%0.675SS.*PPolyproline II helixtrans-54.8152.3-172.865.60000113.2E62 G63S60-E62 PolarHBondContact O-N 2.84Å; S60-G63 PolarHBondContact O-N 3.43Å; S60-G63 VanDerWaalsContact O-N 3.14Å
61K42.4Very low39.2Very low196 Ų196138 Ų13885%0.85268%0.681SS**G310 helixtrans-57.4-19.6-179.2-83.3177.9175.4174.30113.8F64K61-F64 VanDerWaalsContact O-CB 3.32Å; K61-F64 WeakPolarHBondContact O-CB 3.36Å
62E43.3Very low39.4Very low161 Ų161140.7 Ų140.775%0.75269%0.69SS**G310 helixtrans-77.7-23.5177.4-65.2106.5-174.300114.4S60 F64S60-E62 PolarHBondContact O-N 2.84Å; E62-F64 PolarHBondContact O-N 3.27Å; E62-F64 VanDerWaalsContact O-N 3.12Å
63G38.8Very low38.9Very low63 Ų63138.1 Ų138.165%0.64969%0.694SS**G310 helixtrans-72-2.4176.100000114.3S60S60-G63 PolarHBondContact O-N 3.43Å; S60-G63 VanDerWaalsContact O-N 3.14Å
64F42.5Very low38.9Very low156 Ų156144.1 Ų144.168%0.68472%0.719SS**G310 helixtrans-88.7-12.2-166.9-152-99.6000113.9K61 E62 I108K61-F64 VanDerWaalsContact O-CB 3.32Å; K61-F64 WeakPolarHBondContact O-CB 3.36Å; E62-F64 PolarHBondContact O-N 3.27Å; E62-F64 VanDerWaalsContact O-N 3.12Å; F64-I108 HydrophobicContact CE2-CG2 4.4Å
65L35.2Very low39Very low139 Ų139144.6 Ų144.673%0.72871%0.71SS**SBendtrans-117.7116.4-172.5-63.1173.2000110.9
66R34.3Very low39.2Very low246 Ų246144.8 Ų144.893%0.92872%0.717SS**  trans9567173.5-53.9176176.7176.5-0.8116.4D68R66-D68 PolarHBondContact O-N 3.29Å; R66-D68 VanDerWaalsContact O-N 3.13Å
67F37.2Very low39.6Very low122 Ų122143.9 Ų143.954%0.53571%0.713SS.*  trans-78.290.2157.3-146.5-77.8000109.4F75F67-F75 HydrophobicContact CD2-CE2 4.01Å; F67-F75 HydrophobicContact CD2-CZ 4.05Å; F67-F75 AromaticContact CE2-CD2 3.99Å; F67-F75 HydrophobicContact CE2-CD2 3.99Å; F67-F75 AromaticContact CE2-CE2 3.17Å; F67-F75 HydrophobicContact CE2-CE2 3.17Å; F67-F75 AromaticContact CE2-CZ 3.53Å; F67-F75 HydrophobicContact CE2-CZ 3.53Å; F67-F75 HydrophobicContact CZ-CD2 4.22Å; F67-F75 AromaticContact CZ-CE2 3.72Å; F67-F75 HydrophobicContact CZ-CE2 3.72Å; F67-F75 HydrophobicContact CZ-CZ 4.49Å
68D40.3Very low40.2Very low69 Ų69142 Ų14237%0.36970%0.695SS.*  trans-76.9119.7173.3-173.4-12.6000109.6R66 R70 K71R66-D68 PolarHBondContact O-N 3.29Å; R66-D68 VanDerWaalsContact O-N 3.13Å; D68-R70 PolarHBondContact O-N 2.81Å; D68-R70 WeakPolarHBondContact OD1-CB 3.49Å; D68-R70 PolarHBondContact OD1-N 3.32Å; D68-K71 HydrophobicContact CB-CB 4.32Å; D68-K71 HydrophobicContact CB-CD 4.36Å; D68-K71 HydrophobicContact CB-CG 4.1Å; D68-K71 PolarHBondContact O-N 3.16Å
69K41.5Very low41Very low188 Ų188140.5 Ų140.582%0.81768%0.679SS**THydrogen-bonded Turntrans-57.6-17.8178.6-66.7-174.4179-172.80113.3
70R41.8Very low41.3Very low228 Ų228134.5 Ų134.586%0.8664%0.642SS**THydrogen-bonded Turntrans-89.6-17.1178.6-57.7-177-140.6-164.54.3113.4D68 R72D68-R70 PolarHBondContact O-N 2.81Å; D68-R70 WeakPolarHBondContact OD1-CB 3.49Å; D68-R70 PolarHBondContact OD1-N 3.32Å; R70-R72 PolarHBondContact O-N 2.76Å
71K38.9Very low41.7Very low147 Ų147135.7 Ų135.764%0.63964%0.64SS**  trans-93.974176.6-63.5-170.1-178.7-171.90109.4D68 S73D68-K71 HydrophobicContact CB-CB 4.32Å; D68-K71 HydrophobicContact CB-CD 4.36Å; D68-K71 HydrophobicContact CB-CG 4.1Å; D68-K71 PolarHBondContact O-N 3.16Å; K71-S73 PolarHBondContact O-N 3.1Å; K71-S73 VanDerWaalsContact O-N 3.17Å
72R40.6Very low42.1Very low235 Ų235131 Ų13189%0.88762%0.62SS**  trans-65.9-3174.1-87.7-176.2177.8-172.1-0113.7R70R70-R72 PolarHBondContact O-N 2.76Å
73S34.1Very low42.3Very low92 Ų92125.3 Ų125.364%0.64360%0.595SS**  trans-85.1121.7-171.443.80000112.3K71K71-S73 PolarHBondContact O-N 3.1Å; K71-S73 VanDerWaalsContact O-N 3.17Å
74H38.9Very low42.9Very low157 Ų157126.2 Ų126.273%0.72759%0.591SS**  trans66.383148-119.214.5000117.9
75F40.3Very low43.1Very low123 Ų123126.3 Ų126.354%0.53959%0.593SS.*  trans-101.9115.7149.6-88.1-90.5000108F67 N77 R78F67-F75 HydrophobicContact CD2-CE2 4.01Å; F67-F75 HydrophobicContact CD2-CZ 4.05Å; F67-F75 AromaticContact CE2-CD2 3.99Å; F67-F75 HydrophobicContact CE2-CD2 3.99Å; F67-F75 AromaticContact CE2-CE2 3.17Å; F67-F75 HydrophobicContact CE2-CE2 3.17Å; F67-F75 AromaticContact CE2-CZ 3.53Å; F67-F75 HydrophobicContact CE2-CZ 3.53Å; F67-F75 HydrophobicContact CZ-CD2 4.22Å; F67-F75 AromaticContact CZ-CE2 3.72Å; F67-F75 HydrophobicContact CZ-CE2 3.72Å; F67-F75 HydrophobicContact CZ-CZ 4.49Å; F75-N77 VanDerWaalsContact C-N 3.35Å; F75-N77 PolarHBondContact O-N 3.46Å; F75-R78 PolarHBondContact O-NE 3.19Å
76P45.2Very low43.4Very low107 Ų107125.3 Ų125.370%0.69559%0.593SS**  trans-83.18.2-168.829.6-33.2000116.1
77N44.4Very low43.5Very low133 Ų133115.9 Ų115.971%0.71157%0.565SS**  trans-126.281.6179.7-75.7-25.2000111.4F75F75-N77 VanDerWaalsContact C-N 3.35Å; F75-N77 PolarHBondContact O-N 3.46Å
78R49.6Very low43.8Very low111 Ų111120.2 Ų120.242%0.41959%0.587SS.*  trans-114.296.4177.3-60.6-179.3-170.9-1344.5108.8F75 P91 L113F75-R78 PolarHBondContact O-NE 3.19Å; R78-P91 VanDerWaalsContact O-O 3.11Å; R78-L113 HydrophobicContact CG-CD1 4.07Å
79S50.2Low43.8Very low74 Ų74119.7 Ų119.752%0.51759%0.592SS.*  trans-111.2134.3162.452.20000108.8
80C46.3Very low43.7Very low4 Ų4115.9 Ų115.93%0.02758%0.581CS.*  trans-81.8129.1174.7-177.10000109.5F82 L83 S84C80-F82 PolarHBondContact O-N 2.95Å; C80-L83 HydrophobicContact CB-CB 4.13Å; C80-L83 HydrophobicContact CB-CD1 3.89Å; C80-L83 HydrophobicContact CB-CG 4.03Å; C80-L83 PolarHBondContact O-N 3.46Å; C80-S84 PolarHBondContact O-N 3.04Å
81Q50.9Low43.8Very low98 Ų98107.6 Ų107.646%0.45856%0.556SS.*THydrogen-bonded Turntrans-60.3-24.8-179.7-173.4176.1-000113.8S84Q81-S84 PolarHBondContact O-OG 3.47Å
82F49.1Very low44.1Very low97 Ų97108.3 Ų108.343%0.42556%0.56SS.*THydrogen-bonded Turntrans-85.6-32.1178.8-80.3-94.1000112.8C80 S84 E85 T86 R114 C118C80-F82 PolarHBondContact O-N 2.95Å; F82-S84 VanDerWaalsContact C-N 3.29Å; F82-S84 PolarHBondContact O-N 3.37Å; F82-E85 PolarHBondContact O-N 3.48Å; F82-T86 PolarHBondContact O-OG1 2.85Å; F82-T86 VanDerWaalsContact O-OG1 3.11Å; F82-R114 VanDerWaalsContact CZ-NH2 3.31Å; F82-C118 HydrophobicContact CB-CB 4.13Å
83L49.1Very low44.2Very low43 Ų43106.2 Ų106.223%0.22555%0.553CS.*Hα-helixtrans-75.9-18.7178.9-66.7173.7000112.4C80 E85 S87C80-L83 HydrophobicContact CB-CB 4.13Å; C80-L83 HydrophobicContact CB-CD1 3.89Å; C80-L83 HydrophobicContact CB-CG 4.03Å; C80-L83 PolarHBondContact O-N 3.46Å; L83-E85 PolarHBondContact O-N 2.9Å; L83-S87 WeakPolarHBondContact CD2-OG 3.45Å
84S50.2Low44.6Very low81 Ų81104 Ų10457%0.56654%0.537SS*.Hα-helixtrans-68.3-13.7174.948.30000114.3C80 Q81 F82C80-S84 PolarHBondContact O-N 3.04Å; Q81-S84 PolarHBondContact O-OG 3.47Å; F82-S84 VanDerWaalsContact C-N 3.29Å; F82-S84 PolarHBondContact O-N 3.37Å
85E46.7Very low44.7Very low159 Ų159101.7 Ų101.774%0.74354%0.536SS*.Hα-helixtrans-114-13.7-173.6-68.2178.6-179.900114.3F82 L83F82-E85 PolarHBondContact O-N 3.48Å; L83-E85 PolarHBondContact O-N 2.9Å
86T42.5Very low44.8Very low118 Ų118102.6 Ų102.672%0.72454%0.54SS*.Hα-helixtrans-142.10.9-163.551.70000117.8F82F82-T86 PolarHBondContact O-OG1 2.85Å; F82-T86 VanDerWaalsContact O-OG1 3.11Å
87S36.9Very low44.9Very low48 Ų48107 Ų10734%0.33655%0.551SS.*  trans-148.6134.3-179.667.90000114.2L83 A89L83-S87 WeakPolarHBondContact CD2-OG 3.45Å; S87-A89 PolarHBondContact O-N 3.2Å
88Q43.3Very low45.2Very low213 Ų213109.5 Ų109.5100%0.99555%0.551SS**SBendtrans-64.911168.2-69.2171.9-7.600113.8
89A39.8Very low45.4Very low58 Ų58104.7 Ų104.748%0.47953%0.534SS..SBendtrans-84.9134.9175.400000110.2S87 P91S87-A89 PolarHBondContact O-N 3.2Å; A89-P91 VanDerWaalsContact O-CD 3.23Å; A89-P91 WeakPolarHBondContact O-CD 3.38Å
90D39.1Very low45.9Very low108 Ų108103.2 Ų103.258%0.57852%0.521SS*.  trans-49.3112.5-178-172.6-12.7000111.3K92D90-K92 PolarHBondContact O-N 2.58Å; D90-K92 WeakPolarHBondContact OD1-CB 3.48Å; D90-K92 PolarHBondContact OD1-N 2.8Å
91P44.5Very low46.7Very low54 Ų54103.3 Ų103.335%0.35152%0.522SS..THydrogen-bonded Turntrans-63.4-9.7-177-21.531.8000114.3R78 A89R78-P91 VanDerWaalsContact O-O 3.11Å; A89-P91 VanDerWaalsContact O-CD 3.23Å; A89-P91 WeakPolarHBondContact O-CD 3.38Å
92K45.2Very low47.5Very low162 Ų162103.1 Ų103.170%0.70452%0.517SS*.THydrogen-bonded Turntrans-97.8-10.5-166-63.7-178.6178.9-1790115.3D90D90-K92 PolarHBondContact O-N 2.58Å; D90-K92 WeakPolarHBondContact OD1-CB 3.48Å; D90-K92 PolarHBondContact OD1-N 2.8Å
93Y42.1Very low48.5Very low191 Ų19198.5 Ų98.575%0.74950%0.497SS*.  trans-141.6103.2-174.4-120.3-95.5000112.7P95Y93-P95 WeakPolarHBondContact O-CD 3.33Å
94C42.1Very low49.6Very low46 Ų4699.8 Ų99.831%0.31151%0.506SS..  trans-82.2117.8157.3-1750000107.4F96 C99 H115C94-F96 PolarHBondContact O-N 2.86Å; C94-C99 VanDerWaalsContact SG-CB 3.56Å; C94-H115 WeakPolarHBondContact CB-NE2 3.12Å
95P41.7Very low50.3Low108 Ų108101.4 Ų101.470%0.70150%0.5SS*.SBendtrans-66.2-8.1-17824.2-31.4000113.3Y93Y93-P95 WeakPolarHBondContact O-CD 3.33Å
96F42.2Very low51.2Low142 Ų14295 Ų9562%0.62347%0.47SS*.  trans-103.1108.3175.9-63.2-82000109.8C94 R98 C99C94-F96 PolarHBondContact O-N 2.86Å; F96-R98 PolarHBondContact O-N 3.49Å; F96-C99 HydrophobicContact CB-CB 4.48Å; F96-C99 WeakPolarHBondContact CB-SG 3.27Å; F96-C99 PolarHBondContact O-N 3.07Å
97E46.7Very low51.8Low199 Ų19990.2 Ų90.293%0.9344%0.443SS*.THydrogen-bonded Turntrans-50.7-15.9171.9-66.7-166.214400113.9
98R52Low52.7Low186 Ų18693.3 Ų93.370%0.70246%0.455SS*.THydrogen-bonded Turntrans-92.64.4-171.5-69.2-175-176.4-179.51.8114.1F96 Y126 R130F96-R98 PolarHBondContact O-N 3.49Å; R98-Y126 PolarHBondContact O-OH 3.39Å; R98-R130 PolarHBondContact O-NH2 2.83Å
99C53.1Low52.9Low10 Ų1085.1 Ų85.17%0.06842%0.416CS..  trans-107.329.9-165.3-70.80000116.1C94 F96 H115 P116C94-C99 VanDerWaalsContact SG-CB 3.56Å; F96-C99 HydrophobicContact CB-CB 4.48Å; F96-C99 WeakPolarHBondContact CB-SG 3.27Å; F96-C99 PolarHBondContact O-N 3.07Å; C99-H115 VanDerWaalsContact O-CA 3.31Å; C99-H115 WeakPolarHBondContact O-CA 3.31Å; C99-H115 PolarHBondContact O-CD2 3.35Å; C99-H115 VanDerWaalsContact O-CD2 3.22Å; C99-P116 WeakPolarHBondContact O-CD 3.33Å
100V60.3Low53.5Low42 Ų4285.8 Ų85.826%0.25542%0.415SS..  trans-120.3113.6-178.5-173.40000112.3L113V100-L113 HydrophobicContact CG1-CB 3.54Å; V100-L113 HydrophobicContact CG1-CD1 4.12Å; V100-L113 HydrophobicContact CG1-CD2 3.34Å; V100-L113 HydrophobicContact CG1-CG 3.79Å
101T63.2Low54Low7 Ų784.7 Ų84.74%0.04341%0.408CS..EExtended strand (participates in β ladder)trans-85.5131.1163.553.60000108.8R114 M119 M121 Y126 V129T101-R114 PolarHBondContact N-O 3.23Å; T101-R114 PolarHBondContact O-N 2.97Å; T101-R114 PolarHBondContact OG1-O 3.3Å; T101-R114 VanDerWaalsContact OG1-O 3.05Å; T101-M119 PolarHBondContact OG1-SD 2.66Å; T101-M121 HydrophobicContact CG2-CE 4.47Å; T101-M121 HydrophobicContact CG2-SD 3.88Å; T101-Y126 HydrophobicContact CG2-CD2 3.86Å; T101-Y126 HydrophobicContact CG2-CE2 3.54Å; T101-V129 HydrophobicContact CG2-CG1 4.34Å
102R68.8Low54.5Low94 Ų9483.5 Ų83.536%0.35540%0.397SS..EExtended strand (participates in β ladder)trans-122.5122.7-179.8-176.5-179.1-174.6-172.6-1109.4V104 A107 L113 W134R102-V104 PolarHBondContact O-N 3.32Å; R102-A107 HydrophobicContact CG-CB 4.01Å; R102-A107 VanDerWaalsContact CZ-O 3.29Å; R102-A107 PolarHBondContact NE-O 3.35Å; R102-A107 VanDerWaalsContact NE-O 3.15Å; R102-A107 PolarHBondContact NH2-O 3.15Å; R102-L113 HydrophobicContact CB-CD2 4.09Å; R102-L113 HydrophobicContact CG-CD2 4.09Å; R102-W134 VanDerWaalsContact C-CE3 3.49Å
103C70.2Confident55.3Low0 Ų077.3 Ų77.30%037%0.371CS..  trans-65.5125174.3176.20000109.9R105 A107 W134 C136 C139C103-R105 PolarHBondContact O-N 3.38Å; C103-R105 PolarHBondContact SG-N 3.34Å; C103-R105 VanDerWaalsContact SG-N 3.4Å; C103-A107 VanDerWaalsContact O-CA 3.31Å; C103-A107 WeakPolarHBondContact O-CA 3.42Å; C103-A107 WeakPolarHBondContact O-CB 3.32Å; C103-A107 PolarHBondContact O-N 3.12Å; C103-W134 HydrophobicContact CB-CZ3 4.21Å; C103-C136 HydrophobicContact CB-CB 3.83Å; C103-C136 PolarHBondContact SG-N 2.79Å; C103-C136 VanDerWaalsContact SG-N 3.4Å; C103-C136 PolarHBondContact SG-SG 3.14Å; C103-C139 VanDerWaalsContact SG-CB 3.55Å
104V71.9Confident56.3Low69 Ų6970 Ų7042%0.41834%0.342SS..THydrogen-bonded Turntrans-66.5-17.1179.4-63.30000114.3R102 D133 W134 M135R102-V104 PolarHBondContact O-N 3.32Å; V104-D133 HydrophobicContact CB-CB 4.44Å; V104-D133 HydrophobicContact CG1-CB 3.75Å; V104-D133 HydrophobicContact CG2-CB 4.14Å; V104-W134 PolarHBondContact N-O 2.97Å; V104-M135 HydrophobicContact CG2-CG 3.65Å; V104-M135 HydrophobicContact CG2-SD 4.48Å
105R64.6Low57.6Low116 Ų11669.2 Ų69.244%0.43833%0.334SS..THydrogen-bonded Turntrans-90.1-39.7-179.6-81.9-175.8164.1166-6114.4C103 C139C103-R105 PolarHBondContact O-N 3.38Å; C103-R105 PolarHBondContact SG-N 3.34Å; C103-R105 VanDerWaalsContact SG-N 3.4Å; R105-C139 HydrophobicContact CB-CB 4.06Å; R105-C139 PolarHBondContact NH1-O 2.79Å
106I64.9Low59.2Low23 Ų2364.2 Ų64.212%0.11830%0.301CS..THydrogen-bonded Turntrans-110.514.4-178.9-35.7169.6000111.8I108 F109 Y112 C139I106-I108 PolarHBondContact O-N 3.07Å; I106-F109 HydrophobicContact CG2-CD2 4.02Å; I106-F109 PolarHBondContact O-N 2.68Å; I106-Y112 HydrophobicContact CB-CD1 4.44Å; I106-Y112 HydrophobicContact CB-CD2 3.88Å; I106-Y112 HydrophobicContact CB-CE1 4.44Å; I106-Y112 HydrophobicContact CB-CE2 3.92Å; I106-Y112 HydrophobicContact CB-CG 4.14Å; I106-Y112 HydrophobicContact CD1-CD1 4.31Å; I106-Y112 HydrophobicContact CD1-CE1 3.82Å; I106-Y112 HydrophobicContact CG2-CD2 3.55Å; I106-Y112 HydrophobicContact CG2-CE1 4.29Å; I106-Y112 HydrophobicContact CG2-CE2 3.16Å; I106-Y112 HydrophobicContact CG2-CG 4.27Å; I106-C139 WeakPolarHBondContact CD1-SG 3.43Å; I106-C139 WeakPolarHBondContact CG1-SG 3.27Å
107A56Low60.5Low19 Ų1963.1 Ų63.116%0.15730%0.298CS..THydrogen-bonded Turntrans-45.1-22175.400000115.1R102 C103 F109R102-A107 HydrophobicContact CG-CB 4.01Å; R102-A107 VanDerWaalsContact CZ-O 3.29Å; R102-A107 PolarHBondContact NE-O 3.35Å; R102-A107 VanDerWaalsContact NE-O 3.15Å; R102-A107 PolarHBondContact NH2-O 3.15Å; C103-A107 VanDerWaalsContact O-CA 3.31Å; C103-A107 WeakPolarHBondContact O-CA 3.42Å; C103-A107 WeakPolarHBondContact O-CB 3.32Å; C103-A107 PolarHBondContact O-N 3.12Å; A107-F109 PolarHBondContact O-N 3.35Å
108I54.5Low61.6Low112 Ų11255 Ų5557%0.57426%0.263SS*.THydrogen-bonded Turntrans-67.3-22.5-177.6-50.5176000112F64 I106F64-I108 HydrophobicContact CE2-CG2 4.4Å; I106-I108 PolarHBondContact O-N 3.07Å
109F47.9Very low62.7Low41 Ų4147.7 Ų47.718%0.1824%0.237CC..SBendtrans-107.7134.1179.2-66-67.3000112.3L55 I106 A107 M111 Y112L55-F109 HydrophobicContact CD1-CE1 4.25Å; L55-F109 HydrophobicContact CD1-CZ 4.22Å; L55-F109 HydrophobicContact CD2-CD1 3.55Å; L55-F109 HydrophobicContact CD2-CE1 3.1Å; L55-F109 HydrophobicContact CD2-CZ 3.77Å; L55-F109 HydrophobicContact CG-CE1 4.18Å; L55-F109 HydrophobicContact CG-CZ 4.43Å; I106-F109 HydrophobicContact CG2-CD2 4.02Å; I106-F109 PolarHBondContact O-N 2.68Å; A107-F109 PolarHBondContact O-N 3.35Å; F109-M111 PolarHBondContact O-N 2.98Å; F109-M111 VanDerWaalsContact O-N 3.12Å; F109-Y112 HydrophobicContact CB-CD2 3.82Å; F109-Y112 HydrophobicContact CB-CE2 3.78Å; F109-Y112 HydrophobicContact CD2-CE2 4.39Å; F109-Y112 HydrophobicContact CG-CE2 4.5Å; F109-Y112 PolarHBondContact O-N 3.33Å
110P51.7Low63.9Low72 Ų7255.8 Ų55.847%0.46827%0.274SS..G310 helixtrans-64.2-15.117924.9-32.2000113.3Y112P110-Y112 PolarHBondContact O-N 2.63Å
111M49.9Very low64.8Low85 Ų8554.6 Ų54.642%0.41927%0.266SS..G310 helixtrans-68-13.6-179.5-67.2-178.576.600114.7F109F109-M111 PolarHBondContact O-N 2.98Å; F109-M111 VanDerWaalsContact O-N 3.12Å
112Y55.4Low65.9Low30 Ų3056.7 Ų56.712%0.11828%0.281CS..G310 helixtrans-102.924.4-174.7-60-83.7000113.9P53 I106 F109 P110P53-Y112 WeakPolarHBondContact CD-OH 3.38Å; I106-Y112 HydrophobicContact CB-CD1 4.44Å; I106-Y112 HydrophobicContact CB-CD2 3.88Å; I106-Y112 HydrophobicContact CB-CE1 4.44Å; I106-Y112 HydrophobicContact CB-CE2 3.92Å; I106-Y112 HydrophobicContact CB-CG 4.14Å; I106-Y112 HydrophobicContact CD1-CD1 4.31Å; I106-Y112 HydrophobicContact CD1-CE1 3.82Å; I106-Y112 HydrophobicContact CG2-CD2 3.55Å; I106-Y112 HydrophobicContact CG2-CE1 4.29Å; I106-Y112 HydrophobicContact CG2-CE2 3.16Å; I106-Y112 HydrophobicContact CG2-CG 4.27Å; F109-Y112 HydrophobicContact CB-CD2 3.82Å; F109-Y112 HydrophobicContact CB-CE2 3.78Å; F109-Y112 HydrophobicContact CD2-CE2 4.39Å; F109-Y112 HydrophobicContact CG-CE2 4.5Å; F109-Y112 PolarHBondContact O-N 3.33Å; P110-Y112 PolarHBondContact O-N 2.63Å
113L61.2Low66.7Low32 Ų3258 Ų5817%0.16830%0.295CS..EExtended strand (participates in β ladder)trans-90.3110.7170.1-58.4-178.9000107.8R78 V100 R102R78-L113 HydrophobicContact CG-CD1 4.07Å; V100-L113 HydrophobicContact CG1-CB 3.54Å; V100-L113 HydrophobicContact CG1-CD1 4.12Å; V100-L113 HydrophobicContact CG1-CD2 3.34Å; V100-L113 HydrophobicContact CG1-CG 3.79Å; R102-L113 HydrophobicContact CB-CD2 4.09Å; R102-L113 HydrophobicContact CG-CD2 4.09Å
114R64.7Low67.5Low37 Ų3763.9 Ų63.914%0.1432%0.322CS..EExtended strand (participates in β ladder)trans-112.3141.7174.1-65.4-175.968-168.4-6.5109.2F82 T101 C118 M119F82-R114 VanDerWaalsContact CZ-NH2 3.31Å; T101-R114 PolarHBondContact N-O 3.23Å; T101-R114 PolarHBondContact O-N 2.97Å; T101-R114 PolarHBondContact OG1-O 3.3Å; T101-R114 VanDerWaalsContact OG1-O 3.05Å; R114-C118 PolarHBondContact NH2-O 3.46Å; R114-M119 HydrophobicContact CB-CG 3.41Å; R114-M119 VanDerWaalsContact CB-CG 3.41Å; R114-M119 HydrophobicContact CB-SD 3.48Å; R114-M119 WeakPolarHBondContact CB-SD 3.39Å; R114-M119 HydrophobicContact CG-CG 4.23Å; R114-M119 HydrophobicContact CG-SD 4.15Å; R114-M119 VanDerWaalsContact NH1-CE 3.32Å
115H69.8Low68.3Low30 Ų3061.6 Ų61.614%0.13931%0.307CS..  trans-76.6142.1170.7-55.9124.1000109.6C94 C99 Q117 C118 M119C94-H115 WeakPolarHBondContact CB-NE2 3.12Å; C99-H115 VanDerWaalsContact O-CA 3.31Å; C99-H115 WeakPolarHBondContact O-CA 3.31Å; C99-H115 PolarHBondContact O-CD2 3.35Å; C99-H115 VanDerWaalsContact O-CD2 3.22Å; H115-Q117 PolarHBondContact O-N 3.38Å; H115-C118 HydrophobicContact CB-CB 4.13Å; H115-C118 CarbonylContact O-C 3.45Å; H115-C118 WeakPolarHBondContact O-CA 2.79Å; H115-C118 PolarHBondContact O-N 2.67Å; H115-M119 WeakPolarHBondContact O-CG 3.28Å; H115-M119 PolarHBondContact O-N 3.48Å
116P73.4Confident69.3Low2 Ų257.1 Ų57.11%0.01329%0.29CS..THydrogen-bonded Turntrans-49.6-42.4175-2833.5000112.5C99 M119 E120 M121 Y126C99-P116 WeakPolarHBondContact O-CD 3.33Å; P116-M119 CarbonylContact O-C 3.55Å; P116-M119 WeakPolarHBondContact O-CA 3.48Å; P116-M119 WeakPolarHBondContact O-CB 3.41Å; P116-M119 PolarHBondContact O-N 3.48Å; P116-E120 PolarHBondContact O-N 3.27Å; P116-E120 VanDerWaalsContact O-N 3.09Å; P116-M121 HydrophobicContact CB-CB 4.19Å; P116-M121 PolarHBondContact O-N 2.93Å; P116-Y126 HydrophobicContact CB-CD1 4.18Å; P116-Y126 HydrophobicContact CB-CD2 4.04Å; P116-Y126 HydrophobicContact CB-CE1 4.46Å; P116-Y126 HydrophobicContact CB-CE2 4.45Å; P116-Y126 HydrophobicContact CB-CG 3.95Å; P116-Y126 HydrophobicContact CG-CD1 3.78Å; P116-Y126 HydrophobicContact CG-CD2 3.57Å; P116-Y126 HydrophobicContact CG-CE1 3.59Å; P116-Y126 HydrophobicContact CG-CE2 3.51Å; P116-Y126 HydrophobicContact CG-CG 3.76Å
117Q70.6Confident70.3Confident119 Ų11958.6 Ų58.656%0.55631%0.306SS*.G310 helixtrans-65.6-42.4177.7-62.380.62.200112H115 M119 E120H115-Q117 PolarHBondContact O-N 3.38Å; Q117-M119 PolarHBondContact O-N 3.39Å; Q117-E120 PolarHBondContact O-N 2.83Å; Q117-E120 VanDerWaalsContact O-N 3.09Å
118C69.2Low71.7Confident29 Ų2958.8 Ų58.820%0.19631%0.306CS..G310 helixtrans-71.9-7.2173.7-57.40000113.5F82 R114 H115F82-C118 HydrophobicContact CB-CB 4.13Å; R114-C118 PolarHBondContact NH2-O 3.46Å; H115-C118 HydrophobicContact CB-CB 4.13Å; H115-C118 CarbonylContact O-C 3.45Å; H115-C118 WeakPolarHBondContact O-CA 2.79Å; H115-C118 PolarHBondContact O-N 2.67Å
119M74.5Confident73.3Confident32 Ų3253.7 Ų53.716%0.15828%0.279CS..G310 helixtrans-104.41.8172.4-67-147.958.100112.2T101 R114 H115 P116 Q117 M121 W134T101-M119 PolarHBondContact OG1-SD 2.66Å; R114-M119 HydrophobicContact CB-CG 3.41Å; R114-M119 VanDerWaalsContact CB-CG 3.41Å; R114-M119 HydrophobicContact CB-SD 3.48Å; R114-M119 WeakPolarHBondContact CB-SD 3.39Å; R114-M119 HydrophobicContact CG-CG 4.23Å; R114-M119 HydrophobicContact CG-SD 4.15Å; R114-M119 VanDerWaalsContact NH1-CE 3.32Å; H115-M119 WeakPolarHBondContact O-CG 3.28Å; H115-M119 PolarHBondContact O-N 3.48Å; P116-M119 CarbonylContact O-C 3.55Å; P116-M119 WeakPolarHBondContact O-CA 3.48Å; P116-M119 WeakPolarHBondContact O-CB 3.41Å; P116-M119 PolarHBondContact O-N 3.48Å; Q117-M119 PolarHBondContact O-N 3.39Å; M119-M121 HydrophobicContact CB-CG 3.61Å; M119-M121 HydrophobicContact CB-SD 3.98Å; M119-M121 PolarHBondContact O-N 3.32Å; M119-M121 HydrophobicContact SD-SD 4.29Å; M119-W134 HydrophobicContact CE-CH2 3.96Å; M119-W134 HydrophobicContact CE-CZ2 3.6Å; M119-W134 HydrophobicContact SD-CH2 3.6Å; M119-W134 HydrophobicContact SD-CZ2 3.67Å
120E78.8Confident74.9Confident181 Ų18158.1 Ų58.185%0.84630%0.295SS*.THydrogen-bonded Turntrans53.332.8-173.6-60.3173.2-166.800112.4P116 Q117P116-E120 PolarHBondContact O-N 3.27Å; P116-E120 VanDerWaalsContact O-N 3.09Å; Q117-E120 PolarHBondContact O-N 2.83Å; Q117-E120 VanDerWaalsContact O-N 3.09Å
121M79.6Confident76.3Confident17 Ų1757.9 Ų57.98%0.08429%0.293CS..  trans-80.4128.1176.4-63.1-179.978.800109.6T101 P116 M119 M125 Y126 V129T101-M121 HydrophobicContact CG2-CE 4.47Å; T101-M121 HydrophobicContact CG2-SD 3.88Å; P116-M121 HydrophobicContact CB-CB 4.19Å; P116-M121 PolarHBondContact O-N 2.93Å; M119-M121 HydrophobicContact CB-CG 3.61Å; M119-M121 HydrophobicContact CB-SD 3.98Å; M119-M121 PolarHBondContact O-N 3.32Å; M119-M121 HydrophobicContact SD-SD 4.29Å; M121-M125 HydrophobicContact CB-SD 4Å; M121-M125 HydrophobicContact CE-CG 3.83Å; M121-M125 HydrophobicContact CE-SD 3.67Å; M121-M125 HydrophobicContact CG-SD 3.76Å; M121-Y126 HydrophobicContact CE-CD2 4.46Å; M121-V129 HydrophobicContact CE-CB 3.78Å; M121-V129 HydrophobicContact CE-CG1 3.91Å; M121-V129 HydrophobicContact CE-CG2 3.52Å
122S86.1Confident77.7Confident51 Ų5155.5 Ų55.536%0.35728%0.279SS..  trans-64.3159.416894.70000110.9E124 M125 Y126S122-E124 VanDerWaalsContact CB-OE2 3.27Å; S122-E124 WeakPolarHBondContact CB-OE2 3.27Å; S122-E124 PolarHBondContact O-N 2.79Å; S122-E124 PolarHBondContact OG-N 3.04Å; S122-E124 PolarHBondContact OG-OE2 2.85Å; S122-M125 PolarHBondContact O-N 3.31Å; S122-M125 PolarHBondContact OG-N 3.01Å; S122-Y126 WeakPolarHBondContact O-CB 3.46Å; S122-Y126 PolarHBondContact O-N 3.18Å
123D85.4Confident78.9Confident121 Ų12158.9 Ų58.965%0.64730%0.299SS*.Hα-helixtrans-61.6-36177.3-76.2-32000111.7Y126 A127D123-Y126 PolarHBondContact O-N 3.28Å; D123-A127 WeakPolarHBondContact O-CB 3.16Å; D123-A127 PolarHBondContact O-N 3.28Å
124E87.2Confident80Confident124 Ų12457.8 Ų57.858%0.57929%0.293SS*.Hα-helixtrans-66.9-44.5175.7-55.974.3-161.100111.6S122 Y126 T128S122-E124 VanDerWaalsContact CB-OE2 3.27Å; S122-E124 WeakPolarHBondContact CB-OE2 3.27Å; S122-E124 PolarHBondContact O-N 2.79Å; S122-E124 PolarHBondContact OG-N 3.04Å; S122-E124 PolarHBondContact OG-OE2 2.85Å; E124-Y126 VanDerWaalsContact C-N 3.3Å; E124-Y126 PolarHBondContact O-N 3.1Å; E124-T128 WeakPolarHBondContact O-CB 3.34Å; E124-T128 PolarHBondContact O-N 3.22Å; E124-T128 PolarHBondContact O-OG1 2.96Å
125M88.7Confident80.9Confident20 Ų2057.8 Ų57.810%0.09930%0.295CS..Hα-helixtrans-60.9-45.8175.1-174.8-166.2-73.900109.6M121 S122 T128 V129 D158 R159 D161M121-M125 HydrophobicContact CB-SD 4Å; M121-M125 HydrophobicContact CE-CG 3.83Å; M121-M125 HydrophobicContact CE-SD 3.67Å; M121-M125 HydrophobicContact CG-SD 3.76Å; S122-M125 PolarHBondContact O-N 3.31Å; S122-M125 PolarHBondContact OG-N 3.01Å; M125-T128 PolarHBondContact O-N 3.21Å; M125-V129 HydrophobicContact CG-CG2 4.21Å; M125-V129 WeakPolarHBondContact O-CB 3.27Å; M125-V129 VanDerWaalsContact O-CG2 3.31Å; M125-V129 WeakPolarHBondContact O-CG2 3.43Å; M125-V129 PolarHBondContact O-N 2.9Å; M125-D158 WeakPolarHBondContact CE-O 3.35Å; M125-R159 WeakPolarHBondContact CA-O 3.31Å; M125-D161 HydrophobicContact CG-CB 4.28Å; M125-D161 HydrophobicContact SD-CB 4.02Å
126Y85.9Confident81.4Confident22 Ų2256.9 Ų56.99%0.08629%0.292CS..Hα-helixtrans-65.7-42.6-177.6-176.9-132.3000112.7R98 T101 P116 M121 S122 D123 E124 T128 V129 R130R98-Y126 PolarHBondContact O-OH 3.39Å; T101-Y126 HydrophobicContact CG2-CD2 3.86Å; T101-Y126 HydrophobicContact CG2-CE2 3.54Å; P116-Y126 HydrophobicContact CB-CD1 4.18Å; P116-Y126 HydrophobicContact CB-CD2 4.04Å; P116-Y126 HydrophobicContact CB-CE1 4.46Å; P116-Y126 HydrophobicContact CB-CE2 4.45Å; P116-Y126 HydrophobicContact CB-CG 3.95Å; P116-Y126 HydrophobicContact CG-CD1 3.78Å; P116-Y126 HydrophobicContact CG-CD2 3.57Å; P116-Y126 HydrophobicContact CG-CE1 3.59Å; P116-Y126 HydrophobicContact CG-CE2 3.51Å; P116-Y126 HydrophobicContact CG-CG 3.76Å; M121-Y126 HydrophobicContact CE-CD2 4.46Å; S122-Y126 WeakPolarHBondContact O-CB 3.46Å; S122-Y126 PolarHBondContact O-N 3.18Å; D123-Y126 PolarHBondContact O-N 3.28Å; E124-Y126 VanDerWaalsContact C-N 3.3Å; E124-Y126 PolarHBondContact O-N 3.1Å; Y126-T128 VanDerWaalsContact C-N 3.29Å; Y126-T128 PolarHBondContact O-N 3.42Å; Y126-V129 PolarHBondContact O-N 3.18Å; Y126-R130 VanDerWaalsContact CE1-NE 3.26Å; Y126-R130 HydrophobicContact CE2-CG 4.03Å; Y126-R130 WeakPolarHBondContact O-CG 3.48Å; Y126-R130 PolarHBondContact O-N 3.07Å; Y126-R130 VanDerWaalsContact O-N 3.16Å; Y126-R130 PolarHBondContact OH-NE 3.47Å; Y126-R130 PolarHBondContact OH-NH2 3.04Å
127A85.6Confident81.8Confident54 Ų5461.4 Ų61.445%0.44631%0.314SS..Hα-helixtrans-57.6-4417200000111.3D123D123-A127 WeakPolarHBondContact O-CB 3.16Å; D123-A127 PolarHBondContact O-N 3.28Å
128T86.6Confident82.2Confident24 Ų2460.1 Ų60.115%0.14731%0.308CS..Hα-helixtrans-67.5-42.4178.7-57.70000111.9E124 M125 Y126 R130 T131 R159 C160E124-T128 WeakPolarHBondContact O-CB 3.34Å; E124-T128 PolarHBondContact O-N 3.22Å; E124-T128 PolarHBondContact O-OG1 2.96Å; M125-T128 PolarHBondContact O-N 3.21Å; Y126-T128 VanDerWaalsContact C-N 3.29Å; Y126-T128 PolarHBondContact O-N 3.42Å; T128-R130 VanDerWaalsContact C-N 3.3Å; T128-R130 PolarHBondContact O-N 3.44Å; T128-T131 WeakPolarHBondContact O-CB 3.43Å; T128-T131 WeakPolarHBondContact O-CG2 3.08Å; T128-T131 PolarHBondContact O-N 3.35Å; T128-T131 PolarHBondContact O-OG1 3.06Å; T128-R159 VanDerWaalsContact CB-O 3.27Å; T128-R159 WeakPolarHBondContact CB-O 3.49Å; T128-R159 PolarHBondContact OG1-O 3.05Å; T128-C160 HydrophobicContact CG2-CB 3.52Å
129V86.4Confident82.8Confident4 Ų458.8 Ų58.82%0.02430%0.299CS..Hα-helixtrans-62.6-35.3-178.6158.80000112.5T101 M121 M125 Y126 T131 Y132 W134 D161T101-V129 HydrophobicContact CG2-CG1 4.34Å; M121-V129 HydrophobicContact CE-CB 3.78Å; M121-V129 HydrophobicContact CE-CG1 3.91Å; M121-V129 HydrophobicContact CE-CG2 3.52Å; M125-V129 HydrophobicContact CG-CG2 4.21Å; M125-V129 WeakPolarHBondContact O-CB 3.27Å; M125-V129 VanDerWaalsContact O-CG2 3.31Å; M125-V129 WeakPolarHBondContact O-CG2 3.43Å; M125-V129 PolarHBondContact O-N 2.9Å; Y126-V129 PolarHBondContact O-N 3.18Å; V129-T131 PolarHBondContact O-N 3.07Å; V129-Y132 HydrophobicContact CB-CE1 4.48Å; V129-Y132 HydrophobicContact CG2-CE1 4.17Å; V129-Y132 PolarHBondContact O-N 3.09Å; V129-Y132 VanDerWaalsContact O-O 3.11Å; V129-W134 HydrophobicContact CG1-CB 3.61Å; V129-W134 HydrophobicContact CG1-CD2 4.19Å; V129-W134 HydrophobicContact CG1-CG 3.39Å; V129-D161 HydrophobicContact CG2-CB 3.74Å
130R82.1Confident83.3Confident134 Ų13457.7 Ų57.751%0.50629%0.293SS..THydrogen-bonded Turntrans-63.8-18.6174.3-72.9171.9171.1171.5-2.2114.3R98 Y126 T128 Y132R98-R130 PolarHBondContact O-NH2 2.83Å; Y126-R130 VanDerWaalsContact CE1-NE 3.26Å; Y126-R130 HydrophobicContact CE2-CG 4.03Å; Y126-R130 WeakPolarHBondContact O-CG 3.48Å; Y126-R130 PolarHBondContact O-N 3.07Å; Y126-R130 VanDerWaalsContact O-N 3.16Å; Y126-R130 PolarHBondContact OH-NE 3.47Å; Y126-R130 PolarHBondContact OH-NH2 3.04Å; T128-R130 VanDerWaalsContact C-N 3.3Å; T128-R130 PolarHBondContact O-N 3.44Å; R130-Y132 VanDerWaalsContact C-N 3.29Å; R130-Y132 PolarHBondContact O-N 3.12Å
131T80.6Confident83.6Confident68 Ų6849.5 Ų49.542%0.41726%0.256SS..THydrogen-bonded Turntrans-78.2-12.5-177.570.80000113.5T128 V129T128-T131 WeakPolarHBondContact O-CB 3.43Å; T128-T131 WeakPolarHBondContact O-CG2 3.08Å; T128-T131 PolarHBondContact O-N 3.35Å; T128-T131 PolarHBondContact O-OG1 3.06Å; V129-T131 PolarHBondContact O-N 3.07Å
132Y80.4Confident84.1Confident34 Ų3448.7 Ų48.713%0.13325%0.252CS..SBendtrans-143.1172.9-176.876-86.2000112.7V129 R130 W134 C160 R162V129-Y132 HydrophobicContact CB-CE1 4.48Å; V129-Y132 HydrophobicContact CG2-CE1 4.17Å; V129-Y132 PolarHBondContact O-N 3.09Å; V129-Y132 VanDerWaalsContact O-O 3.11Å; R130-Y132 VanDerWaalsContact C-N 3.29Å; R130-Y132 PolarHBondContact O-N 3.12Å; Y132-W134 VanDerWaalsContact C-N 3.32Å; Y132-W134 HydrophobicContact CE2-CB 4.44Å; Y132-W134 PolarHBondContact O-N 2.79Å; Y132-C160 WeakPolarHBondContact CE1-O 3.39Å; Y132-C160 VanDerWaalsContact CZ-O 3.3Å; Y132-C160 PolarHBondContact OH-O 2.9Å; Y132-R162 VanDerWaalsContact CE1-NH1 3.29Å; Y132-R162 HydrophobicContact CE2-CG 4.32Å
133D80.5Confident84.2Confident101 Ų10147.7 Ų47.754%0.5425%0.245SC..  trans-72.684.2178.7-68.6-35.5000110.7V104V104-D133 HydrophobicContact CB-CB 4.44Å; V104-D133 HydrophobicContact CG1-CB 3.75Å; V104-D133 HydrophobicContact CG2-CB 4.14Å
134W84.8Confident84.1Confident10 Ų1046 Ų464%0.03824%0.235CC..  trans-65.8146.7-178.9179.380.6000113.6R102 C103 V104 M119 V129 Y132 C136 D161R102-W134 VanDerWaalsContact C-CE3 3.49Å; C103-W134 HydrophobicContact CB-CZ3 4.21Å; V104-W134 PolarHBondContact N-O 2.97Å; M119-W134 HydrophobicContact CE-CH2 3.96Å; M119-W134 HydrophobicContact CE-CZ2 3.6Å; M119-W134 HydrophobicContact SD-CH2 3.6Å; M119-W134 HydrophobicContact SD-CZ2 3.67Å; V129-W134 HydrophobicContact CG1-CB 3.61Å; V129-W134 HydrophobicContact CG1-CD2 4.19Å; V129-W134 HydrophobicContact CG1-CG 3.39Å; Y132-W134 VanDerWaalsContact C-N 3.32Å; Y132-W134 HydrophobicContact CE2-CB 4.44Å; Y132-W134 PolarHBondContact O-N 2.79Å; W134-C136 HydrophobicContact CH2-CB 3.91Å; W134-C136 HydrophobicContact CZ2-CB 4.48Å; W134-C136 HydrophobicContact CZ3-CB 4.34Å; W134-D161 PolarHBondContact NE1-OD2 3.47Å
135M82.1Confident84.1Confident37 Ų3742.3 Ų42.318%0.18222%0.222CC..  trans-127.1138179.5-69.3173-77.900109.1V104 C139 K140 P141V104-M135 HydrophobicContact CG2-CG 3.65Å; V104-M135 HydrophobicContact CG2-SD 4.48Å; M135-C139 HydrophobicContact CB-CB 4.14Å; M135-K140 HydrophobicContact CB-CB 4.5Å; M135-K140 WeakPolarHBondContact O-CE 3.31Å; M135-P141 VanDerWaalsContact CE-CD 3.47Å; M135-P141 HydrophobicContact CE-CG 4.06Å; M135-P141 VanDerWaalsContact SD-CD 3.51Å; M135-P141 HydrophobicContact SD-CG 4.27Å
136C81.6Confident84Confident10 Ų1043 Ų437%0.06823%0.229CC..  trans-63.8163.5173.364.20000111.2C103 W134 E138 C139 K140C103-C136 HydrophobicContact CB-CB 3.83Å; C103-C136 PolarHBondContact SG-N 2.79Å; C103-C136 VanDerWaalsContact SG-N 3.4Å; C103-C136 PolarHBondContact SG-SG 3.14Å; W134-C136 HydrophobicContact CH2-CB 3.91Å; W134-C136 HydrophobicContact CZ2-CB 4.48Å; W134-C136 HydrophobicContact CZ3-CB 4.34Å; C136-E138 VanDerWaalsContact C-N 3.27Å; C136-E138 PolarHBondContact O-N 3.19Å; C136-C139 PolarHBondContact O-N 3.4Å; C136-K140 PolarHBondContact O-N 3.4Å; C136-K140 VanDerWaalsContact O-N 3.12Å
137M81.3Confident83.8Confident97 Ų9747.5 Ų47.548%0.47825%0.249SC..G310 helixtrans-46.4-47.7178.459-164.6-71.700113.1C139 K140 F156M137-C139 PolarHBondContact O-N 2.71Å; M137-C139 VanDerWaalsContact O-N 3.14Å; M137-K140 PolarHBondContact O-N 2.66Å; M137-F156 HydrophobicContact CB-CE2 4.23Å; M137-F156 HydrophobicContact CB-CZ 4.31Å
138E79.2Confident83.8Confident92 Ų9248.1 Ų48.143%0.4324%0.244SC..G310 helixtrans-63.7-19178.2-54.5-54.6134.500115.3C136C136-E138 VanDerWaalsContact C-N 3.27Å; C136-E138 PolarHBondContact O-N 3.19Å
139C80.9Confident83.6Confident1 Ų150.4 Ų50.41%0.00726%0.256CS..G310 helixtrans-112.5-5.2-172.1-85.40000113.8C103 R105 I106 M135 C136 M137 P141C103-C139 VanDerWaalsContact SG-CB 3.55Å; R105-C139 HydrophobicContact CB-CB 4.06Å; R105-C139 PolarHBondContact NH1-O 2.79Å; I106-C139 WeakPolarHBondContact CD1-SG 3.43Å; I106-C139 WeakPolarHBondContact CG1-SG 3.27Å; M135-C139 HydrophobicContact CB-CB 4.14Å; C136-C139 PolarHBondContact O-N 3.4Å; M137-C139 PolarHBondContact O-N 2.71Å; M137-C139 VanDerWaalsContact O-N 3.14Å; C139-P141 WeakPolarHBondContact O-CD 3.48Å
140K85.3Confident83.6Confident9 Ų951.8 Ų51.84%0.03927%0.267CS..  trans-82110-167.2-161.5-178.8-65.8178.90109.3M135 C136 M137 L148 F156 D161M135-K140 HydrophobicContact CB-CB 4.5Å; M135-K140 WeakPolarHBondContact O-CE 3.31Å; C136-K140 PolarHBondContact O-N 3.4Å; C136-K140 VanDerWaalsContact O-N 3.12Å; M137-K140 PolarHBondContact O-N 2.66Å; K140-L148 WeakPolarHBondContact O-CD2 3.39Å; K140-F156 HydrophobicContact CD-CD1 3.57Å; K140-F156 HydrophobicContact CD-CE1 3.64Å; K140-F156 HydrophobicContact CD-CG 4.35Å; K140-F156 HydrophobicContact CD-CZ 4.45Å; K140-D161 WeakPolarHBondContact CD-O 3.13Å; K140-D161 WeakPolarHBondContact CE-O 3.34Å; K140-D161 WeakPolarHBondContact CE-OD2 3.39Å; K140-D161 PolarHBondContact NZ-O 3.49Å; K140-D161 IonicContact NZ-OD1 3.55Å; K140-D161 PolarHBondContact NZ-OD1 3.21Å; K140-D161 IonicContact NZ-OD2 3.23Å; K140-D161 PolarHBondContact NZ-OD2 3.12Å
141P86.3Confident83.7Confident9 Ų951.7 Ų51.76%0.05827%0.272CS..  trans-78157.6173.734.7-32.7000109.9M135 C139 S143 K147 L148M135-P141 VanDerWaalsContact CE-CD 3.47Å; M135-P141 HydrophobicContact CE-CG 4.06Å; M135-P141 VanDerWaalsContact SD-CD 3.51Å; M135-P141 HydrophobicContact SD-CG 4.27Å; C139-P141 WeakPolarHBondContact O-CD 3.48Å; P141-S143 PolarHBondContact O-N 3.02Å; P141-K147 WeakPolarHBondContact CA-O 3.48Å; P141-L148 HydrophobicContact CB-CD2 4.12Å; P141-L148 HydrophobicContact CB-CG 4.43Å
142C88.9Confident84Confident0 Ų054.9 Ų54.90%029%0.287CS..BIsolated β-bridgetrans-59.6128.7165.5171.20000110I144 C145 S146 K147 G163 H165 C168C142-I144 PolarHBondContact O-N 2.77Å; C142-I144 VanDerWaalsContact O-N 3.15Å; C142-C145 WeakPolarHBondContact CB-SG 3.45Å; C142-C145 VanDerWaalsContact SG-SG 3.62Å; C142-S146 WeakPolarHBondContact O-CA 3.14Å; C142-S146 PolarHBondContact O-N 2.74Å; C142-K147 PolarHBondContact N-O 3.48Å; C142-G163 CarbonylContact C-O 3.6Å; C142-G163 WeakPolarHBondContact CA-O 3.48Å; C142-H165 VanDerWaalsContact CB-CE1 3.48Å; C142-H165 WeakPolarHBondContact CB-CE1 3.23Å; C142-H165 WeakPolarHBondContact CB-ND1 3.02Å; C142-H165 PolarHBondContact SG-N 2.85Å; C142-H165 VanDerWaalsContact SG-N 3.39Å; C142-H165 PolarHBondContact SG-ND1 2.94Å; C142-C168 VanDerWaalsContact SG-SG 3.65Å
143S87.8Confident84.4Confident30 Ų3058.3 Ų58.321%0.2130%0.302CS..THydrogen-bonded Turntrans-71.7-8-175.3-56.90000113.4P141 G163P141-S143 PolarHBondContact O-N 3.02Å; S143-G163 WeakPolarHBondContact CB-O 3.13Å; S143-G163 PolarHBondContact N-O 3.42Å; S143-G163 PolarHBondContact OG-O 3.23Å
144I85Confident84.8Confident86 Ų8654.7 Ų54.744%0.44128%0.283SS..THydrogen-bonded Turntrans-100.3-58.5178.5-62.8175.2000109.9C142 Y164 C168 V169C142-I144 PolarHBondContact O-N 2.77Å; C142-I144 VanDerWaalsContact O-N 3.15Å; I144-Y164 HydrophobicContact CD1-CD1 3.93Å; I144-Y164 HydrophobicContact CD1-CE1 4.35Å; I144-Y164 HydrophobicContact CG1-CD1 4.04Å; I144-Y164 HydrophobicContact CG1-CE1 4.21Å; I144-C168 HydrophobicContact CB-CB 3.98Å; I144-C168 HydrophobicContact CD1-CB 3.88Å; I144-C168 WeakPolarHBondContact CD1-O 3.31Å; I144-C168 HydrophobicContact CG1-CB 4.44Å; I144-C168 HydrophobicContact CG2-CB 4.17Å; I144-V169 HydrophobicContact CD1-CG1 3.82Å
145C86.3Confident85.1Confident46 Ų4655.1 Ų55.131%0.31129%0.286SS..THydrogen-bonded Turntrans-91.4-9.4-17674.70000114.1C142 K147 H165C142-C145 WeakPolarHBondContact CB-SG 3.45Å; C142-C145 VanDerWaalsContact SG-SG 3.62Å; C145-K147 HydrophobicContact CB-CG 4.36Å; C145-K147 PolarHBondContact O-N 2.93Å; C145-K147 VanDerWaalsContact O-N 3.16Å; C145-H165 PolarHBondContact SG-CE1 3.27Å; C145-H165 PolarHBondContact SG-ND1 3.45Å
146S86.7Confident85.6Confident34 Ų3456.9 Ų56.924%0.23829%0.292CS..  trans6113.5-177.3-52.80000115.5C142C142-S146 WeakPolarHBondContact O-CA 3.14Å; C142-S146 PolarHBondContact O-N 2.74Å
147K80.9Confident86.2Confident118 Ų11856.4 Ų56.451%0.51329%0.289SS..  trans-92155.6178.7-56.1-174.9-174.8177.60112.1P141 C142 C145 D149P141-K147 WeakPolarHBondContact CA-O 3.48Å; C142-K147 PolarHBondContact N-O 3.48Å; C145-K147 HydrophobicContact CB-CG 4.36Å; C145-K147 PolarHBondContact O-N 2.93Å; C145-K147 VanDerWaalsContact O-N 3.16Å; K147-D149 WeakPolarHBondContact CB-OD1 3.45Å; K147-D149 WeakPolarHBondContact CD-OD2 2.96Å; K147-D149 IonicContact NZ-OD2 3.96Å
148L85.3Confident86.6Confident66 Ų6655.3 Ų55.335%0.34629%0.286SS..  trans-106.212.2175.2-68.7166.2000111.6K140 P141K140-L148 WeakPolarHBondContact O-CD2 3.39Å; P141-L148 HydrophobicContact CB-CD2 4.12Å; P141-L148 HydrophobicContact CB-CG 4.43Å
149D83.6Confident87.1Confident73 Ų7354.7 Ų54.739%0.3928%0.279SS..  trans-80.4175.4176.955.1-1000111K147 E151 H165K147-D149 WeakPolarHBondContact CB-OD1 3.45Å; K147-D149 WeakPolarHBondContact CD-OD2 2.96Å; K147-D149 IonicContact NZ-OD2 3.96Å; D149-E151 VanDerWaalsContact C-N 3.3Å; D149-E151 PolarHBondContact O-N 2.99Å; D149-H165 PolarHBondContact O-NE2 3.14Å; D149-H165 IonicContact OD1-CE1 3.22Å; D149-H165 PolarHBondContact OD1-CE1 3.39Å; D149-H165 VanDerWaalsContact OD1-CE1 3.23Å; D149-H165 IonicContact OD1-NE2 3.36Å
150A85.4Confident87.6Confident32 Ų3254.7 Ų54.726%0.26428%0.279SS..  trans47.149.7174.700000113.5D152 K153 M154 F167A150-D152 WeakPolarHBondContact CA-OD1 3.16Å; A150-D152 PolarHBondContact O-N 2.81Å; A150-K153 HydrophobicContact CB-CB 4.39Å; A150-K153 CarbonylContact O-C 3.41Å; A150-K153 PolarHBondContact O-N 3.15Å; A150-M154 PolarHBondContact O-N 3.16Å; A150-F167 HydrophobicContact CB-CE1 4.1Å; A150-F167 HydrophobicContact CB-CZ 4.45Å
151E85.9Confident87.9Confident132 Ų13255 Ų5562%0.61728%0.281SS*.G310 helixtrans-58.3-32.3-179.7-63.7174.3-172.800111.7D149 K153 M154D149-E151 VanDerWaalsContact C-N 3.3Å; D149-E151 PolarHBondContact O-N 2.99Å; E151-K153 PolarHBondContact O-N 2.76Å; E151-M154 WeakPolarHBondContact O-CB 3.25Å; E151-M154 PolarHBondContact O-N 3.32Å
152D87.1Confident88.1Confident135 Ų13555.5 Ų55.572%0.72228%0.282SS*.G310 helixtrans-64.4-22.1174.364.8-53.1000113.7A150A150-D152 WeakPolarHBondContact CA-OD1 3.16Å; A150-D152 PolarHBondContact O-N 2.81Å
153K87.8Confident88.3Confident106 Ų10655.5 Ų55.546%0.46128%0.282SS..G310 helixtrans-110.417.9179.5-54.1-170.2-176.1-167.50112.1A150 E151 H165 T166 F167A150-K153 HydrophobicContact CB-CB 4.39Å; A150-K153 CarbonylContact O-C 3.41Å; A150-K153 PolarHBondContact O-N 3.15Å; E151-K153 PolarHBondContact O-N 2.76Å; K153-H165 CarbonylContact O-C 3.4Å; K153-H165 VanDerWaalsContact O-CA 3.3Å; K153-H165 WeakPolarHBondContact O-CA 3.42Å; K153-T166 PolarHBondContact O-N 3.17Å; K153-F167 HydrophobicContact CB-CE1 4.38Å; K153-F167 HydrophobicContact CD-CD1 4.44Å
154M89.2Confident88.4Confident25 Ų2554.3 Ų54.312%0.12327%0.273CS..EExtended strand (participates in β ladder)trans-97.6124-179.2-161.6174-65.800111.1A150 E151 F156 Y164A150-M154 PolarHBondContact O-N 3.16Å; E151-M154 WeakPolarHBondContact O-CB 3.25Å; E151-M154 PolarHBondContact O-N 3.32Å; M154-F156 HydrophobicContact CG-CD1 4.48Å; M154-F156 HydrophobicContact CG-CE1 3.93Å; M154-F156 HydrophobicContact SD-CE1 3.9Å; M154-Y164 CarbonylContact C-O 3.57Å; M154-Y164 WeakPolarHBondContact CA-O 3.32Å
155L90.9Very high88.7Confident20 Ų2050.2 Ų50.211%0.10525%0.252CS..EExtended strand (participates in β ladder)trans-97.1146.1172-58.8175.4000110.3G163 Y164 T166 L171 P174 W179L155-G163 CarbonylContact O-C 3.5Å; L155-G163 WeakPolarHBondContact O-CA 3.48Å; L155-Y164 PolarHBondContact N-O 3.14Å; L155-Y164 PolarHBondContact O-N 2.82Å; L155-T166 HydrophobicContact CD1-CG2 3.79Å; L155-T166 HydrophobicContact CD2-CG2 4.11Å; L155-T166 HydrophobicContact CG-CG2 3.73Å; L155-L171 HydrophobicContact CD1-CD1 3.76Å; L155-P174 HydrophobicContact CD2-CB 3.77Å; L155-P174 HydrophobicContact CD2-CG 4.08Å; L155-W179 HydrophobicContact CB-CE3 4.29Å; L155-W179 HydrophobicContact CB-CZ3 4.35Å
156F92.4Very high88.8Confident73 Ų7348.4 Ų48.432%0.3224%0.239SC..EExtended strand (participates in β ladder)trans-109.2138.6169.9-54.3-32.6000109.4M137 K140 M154 D158 R162M137-F156 HydrophobicContact CB-CE2 4.23Å; M137-F156 HydrophobicContact CB-CZ 4.31Å; K140-F156 HydrophobicContact CD-CD1 3.57Å; K140-F156 HydrophobicContact CD-CE1 3.64Å; K140-F156 HydrophobicContact CD-CG 4.35Å; K140-F156 HydrophobicContact CD-CZ 4.45Å; M154-F156 HydrophobicContact CG-CD1 4.48Å; M154-F156 HydrophobicContact CG-CE1 3.93Å; M154-F156 HydrophobicContact SD-CE1 3.9Å; F156-D158 PolarHBondContact O-N 2.98Å; F156-R162 WeakPolarHBondContact CA-O 3.21Å
157C93.2Very high88.9Confident0 Ų052.2 Ų52.20%025%0.252CS..  trans-73124.2176172.70000110.4R159 C160 D161 R162 Y164 W179 C181C157-R159 PolarHBondContact O-N 3.09Å; C157-C160 PolarHBondContact O-N 3.24Å; C157-C160 PolarHBondContact SG-N 3.23Å; C157-D161 VanDerWaalsContact O-CA 3.25Å; C157-D161 WeakPolarHBondContact O-CA 3.11Å; C157-D161 PolarHBondContact O-N 2.7Å; C157-R162 PolarHBondContact N-O 3.05Å; C157-Y164 HydrophobicContact CB-CE2 4.42Å; C157-W179 HydrophobicContact CB-CE3 4.34Å; C157-W179 HydrophobicContact CB-CZ3 4Å; C157-C181 HydrophobicContact CB-CB 3.96Å; C157-C181 PolarHBondContact SG-N 2.76Å
158D91.5Very high89.1Confident75 Ų7548.1 Ų48.140%0.40124%0.238SC..THydrogen-bonded Turntrans-67-12.1-177-65.3-47.4000114.1M125 F156 P178 W179M125-D158 WeakPolarHBondContact CE-O 3.35Å; F156-D158 PolarHBondContact O-N 2.98Å; D158-P178 HydrophobicContact CB-CB 4.48Å; D158-P178 WeakPolarHBondContact OD2-CA 3.41Å; D158-W179 PolarHBondContact N-O 2.75Å; D158-W179 PolarHBondContact OD2-N 3Å
159R89.5Confident89.2Confident78 Ų7847.2 Ų47.229%0.29424%0.235SC..THydrogen-bonded Turntrans-101.5-33.2177.1-168-170.8-165-719.8113.9M125 T128 C157 V180 C185 E189M125-R159 WeakPolarHBondContact CA-O 3.31Å; T128-R159 VanDerWaalsContact CB-O 3.27Å; T128-R159 WeakPolarHBondContact CB-O 3.49Å; T128-R159 PolarHBondContact OG1-O 3.05Å; C157-R159 PolarHBondContact O-N 3.09Å; R159-V180 HydrophobicContact CB-CG1 4.01Å; R159-C185 HydrophobicContact CB-CB 4.48Å; R159-E189 IonicContact CZ-OE1 2.67Å; R159-E189 IonicContact NE-OE1 2.66Å; R159-E189 PolarHBondContact NE-OE1 3.2Å; R159-E189 IonicContact NH2-OE1 2.79Å; R159-E189 PolarHBondContact NH2-OE1 3.48Å
160C90.6Very high89.3Confident1 Ų147.1 Ų47.11%0.00725%0.251CS..THydrogen-bonded Turntrans-129.64.5-173.581.40000114.7T128 Y132 C157 R162 C185T128-C160 HydrophobicContact CG2-CB 3.52Å; Y132-C160 WeakPolarHBondContact CE1-O 3.39Å; Y132-C160 VanDerWaalsContact CZ-O 3.3Å; Y132-C160 PolarHBondContact OH-O 2.9Å; C157-C160 PolarHBondContact O-N 3.24Å; C157-C160 PolarHBondContact SG-N 3.23Å; C160-R162 PolarHBondContact O-N 3.34Å; C160-R162 PolarHBondContact SG-NH1 2.87Å; C160-C185 VanDerWaalsContact CB-SG 3.59Å; C160-C185 VanDerWaalsContact SG-SG 3.63Å
161D92.7Very high89.3Confident16 Ų1648.2 Ų48.29%0.08625%0.252CS..  trans52.823.4175.5-161.141.7000115.1M125 V129 W134 K140 C157M125-D161 HydrophobicContact CG-CB 4.28Å; M125-D161 HydrophobicContact SD-CB 4.02Å; V129-D161 HydrophobicContact CG2-CB 3.74Å; W134-D161 PolarHBondContact NE1-OD2 3.47Å; K140-D161 WeakPolarHBondContact CD-O 3.13Å; K140-D161 WeakPolarHBondContact CE-O 3.34Å; K140-D161 WeakPolarHBondContact CE-OD2 3.39Å; K140-D161 PolarHBondContact NZ-O 3.49Å; K140-D161 IonicContact NZ-OD1 3.55Å; K140-D161 PolarHBondContact NZ-OD1 3.21Å; K140-D161 IonicContact NZ-OD2 3.23Å; K140-D161 PolarHBondContact NZ-OD2 3.12Å; C157-D161 VanDerWaalsContact O-CA 3.25Å; C157-D161 WeakPolarHBondContact O-CA 3.11Å; C157-D161 PolarHBondContact O-N 2.7Å
162R90.2Very high89.1Confident20 Ų2048.5 Ų48.58%0.07527%0.268CS..  trans-80.9145.5172.4-78.1179.4-17966.86.7111.1Y132 F156 C157 C160 Y164Y132-R162 VanDerWaalsContact CE1-NH1 3.29Å; Y132-R162 HydrophobicContact CE2-CG 4.32Å; F156-R162 WeakPolarHBondContact CA-O 3.21Å; C157-R162 PolarHBondContact N-O 3.05Å; C160-R162 PolarHBondContact O-N 3.34Å; C160-R162 PolarHBondContact SG-NH1 2.87Å; R162-Y164 HydrophobicContact CB-CE2 3.63Å; R162-Y164 VanDerWaalsContact O-CD2 3.31Å; R162-Y164 WeakPolarHBondContact O-CD2 3.36Å; R162-Y164 WeakPolarHBondContact O-CE2 3.43Å
163G91.8Very high89Confident0 Ų043.1 Ų43.10%025%0.245CC..EExtended strand (participates in β ladder)trans-89.5144-17800000112.4C142 S143 L155C142-G163 CarbonylContact C-O 3.6Å; C142-G163 WeakPolarHBondContact CA-O 3.48Å; S143-G163 WeakPolarHBondContact CB-O 3.13Å; S143-G163 PolarHBondContact N-O 3.42Å; S143-G163 PolarHBondContact OG-O 3.23Å; L155-G163 CarbonylContact O-C 3.5Å; L155-G163 WeakPolarHBondContact O-CA 3.48Å
164Y91.3Very high89Confident4 Ų442.9 Ų42.92%0.01626%0.255CS..EExtended strand (participates in β ladder)trans-147.7133.2179-64-92.6000109.5I144 M154 L155 C157 R162 V169 W179 C181 Y184I144-Y164 HydrophobicContact CD1-CD1 3.93Å; I144-Y164 HydrophobicContact CD1-CE1 4.35Å; I144-Y164 HydrophobicContact CG1-CD1 4.04Å; I144-Y164 HydrophobicContact CG1-CE1 4.21Å; M154-Y164 CarbonylContact C-O 3.57Å; M154-Y164 WeakPolarHBondContact CA-O 3.32Å; L155-Y164 PolarHBondContact N-O 3.14Å; L155-Y164 PolarHBondContact O-N 2.82Å; C157-Y164 HydrophobicContact CB-CE2 4.42Å; R162-Y164 HydrophobicContact CB-CE2 3.63Å; R162-Y164 VanDerWaalsContact O-CD2 3.31Å; R162-Y164 WeakPolarHBondContact O-CD2 3.36Å; R162-Y164 WeakPolarHBondContact O-CE2 3.43Å; Y164-V169 HydrophobicContact CD1-CG1 3.65Å; Y164-V169 HydrophobicContact CG-CG1 3.97Å; Y164-W179 HydrophobicContact CD1-CH2 4.27Å; Y164-W179 AromaticContact CD2-CH2 3.38Å; Y164-W179 HydrophobicContact CD2-CH2 3.38Å; Y164-W179 AromaticContact CD2-CZ3 3.51Å; Y164-W179 HydrophobicContact CD2-CZ3 3.51Å; Y164-W179 AromaticContact CE2-CH2 3.93Å; Y164-W179 HydrophobicContact CE2-CH2 3.93Å; Y164-W179 HydrophobicContact CE2-CZ3 4.09Å; Y164-W179 AromaticContact CG-CH2 3.59Å; Y164-W179 HydrophobicContact CG-CH2 3.59Å; Y164-W179 HydrophobicContact CG-CZ3 4.12Å; Y164-C181 HydrophobicContact CD2-CB 4.28Å; Y164-C181 HydrophobicContact CE1-CB 4.37Å; Y164-C181 HydrophobicContact CE2-CB 3.45Å; Y164-C181 VanDerWaalsContact CE2-CB 3.45Å; Y164-C181 WeakPolarHBondContact OH-CB 3.43Å; Y164-C181 PolarHBondContact OH-SG 2.72Å; Y164-Y184 WeakPolarHBondContact OH-CD2 3.47Å; Y164-Y184 VanDerWaalsContact OH-CE2 3.28Å; Y164-Y184 WeakPolarHBondContact OH-CE2 3.42Å
165H90.7Very high88.9Confident0 Ų044.1 Ų44.10%026%0.264CS..EExtended strand (participates in β ladder)trans-69.8140.9165.4-62.7120.9000110.4C142 C145 D149 K153 F167 C168 V169C142-H165 VanDerWaalsContact CB-CE1 3.48Å; C142-H165 WeakPolarHBondContact CB-CE1 3.23Å; C142-H165 WeakPolarHBondContact CB-ND1 3.02Å; C142-H165 PolarHBondContact SG-N 2.85Å; C142-H165 VanDerWaalsContact SG-N 3.39Å; C142-H165 PolarHBondContact SG-ND1 2.94Å; C145-H165 PolarHBondContact SG-CE1 3.27Å; C145-H165 PolarHBondContact SG-ND1 3.45Å; D149-H165 PolarHBondContact O-NE2 3.14Å; D149-H165 IonicContact OD1-CE1 3.22Å; D149-H165 PolarHBondContact OD1-CE1 3.39Å; D149-H165 VanDerWaalsContact OD1-CE1 3.23Å; D149-H165 IonicContact OD1-NE2 3.36Å; K153-H165 CarbonylContact O-C 3.4Å; K153-H165 VanDerWaalsContact O-CA 3.3Å; K153-H165 WeakPolarHBondContact O-CA 3.42Å; H165-F167 HydrophobicContact CB-CD1 3.77Å; H165-F167 HydrophobicContact CB-CD2 3.99Å; H165-F167 HydrophobicContact CB-CE1 3.43Å; H165-F167 VanDerWaalsContact CB-CE1 3.43Å; H165-F167 HydrophobicContact CB-CE2 3.66Å; H165-F167 HydrophobicContact CB-CG 4.04Å; H165-F167 HydrophobicContact CB-CZ 3.37Å; H165-F167 AromaticContact CD2-CE1 3.85Å; H165-F167 AromaticContact CD2-CZ 3.76Å; H165-F167 AromaticContact CG-CE1 3.62Å; H165-F167 AromaticContact CG-CE2 3.85Å; H165-F167 AromaticContact CG-CZ 3.27Å; H165-F167 AromaticContact ND1-CE2 3.85Å; H165-F167 AromaticContact ND1-CZ 3.49Å; H165-F167 WeakPolarHBondContact ND1-CZ 3.47Å; H165-F167 PolarHBondContact O-N 3.23Å; H165-C168 HydrophobicContact CB-CB 3.91Å; H165-C168 WeakPolarHBondContact O-CA 3.48Å; H165-C168 WeakPolarHBondContact O-CB 3.35Å; H165-C168 PolarHBondContact O-N 3.47Å; H165-V169 PolarHBondContact O-N 2.87Å; H165-V169 VanDerWaalsContact O-N 3.17Å
166T88.7Confident88.7Confident8 Ų852.9 Ų52.95%0.04931%0.305CS..G310 helixtrans-49-48.7173.352.50000110.9K153 L155 C168 V169 G170 L171K153-T166 PolarHBondContact O-N 3.17Å; L155-T166 HydrophobicContact CD1-CG2 3.79Å; L155-T166 HydrophobicContact CD2-CG2 4.11Å; L155-T166 HydrophobicContact CG-CG2 3.73Å; T166-C168 VanDerWaalsContact C-N 3.33Å; T166-C168 PolarHBondContact O-N 3.37Å; T166-V169 CarbonylContact O-C 3.48Å; T166-V169 WeakPolarHBondContact O-CG2 3.3Å; T166-V169 PolarHBondContact O-N 3.27Å; T166-V169 VanDerWaalsContact O-N 3.14Å; T166-G170 PolarHBondContact O-N 2.87Å; T166-G170 VanDerWaalsContact O-N 3.08Å; T166-L171 CarbonylContact C-O 3.55Å; T166-L171 VanDerWaalsContact C-O 3.24Å; T166-L171 WeakPolarHBondContact CB-O 3.49Å; T166-L171 PolarHBondContact O-N 3.08Å
167F89.5Confident88.5Confident115 Ų11552 Ų5250%0.50432%0.316SS..G310 helixtrans-67.9-27177.859.2-97.9000113.9A150 K153 H165 V169 G170A150-F167 HydrophobicContact CB-CE1 4.1Å; A150-F167 HydrophobicContact CB-CZ 4.45Å; K153-F167 HydrophobicContact CB-CE1 4.38Å; K153-F167 HydrophobicContact CD-CD1 4.44Å; H165-F167 HydrophobicContact CB-CD1 3.77Å; H165-F167 HydrophobicContact CB-CD2 3.99Å; H165-F167 HydrophobicContact CB-CE1 3.43Å; H165-F167 VanDerWaalsContact CB-CE1 3.43Å; H165-F167 HydrophobicContact CB-CE2 3.66Å; H165-F167 HydrophobicContact CB-CG 4.04Å; H165-F167 HydrophobicContact CB-CZ 3.37Å; H165-F167 AromaticContact CD2-CE1 3.85Å; H165-F167 AromaticContact CD2-CZ 3.76Å; H165-F167 AromaticContact CG-CE1 3.62Å; H165-F167 AromaticContact CG-CE2 3.85Å; H165-F167 AromaticContact CG-CZ 3.27Å; H165-F167 AromaticContact ND1-CE2 3.85Å; H165-F167 AromaticContact ND1-CZ 3.49Å; H165-F167 WeakPolarHBondContact ND1-CZ 3.47Å; H165-F167 PolarHBondContact O-N 3.23Å; F167-V169 VanDerWaalsContact C-N 3.29Å; F167-G170 PolarHBondContact O-N 2.92Å
168C84.2Confident88.3Confident32 Ų3257.5 Ų57.522%0.21635%0.352CS..G310 helixtrans-72.7-24.6174.6-74.60000112.3C142 I144 H165 T166C142-C168 VanDerWaalsContact SG-SG 3.65Å; I144-C168 HydrophobicContact CB-CB 3.98Å; I144-C168 HydrophobicContact CD1-CB 3.88Å; I144-C168 WeakPolarHBondContact CD1-O 3.31Å; I144-C168 HydrophobicContact CG1-CB 4.44Å; I144-C168 HydrophobicContact CG2-CB 4.17Å; H165-C168 HydrophobicContact CB-CB 3.91Å; H165-C168 WeakPolarHBondContact O-CA 3.48Å; H165-C168 WeakPolarHBondContact O-CB 3.35Å; H165-C168 PolarHBondContact O-N 3.47Å; T166-C168 VanDerWaalsContact C-N 3.33Å; T166-C168 PolarHBondContact O-N 3.37Å
169V86.7Confident88.3Confident47 Ų4755.9 Ų55.929%0.28534%0.341SS..THydrogen-bonded Turntrans-101.85176.4-63.40000113.2I144 Y164 H165 T166 F167 L171 W179I144-V169 HydrophobicContact CD1-CG1 3.82Å; Y164-V169 HydrophobicContact CD1-CG1 3.65Å; Y164-V169 HydrophobicContact CG-CG1 3.97Å; H165-V169 PolarHBondContact O-N 2.87Å; H165-V169 VanDerWaalsContact O-N 3.17Å; T166-V169 CarbonylContact O-C 3.48Å; T166-V169 WeakPolarHBondContact O-CG2 3.3Å; T166-V169 PolarHBondContact O-N 3.27Å; T166-V169 VanDerWaalsContact O-N 3.14Å; F167-V169 VanDerWaalsContact C-N 3.29Å; V169-L171 HydrophobicContact CG2-CB 4.27Å; V169-L171 HydrophobicContact CG2-CD1 3.82Å; V169-L171 HydrophobicContact CG2-CG 3.89Å; V169-W179 HydrophobicContact CB-CZ2 4.29Å; V169-W179 HydrophobicContact CG1-CH2 4.18Å; V169-W179 HydrophobicContact CG1-CZ2 3.99Å; V169-W179 HydrophobicContact CG2-CZ2 4.19Å
170G86.2Confident88.4Confident70 Ų7054.3 Ų54.372%0.72234%0.339SS*.THydrogen-bonded Turntrans77.119.717800000114.8T166 F167T166-G170 PolarHBondContact O-N 2.87Å; T166-G170 VanDerWaalsContact O-N 3.08Å; F167-G170 PolarHBondContact O-N 2.92Å
171L86.4Confident88.4Confident56 Ų5654.3 Ų54.329%0.29334%0.339SS..  trans-96.6139.6175.2-63175.7000110.5L155 T166 V169 G173 P175L155-L171 HydrophobicContact CD1-CD1 3.76Å; T166-L171 CarbonylContact C-O 3.55Å; T166-L171 VanDerWaalsContact C-O 3.24Å; T166-L171 WeakPolarHBondContact CB-O 3.49Å; T166-L171 PolarHBondContact O-N 3.08Å; V169-L171 HydrophobicContact CG2-CB 4.27Å; V169-L171 HydrophobicContact CG2-CD1 3.82Å; V169-L171 HydrophobicContact CG2-CG 3.89Å; L171-G173 VanDerWaalsContact C-N 3.33Å; L171-G173 WeakPolarHBondContact CB-O 3.21Å; L171-P175 HydrophobicContact CD1-CG 4.43Å
172S81.6Confident88.1Confident137 Ų13757.8 Ų57.896%0.95836%0.361SS*.SBendtrans-74.4-25.5174.550.90000112.6
173G84.3Confident87.6Confident23 Ų2358.9 Ų58.924%0.23737%0.374CS..SBendtrans-161.7-176.3178.100000111.6L171L171-G173 VanDerWaalsContact C-N 3.33Å; L171-G173 WeakPolarHBondContact CB-O 3.21Å
174P86.9Confident87.2Confident101 Ų10161.2 Ų61.266%0.65638%0.384SS*.  trans-59.1134.6171.6-2032.6000111.1L155L155-P174 HydrophobicContact CD2-CB 3.77Å; L155-P174 HydrophobicContact CD2-CG 4.08Å
175P88.8Confident87Confident50 Ų5061.1 Ų61.133%0.32538%0.384SS..  trans-70.7158177.130.3-33.7000111.5L171 G177 W179L171-P175 HydrophobicContact CD1-CG 4.43Å; P175-G177 PolarHBondContact O-N 3.49Å; P175-W179 HydrophobicContact CG-CB 3.56Å; P175-W179 HydrophobicContact CG-CG 3.82Å
176E86.7Confident86.4Confident204 Ų20465.3 Ų65.395%0.95341%0.405SS*.SBendtrans-76.2115.6170.9-66.2-176.7177.500109.6
177G88.3Confident85.4Confident55 Ų5571.7 Ų71.757%0.56743%0.429SS*.SBendtrans89.7-167.317900000114.6P175 W179P175-G177 PolarHBondContact O-N 3.49Å; G177-W179 PolarHBondContact O-N 3.27Å
178P88.3Confident84.1Confident116 Ų11671.4 Ų71.475%0.75342%0.424SS*.  trans-69.3133.1-172.127.3-33.9000111.8D158D158-P178 HydrophobicContact CB-CB 4.48Å; D158-P178 WeakPolarHBondContact OD2-CA 3.41Å
179W91.5Very high82.8Confident41 Ų4174.9 Ų74.916%0.15544%0.437CS..  trans-115.2129.4179.5-178.278.7000112.4L155 C157 D158 Y164 V169 P175 G177 C181L155-W179 HydrophobicContact CB-CE3 4.29Å; L155-W179 HydrophobicContact CB-CZ3 4.35Å; C157-W179 HydrophobicContact CB-CE3 4.34Å; C157-W179 HydrophobicContact CB-CZ3 4Å; D158-W179 PolarHBondContact N-O 2.75Å; D158-W179 PolarHBondContact OD2-N 3Å; Y164-W179 HydrophobicContact CD1-CH2 4.27Å; Y164-W179 AromaticContact CD2-CH2 3.38Å; Y164-W179 HydrophobicContact CD2-CH2 3.38Å; Y164-W179 AromaticContact CD2-CZ3 3.51Å; Y164-W179 HydrophobicContact CD2-CZ3 3.51Å; Y164-W179 AromaticContact CE2-CH2 3.93Å; Y164-W179 HydrophobicContact CE2-CH2 3.93Å; Y164-W179 HydrophobicContact CE2-CZ3 4.09Å; Y164-W179 AromaticContact CG-CH2 3.59Å; Y164-W179 HydrophobicContact CG-CH2 3.59Å; Y164-W179 HydrophobicContact CG-CZ3 4.12Å; V169-W179 HydrophobicContact CB-CZ2 4.29Å; V169-W179 HydrophobicContact CG1-CH2 4.18Å; V169-W179 HydrophobicContact CG1-CZ2 3.99Å; V169-W179 HydrophobicContact CG2-CZ2 4.19Å; P175-W179 HydrophobicContact CG-CB 3.56Å; P175-W179 HydrophobicContact CG-CG 3.82Å; G177-W179 PolarHBondContact O-N 3.27Å; W179-C181 HydrophobicContact CH2-CB 3.71Å; W179-C181 HydrophobicContact CZ2-CB 4.33Å; W179-C181 HydrophobicContact CZ3-CB 4.06Å
180V91.9Very high81Confident44 Ų4476 Ų7627%0.26746%0.458SS..  trans-121125-175.3-170.40000109.6R159 V182 C185 L186R159-V180 HydrophobicContact CB-CG1 4.01Å; V180-V182 PolarHBondContact O-N 3.27Å; V180-C185 HydrophobicContact CG1-CB 3.21Å; V180-L186 HydrophobicContact CG1-CG 4.47Å
181C90.1Very high79.1Confident1 Ų177.6 Ų77.61%0.00746%0.458CS..  trans-67.1131.6-175.269.90000112.4C157 Y164 W179 A183 C185 L186C157-C181 HydrophobicContact CB-CB 3.96Å; C157-C181 PolarHBondContact SG-N 2.76Å; Y164-C181 HydrophobicContact CD2-CB 4.28Å; Y164-C181 HydrophobicContact CE1-CB 4.37Å; Y164-C181 HydrophobicContact CE2-CB 3.45Å; Y164-C181 VanDerWaalsContact CE2-CB 3.45Å; Y164-C181 WeakPolarHBondContact OH-CB 3.43Å; Y164-C181 PolarHBondContact OH-SG 2.72Å; W179-C181 HydrophobicContact CH2-CB 3.71Å; W179-C181 HydrophobicContact CZ2-CB 4.33Å; W179-C181 HydrophobicContact CZ3-CB 4.06Å; C181-A183 VanDerWaalsContact C-N 3.29Å; C181-A183 PolarHBondContact O-N 3.11Å; C181-C185 WeakPolarHBondContact O-CB 3.42Å; C181-C185 PolarHBondContact O-N 2.93Å; C181-C185 VanDerWaalsContact O-N 3.11Å; C181-C185 VanDerWaalsContact SG-SG 3.63Å; C181-L186 PolarHBondContact O-N 2.88Å
182V85.4Confident76.9Confident90 Ų9082.6 Ų82.655%0.54549%0.485SS..Iπ-helixtrans-61.8-39.7176.9-178.30000111.6V180 Y184 L186 R187V180-V182 PolarHBondContact O-N 3.27Å; V182-Y184 VanDerWaalsContact C-N 3.33Å; V182-Y184 PolarHBondContact O-N 2.9Å; V182-L186 HydrophobicContact CB-CD1 4.3Å; V182-L186 HydrophobicContact CG2-CD1 3.71Å; V182-R187 WeakPolarHBondContact O-CG 3.31Å
183A80Confident74.9Confident43 Ų4381 Ų8136%0.35547%0.474SS..Iπ-helixtrans-61.9-34.5-170.800000114.4C181C181-A183 VanDerWaalsContact C-N 3.29Å; C181-A183 PolarHBondContact O-N 3.11Å
184Y83.5Confident72.2Confident49 Ų4984.3 Ų84.319%0.19251%0.508CS..Iπ-helixtrans-124.2-30.5-174.1-62.5-86.9000115Y164 V182 R188 I225Y164-Y184 WeakPolarHBondContact OH-CD2 3.47Å; Y164-Y184 VanDerWaalsContact OH-CE2 3.28Å; Y164-Y184 WeakPolarHBondContact OH-CE2 3.42Å; V182-Y184 VanDerWaalsContact C-N 3.33Å; V182-Y184 PolarHBondContact O-N 2.9Å; Y184-R188 WeakPolarHBondContact O-CG 3.35Å; Y184-I225 HydrophobicContact CE1-CD1 3.71Å; Y184-I225 HydrophobicContact CE2-CD1 3.93Å; Y184-I225 WeakPolarHBondContact OH-CD1 3.26Å
185C86.4Confident69.8Low2 Ų284.4 Ų84.41%0.01451%0.511CS..Iπ-helixtrans-99.1-57.1-170.2-65.80000111.2R159 C160 V180 C181 R187 R188R159-C185 HydrophobicContact CB-CB 4.48Å; C160-C185 VanDerWaalsContact CB-SG 3.59Å; C160-C185 VanDerWaalsContact SG-SG 3.63Å; V180-C185 HydrophobicContact CG1-CB 3.21Å; C181-C185 WeakPolarHBondContact O-CB 3.42Å; C181-C185 PolarHBondContact O-N 2.93Å; C181-C185 VanDerWaalsContact O-N 3.11Å; C181-C185 VanDerWaalsContact SG-SG 3.63Å; C185-R187 VanDerWaalsContact C-N 3.31Å; C185-R187 PolarHBondContact O-N 2.96Å; C185-R188 PolarHBondContact O-N 3.47Å
186L79.3Confident67.1Low88 Ų8888.7 Ų88.746%0.46154%0.536SS..Iπ-helixtrans-64.3-34.8-176.9-69.3164.4000112.7V180 C181 V182 R188 E189V180-L186 HydrophobicContact CG1-CG 4.47Å; C181-L186 PolarHBondContact O-N 2.88Å; V182-L186 HydrophobicContact CB-CD1 4.3Å; V182-L186 HydrophobicContact CG2-CD1 3.71Å; L186-R188 PolarHBondContact O-N 3.35Å; L186-R188 VanDerWaalsContact O-N 3.13Å; L186-E189 PolarHBondContact O-N 3.27Å
187R68.3Low64.7Low142 Ų14286.6 Ų86.654%0.53653%0.531SS..Hα-helixtrans-62.6-17.5175.6-78-179.3179.3-151.9-5.5114.4V182 C185 C223V182-R187 WeakPolarHBondContact O-CG 3.31Å; C185-R187 VanDerWaalsContact C-N 3.31Å; C185-R187 PolarHBondContact O-N 2.96Å; R187-C223 PolarHBondContact NH1-O 3.32Å
188R61.6Low61.9Low108 Ų10895.1 Ų95.141%0.40855%0.546SS..Hα-helixtrans-93.2-19.1-178.2-71.3-172.7179-158.62.8114Y184 C185 L186Y184-R188 WeakPolarHBondContact O-CG 3.35Å; C185-R188 PolarHBondContact O-N 3.47Å; L186-R188 PolarHBondContact O-N 3.35Å; L186-R188 VanDerWaalsContact O-N 3.13Å
189E57Low59.5Low106 Ų10695.9 Ų95.950%0.49555%0.549SS..Hα-helixtrans-88.3-12.3-175.5-68.9175.9177.900112.4R159 L186 S191R159-E189 IonicContact CZ-OE1 2.67Å; R159-E189 IonicContact NE-OE1 2.66Å; R159-E189 PolarHBondContact NE-OE1 3.2Å; R159-E189 IonicContact NH2-OE1 2.79Å; R159-E189 PolarHBondContact NH2-OE1 3.48Å; L186-E189 PolarHBondContact O-N 3.27Å; E189-S191 VanDerWaalsContact C-N 3.32Å; E189-S191 PolarHBondContact O-N 3.11Å
190G47.6Very low56.9Low70 Ų70100.4 Ų100.472%0.72258%0.576SS**THydrogen-bonded Turntrans-82.218.2179.900000116.8
191S47.7Very low54.2Low103 Ų103102.2 Ų102.272%0.7260%0.604SS**THydrogen-bonded Turntrans-1177.1-175.5-54.90000115.7E189E189-S191 VanDerWaalsContact C-N 3.32Å; E189-S191 PolarHBondContact O-N 3.11Å
192N40.2Very low52Low161 Ų161106.5 Ų106.586%0.86163%0.633SS**SBendtrans-141.415.5-176.6-13016.7000118.2
193S39.2Very low50.2Low105 Ų105106.6 Ų106.673%0.73464%0.638SS**SBendtrans-160.1119.1169.348.60000109.9S195S193-S195 PolarHBondContact O-N 3.17Å
194G28.4Very low48.7Very low91 Ų91107.2 Ų107.294%0.93864%0.638SS**  trans-56.3120.9-177.400000112.4
195S35.1Very low47.2Very low103 Ų103108.3 Ų108.372%0.7265%0.654SS**  trans-151.3116.3154.5-174.60000108.4S193 L197S193-S195 PolarHBondContact O-N 3.17Å; S195-L197 PolarHBondContact O-N 3.3Å
196T32.4Very low45.8Very low140 Ų140113.6 Ų113.686%0.85969%0.687SS**  trans-57.491176.635.30000111.9
197L36.7Very low44.7Very low160 Ų160112.6 Ų112.684%0.83869%0.692SS**  trans-128.698154.3-91.9153.6000107.7S195 T199S195-L197 PolarHBondContact O-N 3.3Å; L197-T199 PolarHBondContact O-N 3.4Å
198R28.8Very low44Very low234 Ų234108.3 Ų108.388%0.88369%0.687SS**  trans-59.2112.2173.2-66.2179.5165.2-176.1-5.1108.7
199T38.8Very low43.6Very low133 Ų133104 Ų10482%0.81668%0.675SS**  trans-122.8108.4143.659.70000106L197 G201L197-T199 PolarHBondContact O-N 3.4Å; T199-G201 PolarHBondContact O-N 3.4Å
200D36.2Very low43.6Very low136 Ų136101.7 Ų101.773%0.72767%0.674SS**  trans-41.4135.1179.1-72.2-53.9000111.8S202D200-S202 PolarHBondContact O-N 3.14Å
201G34.7Very low44Very low82 Ų82100.9 Ų100.985%0.84566%0.66SS**  trans-63.862.6164.100000111.2T199 S203T199-G201 PolarHBondContact O-N 3.4Å; G201-S203 VanDerWaalsContact C-N 3.31Å; G201-S203 PolarHBondContact O-N 3.15Å
202S43.9Very low44.1Very low90 Ų9097.2 Ų97.263%0.62964%0.636SS**  trans-7691.1172.5-63.20000107.1D200D200-S202 PolarHBondContact O-N 3.14Å
203S47.9Very low45Very low92 Ų9292.9 Ų92.964%0.64362%0.616SS**  trans-37.9131.6149.6-69.70000107.7G201 S205G201-S203 VanDerWaalsContact C-N 3.31Å; G201-S203 PolarHBondContact O-N 3.15Å; S203-S205 PolarHBondContact O-N 3.24Å; S203-S205 VanDerWaalsContact O-N 3.11Å
204P48.4Very low46Very low56 Ų5692 Ų9236%0.36461%0.614SS.*  trans-51.7129.9174.321.1-30.4000107.1A208 A209P204-A208 HydrophobicContact CB-CB 3.97Å; P204-A209 HydrophobicContact CG-CB 4.38Å
205S52.3Low47.5Very low73 Ų7393.7 Ų93.751%0.5160%0.602SS.*  trans-43.5141.8172.2165.50000108.3S203 A207 A208 A209S203-S205 PolarHBondContact O-N 3.24Å; S203-S205 VanDerWaalsContact O-N 3.11Å; S205-A207 CarbonylContact O-C 3.52Å; S205-A207 PolarHBondContact O-N 3.3Å; S205-A207 PolarHBondContact OG-N 3.26Å; S205-A208 WeakPolarHBondContact O-CA 3.18Å; S205-A208 PolarHBondContact O-N 3.41Å; S205-A209 PolarHBondContact O-N 2.96Å; S205-A209 VanDerWaalsContact O-N 3.1Å
206P57.6Low49Very low112 Ų11289.7 Ų89.773%0.72758%0.577SS**Hα-helixtrans-45.8-31.7177.4-27.832.8000112.8A210P206-A210 WeakPolarHBondContact O-CB 3.01Å; P206-A210 PolarHBondContact O-N 3.06Å
207A56.1Low50.6Low68 Ų6885.8 Ų85.856%0.56255%0.55SS**Hα-helixtrans-65.3-41.8173.300000114.3S205 A210 A211S205-A207 CarbonylContact O-C 3.52Å; S205-A207 PolarHBondContact O-N 3.3Å; S205-A207 PolarHBondContact OG-N 3.26Å; A207-A210 PolarHBondContact O-N 3.45Å; A207-A211 VanDerWaalsContact O-CB 3.27Å; A207-A211 WeakPolarHBondContact O-CB 3.46Å; A207-A211 PolarHBondContact O-N 3.05Å
208A53Low52.2Low51 Ų5179.5 Ų79.542%0.42152%0.517SS..Hα-helixtrans-72.3-37.4177.800000112P204 S205 A211 A212P204-A208 HydrophobicContact CB-CB 3.97Å; S205-A208 WeakPolarHBondContact O-CA 3.18Å; S205-A208 PolarHBondContact O-N 3.41Å; A208-A211 PolarHBondContact O-N 2.72Å; A208-A212 WeakPolarHBondContact O-CB 3.23Å; A208-A212 PolarHBondContact O-N 2.83Å
209A53.5Low54.3Low18 Ų1873 Ų7315%0.14949%0.493CS..Hα-helixtrans-65.3-40.2171.800000111.7P204 S205 T213 Y219P204-A209 HydrophobicContact CG-CB 4.38Å; S205-A209 PolarHBondContact O-N 2.96Å; S205-A209 VanDerWaalsContact O-N 3.1Å; A209-T213 WeakPolarHBondContact O-CB 3.05Å; A209-T213 PolarHBondContact O-N 2.8Å; A209-T213 VanDerWaalsContact O-N 3.1Å; A209-T213 PolarHBondContact O-OG1 3.06Å; A209-Y219 HydrophobicContact CB-CE1 4.44Å
210A57.6Low56Low58 Ų5866.6 Ų66.648%0.47946%0.455SS..Hα-helixtrans-66.3-43.5174.300000112.2P206 A207 T213 A214P206-A210 WeakPolarHBondContact O-CB 3.01Å; P206-A210 PolarHBondContact O-N 3.06Å; A207-A210 PolarHBondContact O-N 3.45Å; A210-T213 WeakPolarHBondContact O-CB 3.39Å; A210-T213 PolarHBondContact O-N 3.35Å; A210-A214 PolarHBondContact O-N 3.28Å
211A54.6Low58.1Low52 Ų5263 Ų6343%0.4343%0.433SS..Hα-helixtrans-65-39.7177.400000112.6A207 A208 T213 A214 N215A207-A211 VanDerWaalsContact O-CB 3.27Å; A207-A211 WeakPolarHBondContact O-CB 3.46Å; A207-A211 PolarHBondContact O-N 3.05Å; A208-A211 PolarHBondContact O-N 2.72Å; A211-T213 VanDerWaalsContact C-N 3.31Å; A211-T213 PolarHBondContact O-N 2.92Å; A211-A214 WeakPolarHBondContact O-CB 3.38Å; A211-A214 PolarHBondContact O-N 3.21Å; A211-N215 PolarHBondContact O-N 3.13Å; A211-N215 VanDerWaalsContact O-N 3.1Å
212A51.4Low60.2Low27 Ų2762.5 Ų62.522%0.22341%0.411CS..Hα-helixtrans-62.7-39.5172.800000111.7A208 A214 N215 L217A208-A212 WeakPolarHBondContact O-CB 3.23Å; A208-A212 PolarHBondContact O-N 2.83Å; A212-A214 VanDerWaalsContact C-N 3.34Å; A212-N215 PolarHBondContact O-N 3.27Å; A212-L217 WeakPolarHBondContact O-CB 3.46Å; A212-L217 PolarHBondContact O-N 2.76Å
213T59.1Low61.8Low70 Ų7060 Ų6043%0.42939%0.393SS..Hα-helixtrans-66.8-36176.5-54.40000112A209 A210 A211 N215 G216 K229A209-T213 WeakPolarHBondContact O-CB 3.05Å; A209-T213 PolarHBondContact O-N 2.8Å; A209-T213 VanDerWaalsContact O-N 3.1Å; A209-T213 PolarHBondContact O-OG1 3.06Å; A210-T213 WeakPolarHBondContact O-CB 3.39Å; A210-T213 PolarHBondContact O-N 3.35Å; A211-T213 VanDerWaalsContact C-N 3.31Å; A211-T213 PolarHBondContact O-N 2.92Å; T213-N215 VanDerWaalsContact C-N 3.34Å; T213-G216 PolarHBondContact O-N 2.78Å; T213-G216 VanDerWaalsContact O-N 3.16Å; T213-K229 PolarHBondContact O-NZ 3.38Å
214A58.7Low63.2Low85 Ų8559.3 Ų59.370%0.70238%0.38SS*.Hα-helixtrans-63.5-37.617400000112.1A210 A211 A212 G216A210-A214 PolarHBondContact O-N 3.28Å; A211-A214 WeakPolarHBondContact O-CB 3.38Å; A211-A214 PolarHBondContact O-N 3.21Å; A212-A214 VanDerWaalsContact C-N 3.34Å; A214-G216 PolarHBondContact O-N 3.26Å
215N61.7Low64.3Low128 Ų12857.7 Ų57.768%0.68437%0.368SS*.THydrogen-bonded Turntrans-78.310.2174.6-71.4-25000114.3A211 A212 T213 L217A211-N215 PolarHBondContact O-N 3.13Å; A211-N215 VanDerWaalsContact O-N 3.1Å; A212-N215 PolarHBondContact O-N 3.27Å; T213-N215 VanDerWaalsContact C-N 3.34Å; N215-L217 HydrophobicContact CB-CD1 4.3Å; N215-L217 HydrophobicContact CB-CG 4.35Å; N215-L217 PolarHBondContact O-N 3.26Å
216G65Low65.1Low19 Ų1957.4 Ų57.420%0.19636%0.363CS..THydrogen-bonded Turntrans67.924179.400000113.8T213 A214 K229T213-G216 PolarHBondContact O-N 2.78Å; T213-G216 VanDerWaalsContact O-N 3.16Å; A214-G216 PolarHBondContact O-N 3.26Å; G216-K229 VanDerWaalsContact O-CB 3.27Å; G216-K229 WeakPolarHBondContact O-CB 3.45Å; G216-K229 WeakPolarHBondContact O-CG 3.48Å; G216-K229 PolarHBondContact O-N 2.89Å
217L66Low65.2Low57 Ų5753.1 Ų53.130%0.29833%0.333SS..EExtended strand (participates in β ladder)trans-97146.3174.1-57.9171.1000109.6A212 N215 V226 M227A212-L217 WeakPolarHBondContact O-CB 3.46Å; A212-L217 PolarHBondContact O-N 2.76Å; N215-L217 HydrophobicContact CB-CD1 4.3Å; N215-L217 HydrophobicContact CB-CG 4.35Å; N215-L217 PolarHBondContact O-N 3.26Å; L217-V226 HydrophobicContact CB-CG1 3.65Å; L217-V226 HydrophobicContact CD1-CG1 3.95Å; L217-V226 HydrophobicContact CD2-CG1 4.25Å; L217-V226 HydrophobicContact CG-CG1 4.16Å; L217-M227 CarbonylContact C-O 3.24Å; L217-M227 WeakPolarHBondContact CA-O 3.43Å
218I70.3Confident65.6Low28 Ų2851.4 Ų51.414%0.14432%0.317CS..EExtended strand (participates in β ladder)trans-123.6138.3176.8-58174.8000107.1V226 M227 K229 L232 V244I218-V226 CarbonylContact O-C 3.54Å; I218-V226 WeakPolarHBondContact O-CA 3.46Å; I218-M227 PolarHBondContact N-O 2.96Å; I218-M227 PolarHBondContact O-N 2.72Å; I218-K229 HydrophobicContact CD1-CB 4.49Å; I218-K229 HydrophobicContact CD1-CG 3.75Å; I218-K229 HydrophobicContact CG1-CG 3.82Å; I218-L232 HydrophobicContact CD1-CD1 3.44Å; I218-L232 VanDerWaalsContact CD1-CD1 3.44Å; I218-V244 HydrophobicContact CG2-CB 3.62Å; I218-V244 HydrophobicContact CG2-CG1 3.5Å; I218-V244 HydrophobicContact CG2-CG2 3.74Å
219Y73.6Confident66.1Low97 Ų9754 Ų5438%0.3832%0.319SS..EExtended strand (participates in β ladder)trans-108.8154.5175.864.4-86.8000112.3A209 I225A209-Y219 HydrophobicContact CB-CE1 4.44Å; Y219-I225 CarbonylContact C-O 3.55Å; Y219-I225 WeakPolarHBondContact CA-O 2.83Å
220C74.9Confident66.5Low0 Ų060 Ų600%035%0.349CS..  trans-78.7129.5168.7-175.30000109.5D222 C223 Q224 I225 W235 V244 C246 C249C220-D222 VanDerWaalsContact C-N 3.3Å; C220-D222 PolarHBondContact O-N 3.4Å; C220-D222 PolarHBondContact SG-N 2.75Å; C220-C223 WeakPolarHBondContact CB-SG 3.46Å; C220-C223 VanDerWaalsContact SG-SG 3.62Å; C220-Q224 WeakPolarHBondContact O-CA 3.45Å; C220-Q224 PolarHBondContact O-N 3.09Å; C220-I225 HydrophobicContact CB-CG2 3.68Å; C220-I225 PolarHBondContact N-O 3.44Å; C220-W235 VanDerWaalsContact CA-CH2 3.47Å; C220-W235 HydrophobicContact CB-CH2 3.42Å; C220-W235 VanDerWaalsContact CB-CH2 3.42Å; C220-W235 HydrophobicContact CB-CZ3 3.63Å; C220-V244 WeakPolarHBondContact CA-O 3.39Å; C220-C246 HydrophobicContact CB-CB 4.2Å; C220-C246 PolarHBondContact SG-N 2.78Å; C220-C249 VanDerWaalsContact SG-SG 3.65Å
221E79.2Confident66.7Low60 Ų6058.3 Ų58.328%0.2833%0.331SS..THydrogen-bonded Turntrans-57.6-44.4174.4-170.6-176.3-158.400111.7R243 V244 L245 R253E221-R243 VanDerWaalsContact OE1-CD 3.27Å; E221-R243 WeakPolarHBondContact OE1-CD 3.44Å; E221-R243 IonicContact OE1-CZ 2.86Å; E221-R243 VanDerWaalsContact OE1-CZ 3.22Å; E221-R243 IonicContact OE1-NE 2.83Å; E221-R243 PolarHBondContact OE1-NE 3.31Å; E221-R243 IonicContact OE1-NH1 2.7Å; E221-R243 PolarHBondContact OE1-NH1 3.26Å; E221-R243 WeakPolarHBondContact OE2-CD 3.36Å; E221-R243 IonicContact OE2-NH1 3.9Å; E221-V244 PolarHBondContact N-O 2.98Å; E221-L245 HydrophobicContact CB-CD2 3.9Å; E221-R253 IonicContact OE2-CZ 3.76Å; E221-R253 IonicContact OE2-NH1 3.7Å; E221-R253 IonicContact OE2-NH2 3.75Å; E221-R253 PolarHBondContact OE2-NH2 3.05Å
222D79.7Confident66.9Low71 Ų7158.4 Ų58.438%0.3832%0.324SS..THydrogen-bonded Turntrans-74.4-49.9-175.6-72.5-16.1000114.5C220 L245 C249 R253C220-D222 VanDerWaalsContact C-N 3.3Å; C220-D222 PolarHBondContact O-N 3.4Å; C220-D222 PolarHBondContact SG-N 2.75Å; D222-L245 HydrophobicContact CB-CD2 4.2Å; D222-L245 WeakPolarHBondContact OD2-CD2 3.18Å; D222-C249 HydrophobicContact CB-CB 3.76Å; D222-C249 VanDerWaalsContact CB-SG 3.51Å; D222-C249 WeakPolarHBondContact OD2-CB 3.28Å; D222-R253 IonicContact OD1-CZ 3.25Å; D222-R253 VanDerWaalsContact OD1-CZ 3.25Å; D222-R253 IonicContact OD1-NE 3.14Å; D222-R253 PolarHBondContact OD1-NE 3.46Å; D222-R253 VanDerWaalsContact OD1-NE 3.14Å; D222-R253 IonicContact OD1-NH2 2.94Å; D222-R253 PolarHBondContact OD1-NH2 2.91Å; D222-R253 IonicContact OD2-CZ 3.67Å; D222-R253 IonicContact OD2-NE 2.89Å; D222-R253 PolarHBondContact OD2-NE 3.38Å; D222-R253 IonicContact OD2-NH2 3.33Å
223C77.5Confident67.3Low37 Ų3764.1 Ų64.125%0.2535%0.346CS..THydrogen-bonded Turntrans-106.40.5-173.7660000113.9R187 C220 I225 C249R187-C223 PolarHBondContact NH1-O 3.32Å; C220-C223 WeakPolarHBondContact CB-SG 3.46Å; C220-C223 VanDerWaalsContact SG-SG 3.62Å; C223-I225 PolarHBondContact O-N 3.4Å; C223-I225 WeakPolarHBondContact SG-CG2 3.49Å; C223-C249 VanDerWaalsContact SG-SG 3.63Å
224Q76.6Confident67.2Low78 Ų7864.3 Ų64.336%0.36434%0.341SS..  trans53.820.3-175.5-63.2-171.9-24.100114.7C220 V226C220-Q224 WeakPolarHBondContact O-CA 3.45Å; C220-Q224 PolarHBondContact O-N 3.09Å; Q224-V226 PolarHBondContact O-N 2.91Å
225I71.6Confident67.1Low22 Ų2261 Ų6111%0.11331%0.31CS..  trans-67.8126.3176.1-166.1169.2000110.2Y184 Y219 C220 C223 M227 W235 C246Y184-I225 HydrophobicContact CE1-CD1 3.71Å; Y184-I225 HydrophobicContact CE2-CD1 3.93Å; Y184-I225 WeakPolarHBondContact OH-CD1 3.26Å; Y219-I225 CarbonylContact C-O 3.55Å; Y219-I225 WeakPolarHBondContact CA-O 2.83Å; C220-I225 HydrophobicContact CB-CG2 3.68Å; C220-I225 PolarHBondContact N-O 3.44Å; C223-I225 PolarHBondContact O-N 3.4Å; C223-I225 WeakPolarHBondContact SG-CG2 3.49Å; I225-M227 HydrophobicContact CG1-CG 4.45Å; I225-M227 HydrophobicContact CG2-SD 4.49Å; I225-W235 HydrophobicContact CG2-CH2 4.06Å; I225-W235 HydrophobicContact CG2-CZ2 4.27Å; I225-C246 HydrophobicContact CG2-CB 4.02Å
226V69.8Low66.8Low67 Ų6761.4 Ų61.441%0.40631%0.306SS..EExtended strand (participates in β ladder)trans-90.5130.7178.1-175.40000109.1L217 I218 Q224L217-V226 HydrophobicContact CB-CG1 3.65Å; L217-V226 HydrophobicContact CD1-CG1 3.95Å; L217-V226 HydrophobicContact CD2-CG1 4.25Å; L217-V226 HydrophobicContact CG-CG1 4.16Å; I218-V226 CarbonylContact O-C 3.54Å; I218-V226 WeakPolarHBondContact O-CA 3.46Å; Q224-V226 PolarHBondContact O-N 2.91Å
227M60Low66.2Low22 Ų2269 Ų6911%0.10833%0.328CS..EExtended strand (participates in β ladder)trans-136.6153.3177.2-63.3-17870.300109.8L217 I218 I225 E231 K234 W235L217-M227 CarbonylContact C-O 3.24Å; L217-M227 WeakPolarHBondContact CA-O 3.43Å; I218-M227 PolarHBondContact N-O 2.96Å; I218-M227 PolarHBondContact O-N 2.72Å; I225-M227 HydrophobicContact CG1-CG 4.45Å; I225-M227 HydrophobicContact CG2-SD 4.49Å; M227-E231 HydrophobicContact CE-CB 3.95Å; M227-E231 HydrophobicContact CE-CG 4.45Å; M227-E231 WeakPolarHBondContact CE-OE2 3.32Å; M227-K234 HydrophobicContact CE-CD 3.69Å; M227-W235 HydrophobicContact CB-CZ2 3.99Å; M227-W235 HydrophobicContact CG-CZ2 3.79Å; M227-W235 VanDerWaalsContact SD-CE2 3.6Å; M227-W235 HydrophobicContact SD-CH2 4.49Å; M227-W235 HydrophobicContact SD-CZ2 3.31Å; M227-W235 WeakPolarHBondContact SD-CZ2 3.03Å; M227-W235 PolarHBondContact SD-NE1 3.43Å; M227-W235 VanDerWaalsContact SD-NE1 3.43Å
228S63.3Low65.5Low32 Ų3272 Ų7222%0.22434%0.336CS..EExtended strand (participates in β ladder)trans-68.4148.7176.474.10000111.7N230 E231S228-N230 PolarHBondContact O-N 3.38Å; S228-E231 PolarHBondContact O-N 2.91Å
229K63.8Low64.4Low105 Ų10577.2 Ų77.246%0.45737%0.369SS..G310 helixtrans-51.8-26171.3-87.9173-170.5171.30112.9T213 G216 I218 E231 L232T213-K229 PolarHBondContact O-NZ 3.38Å; G216-K229 VanDerWaalsContact O-CB 3.27Å; G216-K229 WeakPolarHBondContact O-CB 3.45Å; G216-K229 WeakPolarHBondContact O-CG 3.48Å; G216-K229 PolarHBondContact O-N 2.89Å; I218-K229 HydrophobicContact CD1-CB 4.49Å; I218-K229 HydrophobicContact CD1-CG 3.75Å; I218-K229 HydrophobicContact CG1-CG 3.82Å; K229-E231 PolarHBondContact O-N 2.86Å; K229-L232 WeakPolarHBondContact O-CB 3.29Å; K229-L232 PolarHBondContact O-N 3.28Å
230N61.9Low63Low145 Ų14579.1 Ų79.178%0.77539%0.385SS*.G310 helixtrans-69.9-19178.4-63.2-15000113S228 L232 H233S228-N230 PolarHBondContact O-N 3.38Å; N230-L232 VanDerWaalsContact C-N 3.34Å; N230-H233 PolarHBondContact O-ND1 2.98Å
231E62Low62Low23 Ų2388.7 Ų88.711%0.10743%0.427CS..G310 helixtrans-93.712177.8-57.6-13812200112.9M227 S228 K229 H233 K234 W235M227-E231 HydrophobicContact CE-CB 3.95Å; M227-E231 HydrophobicContact CE-CG 4.45Å; M227-E231 WeakPolarHBondContact CE-OE2 3.32Å; S228-E231 PolarHBondContact O-N 2.91Å; K229-E231 PolarHBondContact O-N 2.86Å; E231-H233 PolarHBondContact O-N 3.42Å; E231-K234 HydrophobicContact CB-CD 4.25Å; E231-K234 WeakPolarHBondContact O-CB 3.41Å; E231-K234 PolarHBondContact O-N 3.48Å; E231-K234 WeakPolarHBondContact OE1-CE 3.42Å; E231-K234 IonicContact OE1-NZ 2.93Å; E231-K234 PolarHBondContact OE1-NZ 2.8Å; E231-K234 IonicContact OE2-NZ 2.62Å; E231-K234 PolarHBondContact OE2-NZ 3.19Å; E231-W235 VanDerWaalsContact O-CD1 3.27Å
232L59.5Low61.1Low53 Ų5392.9 Ų92.928%0.27745%0.451SS..G310 helixtrans-53.5-28.2-178.5-163.880.7000113.2I218 K229 N230 K234 W235I218-L232 HydrophobicContact CD1-CD1 3.44Å; I218-L232 VanDerWaalsContact CD1-CD1 3.44Å; K229-L232 WeakPolarHBondContact O-CB 3.29Å; K229-L232 PolarHBondContact O-N 3.28Å; N230-L232 VanDerWaalsContact C-N 3.34Å; L232-K234 PolarHBondContact O-N 3.45Å; L232-W235 WeakPolarHBondContact O-CA 3.3Å; L232-W235 WeakPolarHBondContact O-CB 3.07Å; L232-W235 PolarHBondContact O-N 2.91Å
233H58.3Low60.5Low148 Ų14896.8 Ų96.869%0.68546%0.461SS*.G310 helixtrans-60.8-22.9174.968.2-87000113.7N230 E231 W235N230-H233 PolarHBondContact O-ND1 2.98Å; E231-H233 PolarHBondContact O-N 3.42Å; H233-W235 PolarHBondContact O-N 3.4Å
234K57.5Low60.4Low74 Ų7496.4 Ų96.432%0.32246%0.457SS..G310 helixtrans-77.5-5.2172.6-61.5-179179.2169.70112.7M227 E231 L232 S247M227-K234 HydrophobicContact CE-CD 3.69Å; E231-K234 HydrophobicContact CB-CD 4.25Å; E231-K234 WeakPolarHBondContact O-CB 3.41Å; E231-K234 PolarHBondContact O-N 3.48Å; E231-K234 WeakPolarHBondContact OE1-CE 3.42Å; E231-K234 IonicContact OE1-NZ 2.93Å; E231-K234 PolarHBondContact OE1-NZ 2.8Å; E231-K234 IonicContact OE2-NZ 2.62Å; E231-K234 PolarHBondContact OE2-NZ 3.19Å; L232-K234 PolarHBondContact O-N 3.45Å; K234-S247 WeakPolarHBondContact O-CB 3.35Å; K234-S247 PolarHBondContact O-N 2.96Å
235W56.2Low60.2Low14 Ų1493.4 Ų93.45%0.05344%0.444CS..BIsolated β-bridgetrans-116.9127.9-176.4-5875.9000109.7C220 I225 M227 E231 L232 H233 V244 L245 C246C220-W235 VanDerWaalsContact CA-CH2 3.47Å; C220-W235 HydrophobicContact CB-CH2 3.42Å; C220-W235 VanDerWaalsContact CB-CH2 3.42Å; C220-W235 HydrophobicContact CB-CZ3 3.63Å; I225-W235 HydrophobicContact CG2-CH2 4.06Å; I225-W235 HydrophobicContact CG2-CZ2 4.27Å; M227-W235 HydrophobicContact CB-CZ2 3.99Å; M227-W235 HydrophobicContact CG-CZ2 3.79Å; M227-W235 VanDerWaalsContact SD-CE2 3.6Å; M227-W235 HydrophobicContact SD-CH2 4.49Å; M227-W235 HydrophobicContact SD-CZ2 3.31Å; M227-W235 WeakPolarHBondContact SD-CZ2 3.03Å; M227-W235 PolarHBondContact SD-NE1 3.43Å; M227-W235 VanDerWaalsContact SD-NE1 3.43Å; E231-W235 VanDerWaalsContact O-CD1 3.27Å; L232-W235 WeakPolarHBondContact O-CA 3.3Å; L232-W235 WeakPolarHBondContact O-CB 3.07Å; L232-W235 PolarHBondContact O-N 2.91Å; H233-W235 PolarHBondContact O-N 3.4Å; W235-V244 HydrophobicContact CB-CG1 4.06Å; W235-V244 HydrophobicContact CD2-CG1 3.6Å; W235-V244 HydrophobicContact CE3-CB 4.05Å; W235-V244 HydrophobicContact CE3-CG1 3.08Å; W235-V244 HydrophobicContact CG-CG1 4Å; W235-V244 VanDerWaalsContact CZ3-C 3.5Å; W235-V244 HydrophobicContact CZ3-CB 4.18Å; W235-V244 HydrophobicContact CZ3-CG1 3.63Å; W235-L245 VanDerWaalsContact CE3-N 3.34Å; W235-L245 VanDerWaalsContact CZ3-CA 3.48Å; W235-C246 HydrophobicContact CE3-CB 4.23Å; W235-C246 HydrophobicContact CH2-CB 3.68Å; W235-C246 HydrophobicContact CZ2-CB 3.96Å; W235-C246 HydrophobicContact CZ3-CB 3.83Å
236K55Low60.2Low138 Ų13893 Ų9360%0.644%0.442SS*.  trans-92.4109.9166.6-70.2-173.8175.9-175.10107.2R238K236-R238 PolarHBondContact O-N 3.33Å
237R52.9Low60.1Low178 Ų17892.8 Ų92.867%0.67244%0.444SS*.  trans-59.6120.8166.5-72.6-170.5-141-157.37.1108
238R51.7Low60.6Low119 Ų11993.4 Ų93.445%0.44945%0.447SS..  trans-97.7109.6162.4-102.9-175.4165.7-167.1-2.1107.5K236 L240K236-R238 PolarHBondContact O-N 3.33Å; R238-L240 PolarHBondContact O-N 3.03Å
239T46.8Very low61.2Low138 Ų13892.4 Ų92.485%0.84744%0.439SS*.SBendtrans47.2-1.4143.246.60000122.3
240L44.3Very low61.7Low137 Ų13787.8 Ų87.872%0.71742%0.42SS*.SBendtrans-138.9126.9172.6-74.7160.3000108.2R238 D242R238-L240 PolarHBondContact O-N 3.03Å; L240-D242 PolarHBondContact O-N 2.96Å
241K54.6Low62Low202 Ų20286.7 Ų86.788%0.87841%0.405SS*.THydrogen-bonded Turntrans-57.7-11.7-158.5-88.6172.4173.7174.60116.9
242D59.4Low62.5Low148 Ų14890.4 Ų90.479%0.79142%0.418SS*.THydrogen-bonded Turntrans-125.1-0-166.6-56.6-44.9000115.8L240L240-D242 PolarHBondContact O-N 2.96Å
243R68.6Low63.3Low153 Ų15393.6 Ų93.658%0.57743%0.426SS*.  trans-115.3123.2-178.1-64.6178.8-175.5-150.411.5111.7E221E221-R243 VanDerWaalsContact OE1-CD 3.27Å; E221-R243 WeakPolarHBondContact OE1-CD 3.44Å; E221-R243 IonicContact OE1-CZ 2.86Å; E221-R243 VanDerWaalsContact OE1-CZ 3.22Å; E221-R243 IonicContact OE1-NE 2.83Å; E221-R243 PolarHBondContact OE1-NE 3.31Å; E221-R243 IonicContact OE1-NH1 2.7Å; E221-R243 PolarHBondContact OE1-NH1 3.26Å; E221-R243 WeakPolarHBondContact OE2-CD 3.36Å; E221-R243 IonicContact OE2-NH1 3.9Å
244V75Confident63.8Low29 Ų2991.6 Ų91.618%0.17641%0.413CS..  trans-118126.4-176.1-167.40000108.1I218 C220 E221 W235I218-V244 HydrophobicContact CG2-CB 3.62Å; I218-V244 HydrophobicContact CG2-CG1 3.5Å; I218-V244 HydrophobicContact CG2-CG2 3.74Å; C220-V244 WeakPolarHBondContact CA-O 3.39Å; E221-V244 PolarHBondContact N-O 2.98Å; W235-V244 HydrophobicContact CB-CG1 4.06Å; W235-V244 HydrophobicContact CD2-CG1 3.6Å; W235-V244 HydrophobicContact CE3-CB 4.05Å; W235-V244 HydrophobicContact CE3-CG1 3.08Å; W235-V244 HydrophobicContact CG-CG1 4Å; W235-V244 VanDerWaalsContact CZ3-C 3.5Å; W235-V244 HydrophobicContact CZ3-CB 4.18Å; W235-V244 HydrophobicContact CZ3-CG1 3.63Å
245L71.7Confident64.5Low15 Ų1595.1 Ų95.18%0.07943%0.428CS..  trans-120.5129.6-179.2-67.3178.9000112.2E221 D222 W235 C249 N250 R253E221-L245 HydrophobicContact CB-CD2 3.9Å; D222-L245 HydrophobicContact CB-CD2 4.2Å; D222-L245 WeakPolarHBondContact OD2-CD2 3.18Å; W235-L245 VanDerWaalsContact CE3-N 3.34Å; W235-L245 VanDerWaalsContact CZ3-CA 3.48Å; L245-C249 HydrophobicContact CB-CB 4.47Å; L245-C249 HydrophobicContact CD2-CB 4.39Å; L245-N250 HydrophobicContact CB-CB 3.96Å; L245-R253 HydrophobicContact CD1-CG 4.31Å
246C71.1Confident64.7Low12 Ų1298 Ų988%0.08146%0.462CS..BIsolated β-bridgetrans-64.4159.8-176.274.60000108.9C220 I225 W235 Q248 C249 N250C220-C246 HydrophobicContact CB-CB 4.2Å; C220-C246 PolarHBondContact SG-N 2.78Å; I225-C246 HydrophobicContact CG2-CB 4.02Å; W235-C246 HydrophobicContact CE3-CB 4.23Å; W235-C246 HydrophobicContact CH2-CB 3.68Å; W235-C246 HydrophobicContact CZ2-CB 3.96Å; W235-C246 HydrophobicContact CZ3-CB 3.83Å; C246-Q248 PolarHBondContact O-N 3.39Å; C246-C249 PolarHBondContact O-N 3.29Å; C246-C249 VanDerWaalsContact O-N 3.11Å; C246-C249 PolarHBondContact SG-N 2.96Å; C246-C249 PolarHBondContact SG-SG 3.45Å; C246-N250 WeakPolarHBondContact O-CB 3.41Å; C246-N250 PolarHBondContact O-N 3.48Å
247S69.3Low64.2Low64 Ų6499.4 Ų99.445%0.44847%0.471SS..Hα-helixtrans-50.6-36.5-177.860.40000113K234 R251K234-S247 WeakPolarHBondContact O-CB 3.35Å; K234-S247 PolarHBondContact O-N 2.96Å; S247-R251 WeakPolarHBondContact O-CB 3.43Å; S247-R251 PolarHBondContact O-N 3.37Å; S247-R251 VanDerWaalsContact O-N 3.08Å
248Q69.6Low64.8Low35 Ų3595.5 Ų95.516%0.16446%0.461CS..Hα-helixtrans-71.1-56.4175.7-65.5-170.216.900112.1C246 N250 R251 R252C246-Q248 PolarHBondContact O-N 3.39Å; Q248-N250 VanDerWaalsContact C-N 3.27Å; Q248-N250 PolarHBondContact O-N 2.94Å; Q248-R251 CarbonylContact O-C 3.53Å; Q248-R251 WeakPolarHBondContact O-CA 3.41Å; Q248-R251 VanDerWaalsContact O-CB 3.29Å; Q248-R251 WeakPolarHBondContact O-CB 3.46Å; Q248-R251 PolarHBondContact O-N 2.86Å; Q248-R252 WeakPolarHBondContact O-CG 3.45Å; Q248-R252 PolarHBondContact O-N 3.08Å
249C75.2Confident65.5Low10 Ų1094.3 Ų94.37%0.06846%0.461CS..Hα-helixtrans-58.3-38.8179.8-69.90000112.4C220 D222 C223 L245 C246 R251 R252 R253C220-C249 VanDerWaalsContact SG-SG 3.65Å; D222-C249 HydrophobicContact CB-CB 3.76Å; D222-C249 VanDerWaalsContact CB-SG 3.51Å; D222-C249 WeakPolarHBondContact OD2-CB 3.28Å; C223-C249 VanDerWaalsContact SG-SG 3.63Å; L245-C249 HydrophobicContact CB-CB 4.47Å; L245-C249 HydrophobicContact CD2-CB 4.39Å; C246-C249 PolarHBondContact O-N 3.29Å; C246-C249 VanDerWaalsContact O-N 3.11Å; C246-C249 PolarHBondContact SG-N 2.96Å; C246-C249 PolarHBondContact SG-SG 3.45Å; C249-R251 VanDerWaalsContact C-N 3.33Å; C249-R251 PolarHBondContact O-N 3.31Å; C249-R252 PolarHBondContact O-N 3.47Å; C249-R253 WeakPolarHBondContact O-CB 3.32Å; C249-R253 WeakPolarHBondContact O-CG 3.49Å; C249-R253 PolarHBondContact O-N 2.97Å
250N74.9Confident66.5Low9 Ų991.8 Ų91.85%0.04844%0.44CS..Hα-helixtrans-66.2-33.4172.1177.847.4000112.6L245 C246 Q248 R254L245-N250 HydrophobicContact CB-CB 3.96Å; C246-N250 WeakPolarHBondContact O-CB 3.41Å; C246-N250 PolarHBondContact O-N 3.48Å; Q248-N250 VanDerWaalsContact C-N 3.27Å; Q248-N250 PolarHBondContact O-N 2.94Å; N250-R254 VanDerWaalsContact O-CB 3.29Å; N250-R254 WeakPolarHBondContact O-CB 3.42Å; N250-R254 VanDerWaalsContact O-CG 3.27Å; N250-R254 WeakPolarHBondContact O-CG 3.42Å; N250-R254 PolarHBondContact O-N 3.42Å; N250-R254 VanDerWaalsContact O-N 3.12Å; N250-R254 PolarHBondContact OD1-NE 3.38Å
251R67.6Low67.8Low122 Ų12289.2 Ų89.246%0.4642%0.424SS..Hα-helixtrans-67-48.6171.6-169.9-173.5-68-169.22.5110.5S247 Q248 C249 R253 R254 F255S247-R251 WeakPolarHBondContact O-CB 3.43Å; S247-R251 PolarHBondContact O-N 3.37Å; S247-R251 VanDerWaalsContact O-N 3.08Å; Q248-R251 CarbonylContact O-C 3.53Å; Q248-R251 WeakPolarHBondContact O-CA 3.41Å; Q248-R251 VanDerWaalsContact O-CB 3.29Å; Q248-R251 WeakPolarHBondContact O-CB 3.46Å; Q248-R251 PolarHBondContact O-N 2.86Å; C249-R251 VanDerWaalsContact C-N 3.33Å; C249-R251 PolarHBondContact O-N 3.31Å; R251-R253 PolarHBondContact O-N 3.1Å; R251-R254 PolarHBondContact O-N 2.87Å; R251-F255 HydrophobicContact CB-CD2 4.41Å; R251-F255 HydrophobicContact CG-CD2 3.56Å; R251-F255 HydrophobicContact CG-CE2 4.15Å; R251-F255 WeakPolarHBondContact O-CD2 3.34Å; R251-F255 PolarHBondContact O-N 2.97Å
252R73.2Confident68.6Low100 Ų10082.1 Ų82.138%0.37740%0.395SS..Hα-helixtrans-53.9-51.7176.2-59.8-163.2149.6177.7-16.4111.8Q248 C249 R254 F255 G256 E257Q248-R252 WeakPolarHBondContact O-CG 3.45Å; Q248-R252 PolarHBondContact O-N 3.08Å; C249-R252 PolarHBondContact O-N 3.47Å; R252-R254 VanDerWaalsContact C-N 3.25Å; R252-R254 PolarHBondContact O-N 3.15Å; R252-F255 PolarHBondContact O-N 3.17Å; R252-G256 WeakPolarHBondContact O-CA 3.35Å; R252-G256 PolarHBondContact O-N 3.42Å; R252-E257 VanDerWaalsContact CB-O 3.31Å; R252-E257 WeakPolarHBondContact CB-O 3.48Å; R252-E257 WeakPolarHBondContact CD-O 3.49Å; R252-E257 WeakPolarHBondContact CG-O 3.47Å; R252-E257 PolarHBondContact NE-O 3.03Å
253R75.5Confident69.2Low121 Ų12177.7 Ų77.746%0.45737%0.369SS..Hα-helixtrans-64-25.2177-70-153.8-168.3177.52.8113.9E221 D222 L245 C249 R251E221-R253 IonicContact OE2-CZ 3.76Å; E221-R253 IonicContact OE2-NH1 3.7Å; E221-R253 IonicContact OE2-NH2 3.75Å; E221-R253 PolarHBondContact OE2-NH2 3.05Å; D222-R253 IonicContact OD1-CZ 3.25Å; D222-R253 VanDerWaalsContact OD1-CZ 3.25Å; D222-R253 IonicContact OD1-NE 3.14Å; D222-R253 PolarHBondContact OD1-NE 3.46Å; D222-R253 VanDerWaalsContact OD1-NE 3.14Å; D222-R253 IonicContact OD1-NH2 2.94Å; D222-R253 PolarHBondContact OD1-NH2 2.91Å; D222-R253 IonicContact OD2-CZ 3.67Å; D222-R253 IonicContact OD2-NE 2.89Å; D222-R253 PolarHBondContact OD2-NE 3.38Å; D222-R253 IonicContact OD2-NH2 3.33Å; L245-R253 HydrophobicContact CD1-CG 4.31Å; C249-R253 WeakPolarHBondContact O-CB 3.32Å; C249-R253 WeakPolarHBondContact O-CG 3.49Å; C249-R253 PolarHBondContact O-N 2.97Å; R251-R253 PolarHBondContact O-N 3.1Å
254R70Confident69.3Low106 Ų10672.4 Ų72.440%0.435%0.354SS..Hα-helixtrans-88.9-34.7179.6-82.7-174.4-177.1-130.41.5113.8N250 R251 R252N250-R254 VanDerWaalsContact O-CB 3.29Å; N250-R254 WeakPolarHBondContact O-CB 3.42Å; N250-R254 VanDerWaalsContact O-CG 3.27Å; N250-R254 WeakPolarHBondContact O-CG 3.42Å; N250-R254 PolarHBondContact O-N 3.42Å; N250-R254 VanDerWaalsContact O-N 3.12Å; N250-R254 PolarHBondContact OD1-NE 3.38Å; R251-R254 PolarHBondContact O-N 2.87Å; R252-R254 VanDerWaalsContact C-N 3.25Å; R252-R254 PolarHBondContact O-N 3.15Å
255F72.9Confident68.8Low148 Ų14875.7 Ų75.765%0.64937%0.368SS*.Hα-helixtrans-122.5-5.5-166.8-60.6-74.5000113.8R251 R252 E257R251-F255 HydrophobicContact CB-CD2 4.41Å; R251-F255 HydrophobicContact CG-CD2 3.56Å; R251-F255 HydrophobicContact CG-CE2 4.15Å; R251-F255 WeakPolarHBondContact O-CD2 3.34Å; R251-F255 PolarHBondContact O-N 2.97Å; R252-F255 PolarHBondContact O-N 3.17Å; F255-E257 PolarHBondContact O-N 3.2Å
256G58.7Low68.6Low74 Ų7480.8 Ų80.876%0.76339%0.392SS*.  trans72.422.3176.100000115.2R252R252-G256 WeakPolarHBondContact O-CA 3.35Å; R252-G256 PolarHBondContact O-N 3.42Å
257E45.2Very low68.4Low168 Ų16887 Ų8779%0.78542%0.42SS*.  trans-94.30176.4-65.2-178.4152.300114R252 F255R252-E257 VanDerWaalsContact CB-O 3.31Å; R252-E257 WeakPolarHBondContact CB-O 3.48Å; R252-E257 WeakPolarHBondContact CD-O 3.49Å; R252-E257 WeakPolarHBondContact CG-O 3.47Å; R252-E257 PolarHBondContact NE-O 3.03Å; F255-E257 PolarHBondContact O-N 3.2Å

Retrieved 257 of 257 residues in 328.1 ms (Link to these results)

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