A0A5K4F4J4_SCHMA Loading...

Twinfilin AlphaSync

Actin-binding protein involved in motile and morphological processes. Inhibits actin polymerization, likely by sequestering G-actin.

AlphaFold DB , UniProt , Accession A0A5K4F4J4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 303 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
1M44Very low77.6Confident246 Ų24692.4 Ų92.4100%1.21252%0.52SS*.  0115.50-77.6-173.9-82.500107.6
2T61.3Low78.6Confident114 Ų11497.2 Ų97.270%0.69953%0.526SS*.  trans-77.1150.4173.747.30000109.4Q4T2-Q4 PolarHBondContact O-N 3.11Å
3L70.3Confident79.3Confident149 Ų14991.2 Ų91.278%0.7849%0.492SS*.  trans-64.6104.4178.9-170.378.3000109.5A103L3-A103 WeakPolarHBondContact O-CB 3.36Å
4Q78.4Confident79.8Confident113 Ų11387.6 Ų87.653%0.52848%0.481SS..  trans-97.4142.1175.7-70.6-170-30.500110.5T2 G6T2-Q4 PolarHBondContact O-N 3.11Å; Q4-G6 VanDerWaalsContact C-N 3.31Å; Q4-G6 PolarHBondContact O-N 3.06Å
5S82.6Confident80.3Confident45 Ų4586 Ų8632%0.31548%0.479SS..  trans-72.7-20.8178.958.60000114.1I7 A103 T104S5-I7 PolarHBondContact O-N 3.15Å; S5-I7 WeakPolarHBondContact OG-CB 3.34Å; S5-I7 PolarHBondContact OG-N 3.41Å; S5-A103 PolarHBondContact N-O 3.21Å; S5-T104 WeakPolarHBondContact CB-OG1 3.4Å; S5-T104 WeakPolarHBondContact OG-CB 3.45Å; S5-T104 PolarHBondContact OG-OG1 2.92Å
6G85.6Confident80.9Confident49 Ų4984.6 Ų84.651%0.50547%0.466SS..  trans75.26.2-169.500000114.3Q4 H8Q4-G6 VanDerWaalsContact C-N 3.31Å; Q4-G6 PolarHBondContact O-N 3.06Å; G6-H8 PolarHBondContact O-CD2 3.24Å
7I88.5Confident81.2Confident13 Ų1379.9 Ų79.97%0.06744%0.44CS..  trans-78.7129.1177.6-66.5172.7000109.7S5 I32 E35 I37 I100 T104 T107S5-I7 PolarHBondContact O-N 3.15Å; S5-I7 WeakPolarHBondContact OG-CB 3.34Å; S5-I7 PolarHBondContact OG-N 3.41Å; I7-I32 HydrophobicContact CD1-CG2 3.9Å; I7-I32 HydrophobicContact CG2-CG2 4.35Å; I7-E35 HydrophobicContact CD1-CB 4.38Å; I7-E35 HydrophobicContact CG1-CB 4.25Å; I7-E35 WeakPolarHBondContact CG2-O 3.29Å; I7-I37 HydrophobicContact CG2-CD1 4.46Å; I7-I37 HydrophobicContact CG2-CG1 3.95Å; I7-I100 HydrophobicContact CD1-CG2 3.63Å; I7-T104 HydrophobicContact CB-CG2 3.8Å; I7-T104 HydrophobicContact CG2-CG2 3.84Å; I7-T107 VanDerWaalsContact O-CG2 3.28Å; I7-T107 WeakPolarHBondContact O-CG2 3.4Å
8H86.1Confident81.5Confident100 Ų10078.1 Ų78.146%0.46344%0.438SS..EExtended strand (participates in β ladder)trans-129.2152.6-178.5-68-75.1000111.1G6 T107G6-H8 PolarHBondContact O-CD2 3.24Å; H8-T107 WeakPolarHBondContact ND1-CG2 3.48Å
9A83.6Confident81.7Confident11 Ų1178.3 Ų78.39%0.09144%0.438CS..EExtended strand (participates in β ladder)trans-66.4134.9163.400000109.8E13 I37A9-E13 HydrophobicContact CB-CB 4.24Å; A9-I37 HydrophobicContact CB-CB 4.05Å; A9-I37 HydrophobicContact CB-CG2 4.42Å
10D85.7Confident81.9Confident74 Ų7474.7 Ų74.740%0.39642%0.417SS..  trans-63.7152.4169.8-165.646.2000109.8Y12 E13 A14D10-Y12 PolarHBondContact O-N 2.96Å; D10-E13 PolarHBondContact O-N 3.05Å; D10-A14 PolarHBondContact O-N 3.39Å
11P87.6Confident81.9Confident102 Ų10273.8 Ų73.866%0.66241%0.409SS*.Hα-helixtrans-53.9-31.1-179.3-28.737.7000113.6S15P11-S15 WeakPolarHBondContact O-CB 3.13Å; P11-S15 PolarHBondContact O-N 2.85Å
12Y89.5Confident83.4Confident150 Ų15066.7 Ų66.759%0.58838%0.384SS*.Hα-helixtrans-64.4-46.2174.3-177.9-117.3000113D10 S15 K16D10-Y12 PolarHBondContact O-N 2.96Å; Y12-S15 PolarHBondContact O-N 3.42Å; Y12-K16 HydrophobicContact CE1-CD 4.37Å; Y12-K16 PolarHBondContact O-N 2.94Å; Y12-K16 VanDerWaalsContact O-N 3.13Å; Y12-K16 WeakPolarHBondContact OH-CE 3.46Å
13E88Confident84.1Confident20 Ų2065.2 Ų65.29%0.09337%0.371CS..Hα-helixtrans-70.7-35.8176.9-67.6-61.1133.900111.2A9 D10 S15 K16 L17 L39A9-E13 HydrophobicContact CB-CB 4.24Å; D10-E13 PolarHBondContact O-N 3.05Å; E13-S15 VanDerWaalsContact C-N 3.34Å; E13-S15 PolarHBondContact O-N 2.81Å; E13-K16 PolarHBondContact O-N 2.95Å; E13-K16 IonicContact OE1-NZ 3.48Å; E13-K16 PolarHBondContact OE1-NZ 3.15Å; E13-K16 IonicContact OE2-NZ 2.63Å; E13-L17 VanDerWaalsContact O-CG 3.3Å; E13-L17 WeakPolarHBondContact O-CG 3.42Å; E13-L17 PolarHBondContact O-N 3.26Å; E13-L39 WeakPolarHBondContact OE2-CB 3.4Å; E13-L39 PolarHBondContact OE2-N 2.78Å
14A86.1Confident84.8Confident41 Ų4161.9 Ų61.934%0.33936%0.36SS..Hα-helixtrans-61.5-41.3173.400000112.1D10 L17 A18D10-A14 PolarHBondContact O-N 3.39Å; A14-L17 PolarHBondContact O-N 2.85Å; A14-A18 PolarHBondContact O-N 3.3Å
15S87.9Confident85.4Confident63 Ų6358.4 Ų58.444%0.44134%0.343SS..Hα-helixtrans-62.4-46.9174.5-168.10000111.4P11 Y12 E13 L17 A18 D19P11-S15 WeakPolarHBondContact O-CB 3.13Å; P11-S15 PolarHBondContact O-N 2.85Å; Y12-S15 PolarHBondContact O-N 3.42Å; E13-S15 VanDerWaalsContact C-N 3.34Å; E13-S15 PolarHBondContact O-N 2.81Å; S15-L17 VanDerWaalsContact C-N 3.3Å; S15-L17 PolarHBondContact O-N 3.12Å; S15-A18 WeakPolarHBondContact O-CB 3.48Å; S15-A18 PolarHBondContact O-N 2.72Å; S15-A18 VanDerWaalsContact O-N 3.11Å; S15-D19 VanDerWaalsContact O-CG 3.3Å; S15-D19 PolarHBondContact O-N 2.99Å
16K88.8Confident86Confident63 Ų6356.4 Ų56.427%0.27433%0.328SS..Hα-helixtrans-58.8-42176-71.9178-177.5167.60112.3Y12 E13 A18 D19 C20 L39Y12-K16 HydrophobicContact CE1-CD 4.37Å; Y12-K16 PolarHBondContact O-N 2.94Å; Y12-K16 VanDerWaalsContact O-N 3.13Å; Y12-K16 WeakPolarHBondContact OH-CE 3.46Å; E13-K16 PolarHBondContact O-N 2.95Å; E13-K16 IonicContact OE1-NZ 3.48Å; E13-K16 PolarHBondContact OE1-NZ 3.15Å; E13-K16 IonicContact OE2-NZ 2.63Å; K16-A18 VanDerWaalsContact C-N 3.32Å; K16-D19 PolarHBondContact O-N 3.1Å; K16-C20 WeakPolarHBondContact O-CB 3.39Å; K16-C20 PolarHBondContact O-N 3.34Å; K16-C20 PolarHBondContact O-SG 3.04Å; K16-C20 VanDerWaalsContact O-SG 3.33Å; K16-L39 HydrophobicContact CB-CD2 4.42Å
17L87.2Confident86.4Confident5 Ų554.1 Ų54.13%0.02630%0.304CS..Hα-helixtrans-65-37.2177.2-71.2172.3000111.4E13 A14 S15 C20 K21 L28 L30 L39E13-L17 VanDerWaalsContact O-CG 3.3Å; E13-L17 WeakPolarHBondContact O-CG 3.42Å; E13-L17 PolarHBondContact O-N 3.26Å; A14-L17 PolarHBondContact O-N 2.85Å; S15-L17 VanDerWaalsContact C-N 3.3Å; S15-L17 PolarHBondContact O-N 3.12Å; L17-C20 PolarHBondContact O-N 3.21Å; L17-K21 WeakPolarHBondContact O-CG 3.47Å; L17-K21 PolarHBondContact O-N 3.45Å; L17-L28 HydrophobicContact CD2-CD1 4.44Å; L17-L30 HydrophobicContact CD1-CD2 3.85Å; L17-L30 HydrophobicContact CD2-CD1 4.17Å; L17-L30 HydrophobicContact CD2-CD2 3.83Å; L17-L30 HydrophobicContact CD2-CG 4.17Å; L17-L30 HydrophobicContact CG-CD2 4.48Å; L17-L39 HydrophobicContact CD2-CD1 4.2Å
18A86Confident86.7Confident48 Ų4853.5 Ų53.540%0.39730%0.301SS..Hα-helixtrans-65-45.9173.800000111.7A14 S15 K16 C20 K21 S22A14-A18 PolarHBondContact O-N 3.3Å; S15-A18 WeakPolarHBondContact O-CB 3.48Å; S15-A18 PolarHBondContact O-N 2.72Å; S15-A18 VanDerWaalsContact O-N 3.11Å; K16-A18 VanDerWaalsContact C-N 3.32Å; A18-C20 VanDerWaalsContact C-N 3.28Å; A18-C20 PolarHBondContact O-N 3.28Å; A18-K21 WeakPolarHBondContact O-CB 3.28Å; A18-K21 PolarHBondContact O-N 3.12Å; A18-S22 PolarHBondContact O-N 3.39Å
19D86.2Confident87.1Confident82 Ų8249 Ų4944%0.43928%0.28SS..Hα-helixtrans-58.8-42.9176.1-63.9-23.4000110.8S15 K16 K21 S22 L23S15-D19 VanDerWaalsContact O-CG 3.3Å; S15-D19 PolarHBondContact O-N 2.99Å; K16-D19 PolarHBondContact O-N 3.1Å; D19-K21 PolarHBondContact O-N 3.07Å; D19-S22 PolarHBondContact O-N 2.96Å; D19-S22 PolarHBondContact O-OG 3.14Å; D19-L23 HydrophobicContact CB-CD1 4.5Å; D19-L23 WeakPolarHBondContact O-CG 3.32Å; D19-L23 PolarHBondContact O-N 3.27Å
20C84.5Confident87.6Confident5 Ų548.6 Ų48.63%0.03428%0.276CS..Hα-helixtrans-62.6-22.9177.8-78.50000114.3K16 L17 A18 Y25 L28K16-C20 WeakPolarHBondContact O-CB 3.39Å; K16-C20 PolarHBondContact O-N 3.34Å; K16-C20 PolarHBondContact O-SG 3.04Å; K16-C20 VanDerWaalsContact O-SG 3.33Å; L17-C20 PolarHBondContact O-N 3.21Å; A18-C20 VanDerWaalsContact C-N 3.28Å; A18-C20 PolarHBondContact O-N 3.28Å; C20-Y25 HydrophobicContact CB-CD2 4.02Å; C20-Y25 HydrophobicContact CB-CE2 4.49Å; C20-L28 HydrophobicContact CB-CD1 3.69Å; C20-L28 HydrophobicContact CB-CD2 3.76Å; C20-L28 HydrophobicContact CB-CG 4.38Å
21K82Confident88Confident56 Ų5646.9 Ų46.924%0.24327%0.267CS..Hα-helixtrans-75.4-34.7173.7-65166.7-158173.60112L17 A18 D19 F112 L116L17-K21 WeakPolarHBondContact O-CG 3.47Å; L17-K21 PolarHBondContact O-N 3.45Å; A18-K21 WeakPolarHBondContact O-CB 3.28Å; A18-K21 PolarHBondContact O-N 3.12Å; D19-K21 PolarHBondContact O-N 3.07Å; K21-F112 WeakPolarHBondContact CE-O 3.49Å; K21-F112 HydrophobicContact CG-CE2 4.06Å; K21-F112 HydrophobicContact CG-CZ 3.96Å; K21-F112 PolarHBondContact NZ-O 3.29Å; K21-L116 HydrophobicContact CD-CD1 4.02Å
22S75.8Confident88.3Confident98 Ų9843.3 Ų43.369%0.68524%0.242SC*.Hα-helixtrans-77.2-29.4178.572.20000112.8A18 D19A18-S22 PolarHBondContact O-N 3.39Å; D19-S22 PolarHBondContact O-N 2.96Å; D19-S22 PolarHBondContact O-OG 3.14Å
23L76.6Confident88.4Confident83 Ų8340 Ų4044%0.43524%0.235SC..THydrogen-bonded Turntrans-88.5153.6-178.5-65.8168.2000111.5D19 Y25D19-L23 HydrophobicContact CB-CD1 4.5Å; D19-L23 WeakPolarHBondContact O-CG 3.32Å; D19-L23 PolarHBondContact O-N 3.27Å; L23-Y25 HydrophobicContact CB-CD2 3.69Å; L23-Y25 HydrophobicContact CB-CE2 3.57Å; L23-Y25 HydrophobicContact CD1-CE2 3.68Å; L23-Y25 HydrophobicContact CG-CE2 4.28Å; L23-Y25 PolarHBondContact O-N 2.92Å
24S83.7Confident88.4Confident78 Ų7847.7 Ų47.755%0.54527%0.268SS..THydrogen-bonded Turntrans-74.753.9-179-61.20000113.8S45S24-S45 PolarHBondContact O-N 3.47Å; S24-S45 PolarHBondContact O-OG 2.76Å
25Y91.9Very high88.5Confident41 Ų4152.4 Ų52.416%0.16128%0.283CS..EExtended strand (participates in β ladder)trans-84.8135.6170.3-65.6-65.7000110.8C20 L23 L28 K42 I43 R72C20-Y25 HydrophobicContact CB-CD2 4.02Å; C20-Y25 HydrophobicContact CB-CE2 4.49Å; L23-Y25 HydrophobicContact CB-CD2 3.69Å; L23-Y25 HydrophobicContact CB-CE2 3.57Å; L23-Y25 HydrophobicContact CD1-CE2 3.68Å; L23-Y25 HydrophobicContact CG-CE2 4.28Å; L23-Y25 PolarHBondContact O-N 2.92Å; Y25-L28 HydrophobicContact CG-CD2 4.39Å; Y25-K42 HydrophobicContact CD1-CB 4.05Å; Y25-K42 HydrophobicContact CD1-CD 4.38Å; Y25-K42 HydrophobicContact CD1-CG 4.25Å; Y25-K42 HydrophobicContact CE1-CB 4.2Å; Y25-K42 HydrophobicContact CE1-CD 3.73Å; Y25-K42 HydrophobicContact CE1-CG 3.89Å; Y25-K42 HydrophobicContact CE2-CD 4.13Å; Y25-K42 HydrophobicContact CG-CB 4.46Å; Y25-K42 WeakPolarHBondContact OH-CE 3.41Å; Y25-K42 PolarHBondContact OH-NZ 3.49Å; Y25-I43 CarbonylContact C-O 3.53Å; Y25-R72 WeakPolarHBondContact O-CD 3.38Å; Y25-R72 PolarHBondContact O-NE 2.79Å; Y25-R72 VanDerWaalsContact O-NE 3.12Å
26R94.3Very high88.6Confident3 Ų354.5 Ų54.51%0.01128%0.284CS..EExtended strand (participates in β ladder)trans-81.3-38.3174.3179.660.873.3-163.43.8111.8I43 G47 W49 D52 V56 Y71 R72 D74R26-I43 PolarHBondContact N-O 2.93Å; R26-G47 PolarHBondContact NH2-O 3.24Å; R26-W49 VanDerWaalsContact NH1-CB 3.33Å; R26-D52 HydrophobicContact CG-CB 3.92Å; R26-D52 IonicContact CZ-OD2 4Å; R26-D52 IonicContact NE-OD2 3.52Å; R26-D52 PolarHBondContact NE-OD2 2.73Å; R26-D52 IonicContact NH2-OD2 3.9Å; R26-V56 HydrophobicContact CG-CG2 4.13Å; R26-Y71 VanDerWaalsContact CD-CZ 3.45Å; R26-Y71 WeakPolarHBondContact CD-OH 3.37Å; R26-Y71 HydrophobicContact CG-CD2 4.29Å; R26-Y71 HydrophobicContact CG-CE2 3.59Å; R26-Y71 CarbonylContact O-C 3.58Å; R26-Y71 WeakPolarHBondContact O-CA 3.45Å; R26-R72 WeakPolarHBondContact CD-O 3.4Å; R26-R72 PolarHBondContact NH1-O 2.79Å; R26-R72 PolarHBondContact O-N 3.42Å; R26-D74 IonicContact CZ-OD1 2.82Å; R26-D74 VanDerWaalsContact CZ-OD1 3.26Å; R26-D74 IonicContact NH1-OD1 2.75Å; R26-D74 PolarHBondContact NH1-OD1 2.82Å; R26-D74 IonicContact NH2-OD1 2.98Å; R26-D74 PolarHBondContact NH2-OD1 2.9Å; R26-D74 IonicContact NH2-OD2 3.78Å
27A94.3Very high88.8Confident0 Ų051.6 Ų51.60%027%0.271CS..EExtended strand (participates in β ladder)trans-150.3152.8179.900000114K42 I43 V56 L60 V69 F70 Y71A27-K42 WeakPolarHBondContact O-CA 3.28Å; A27-I43 PolarHBondContact N-O 3.2Å; A27-I43 PolarHBondContact O-N 3.23Å; A27-V56 HydrophobicContact CB-CG1 3.38Å; A27-L60 HydrophobicContact CB-CD1 3.65Å; A27-V69 HydrophobicContact CB-CG1 4.48Å; A27-F70 CarbonylContact C-O 3.47Å; A27-F70 WeakPolarHBondContact CA-O 3.41Å; A27-Y71 HydrophobicContact CB-CD2 3.91Å
28L94.6Very high89.1Confident0 Ų053.3 Ų53.30%028%0.282CS..EExtended strand (participates in β ladder)trans-131128.5179.9-52.8173.4000108.5L17 C20 Y25 L30 L39 M41 K42 V69 F70 W83 F112L17-L28 HydrophobicContact CD2-CD1 4.44Å; C20-L28 HydrophobicContact CB-CD1 3.69Å; C20-L28 HydrophobicContact CB-CD2 3.76Å; C20-L28 HydrophobicContact CB-CG 4.38Å; Y25-L28 HydrophobicContact CG-CD2 4.39Å; L28-L30 HydrophobicContact CB-CD1 4.07Å; L28-L39 HydrophobicContact CB-CD1 3.86Å; L28-L39 HydrophobicContact CD2-CD1 4.25Å; L28-M41 WeakPolarHBondContact CA-O 3.45Å; L28-K42 HydrophobicContact CD2-CB 3.82Å; L28-V69 CarbonylContact O-C 3.55Å; L28-V69 VanDerWaalsContact O-CA 3.28Å; L28-V69 WeakPolarHBondContact O-CA 3.44Å; L28-F70 HydrophobicContact CB-CB 4.37Å; L28-F70 PolarHBondContact N-O 3.25Å; L28-F70 PolarHBondContact O-N 3.28Å; L28-W83 HydrophobicContact CD1-CH2 4.28Å; L28-W83 HydrophobicContact CD1-CZ3 4.24Å; L28-W83 HydrophobicContact CG-CZ3 4.35Å; L28-F112 HydrophobicContact CD1-CE2 3.89Å
29K95Very high89.5Confident7 Ų752.2 Ų52.23%0.0327%0.269CS..EExtended strand (participates in β ladder)trans-106121.9173.5175.5179.1-178.6176.40109.7L40 M41 L60 D62 C67 Y68K29-L40 HydrophobicContact CD-CD2 3.98Å; K29-L40 HydrophobicContact CG-CB 4.45Å; K29-L40 HydrophobicContact CG-CD2 4.48Å; K29-L40 PolarHBondContact O-N 2.75Å; K29-M41 HydrophobicContact CB-CB 4.17Å; K29-M41 PolarHBondContact N-O 3.38Å; K29-M41 PolarHBondContact O-N 2.96Å; K29-L60 HydrophobicContact CB-CD1 4.49Å; K29-L60 HydrophobicContact CB-CD2 3.84Å; K29-L60 HydrophobicContact CD-CB 4.38Å; K29-L60 HydrophobicContact CD-CD2 4.22Å; K29-L60 VanDerWaalsContact CD-O 3.29Å; K29-L60 WeakPolarHBondContact CD-O 3.44Å; K29-L60 WeakPolarHBondContact CE-O 3.44Å; K29-L60 PolarHBondContact NZ-O 3.12Å; K29-D62 IonicContact NZ-OD2 2.64Å; K29-D62 PolarHBondContact NZ-OD2 3.03Å; K29-C67 HydrophobicContact CG-CB 4.11Å; K29-Y68 CarbonylContact C-O 3.47Å; K29-Y68 WeakPolarHBondContact CA-O 3.49Å
30L94.5Very high89.8Confident1 Ų152.7 Ų52.71%0.00527%0.271CS..EExtended strand (participates in β ladder)trans-111.8142.6176.1-63.172.8000109.4L17 L28 I37 V38 L39 Y68 F70 V108L17-L30 HydrophobicContact CD1-CD2 3.85Å; L17-L30 HydrophobicContact CD2-CD1 4.17Å; L17-L30 HydrophobicContact CD2-CD2 3.83Å; L17-L30 HydrophobicContact CD2-CG 4.17Å; L17-L30 HydrophobicContact CG-CD2 4.48Å; L28-L30 HydrophobicContact CB-CD1 4.07Å; L30-I37 HydrophobicContact CB-CG2 4.3Å; L30-I37 HydrophobicContact CD2-CG2 3.61Å; L30-I37 HydrophobicContact CG-CG2 4.47Å; L30-V38 VanDerWaalsContact CA-O 3.27Å; L30-V38 WeakPolarHBondContact CA-O 3.43Å; L30-L39 HydrophobicContact CD1-CD1 4.17Å; L30-L39 HydrophobicContact CG-CD1 4.4Å; L30-Y68 PolarHBondContact N-O 3.24Å; L30-Y68 PolarHBondContact O-N 3.09Å; L30-F70 HydrophobicContact CD1-CD2 3.58Å; L30-F70 HydrophobicContact CD1-CE2 3.87Å; L30-F70 HydrophobicContact CD2-CE2 4.06Å; L30-V108 HydrophobicContact CD2-CG1 4.22Å
31I94.6Very high90.2Very high38 Ų3856.3 Ų56.320%0.19529%0.289CS..EExtended strand (participates in β ladder)trans-127.5161.1173.962.9168.8000109.4D33 V38 L40 C67 Y101I31-D33 HydrophobicContact CD1-CB 4.35Å; I31-V38 PolarHBondContact N-O 2.77Å; I31-V38 PolarHBondContact O-N 3.48Å; I31-L40 HydrophobicContact CD1-CB 4.41Å; I31-L40 HydrophobicContact CD1-CD1 4.05Å; I31-L40 HydrophobicContact CD1-CD2 4.24Å; I31-L40 HydrophobicContact CD1-CG 4.47Å; I31-L40 HydrophobicContact CG1-CB 4.24Å; I31-L40 HydrophobicContact CG2-CB 4.35Å; I31-L40 HydrophobicContact CG2-CD2 3.96Å; I31-C67 HydrophobicContact CG2-CB 4.09Å; I31-Y101 WeakPolarHBondContact CA-OH 3.4Å
32I93.3Very high90.7Very high27 Ų2758.9 Ų58.914%0.13830%0.3CS..EExtended strand (participates in β ladder)trans-95.9109167.6-60.3173.3000107.1I7 K36 Y68 I100 Y101 T104I7-I32 HydrophobicContact CD1-CG2 3.9Å; I7-I32 HydrophobicContact CG2-CG2 4.35Å; I32-K36 WeakPolarHBondContact CA-O 3.4Å; I32-Y68 HydrophobicContact CD1-CE2 4.04Å; I32-Y68 HydrophobicContact CG1-CE2 4.17Å; I32-I100 HydrophobicContact CD1-CG2 3.67Å; I32-I100 HydrophobicContact CG2-CG2 4.17Å; I32-Y101 HydrophobicContact CB-CE2 4.09Å; I32-Y101 HydrophobicContact CD1-CD1 4.22Å; I32-Y101 HydrophobicContact CD1-CD2 4.11Å; I32-Y101 HydrophobicContact CD1-CE1 4.25Å; I32-Y101 HydrophobicContact CD1-CE2 4.18Å; I32-Y101 HydrophobicContact CD1-CG 4.15Å; I32-Y101 HydrophobicContact CG1-CE1 4.17Å; I32-Y101 HydrophobicContact CG1-CE2 4.31Å; I32-Y101 PolarHBondContact N-OH 3.49Å; I32-T104 HydrophobicContact CD1-CG2 3.91Å
33D90.9Very high91.5Very high82 Ų8255.2 Ų55.244%0.43927%0.273SS..EExtended strand (participates in β ladder)trans-118.3130.9172.3-177.241.8000109I31 E35 K36 V38I31-D33 HydrophobicContact CD1-CB 4.35Å; D33-E35 VanDerWaalsContact C-N 3.27Å; D33-E35 PolarHBondContact O-N 3.09Å; D33-K36 PolarHBondContact N-O 3.37Å; D33-K36 PolarHBondContact O-N 2.87Å; D33-V38 HydrophobicContact CB-CG2 4.33Å
34K88.9Confident92.3Very high181 Ų18154.7 Ų54.779%0.78727%0.274SS*.THydrogen-bonded Turntrans44.648.9-179.2-58.8177-173.2175.70113.7K36K34-K36 PolarHBondContact O-N 2.92Å
35E86.7Confident92.6Very high140 Ų14052.9 Ų52.965%0.65426%0.261SS*.THydrogen-bonded Turntrans59.826.4179.4-56.4-175.1154.100114.6I7 D33I7-E35 HydrophobicContact CD1-CB 4.38Å; I7-E35 HydrophobicContact CG1-CB 4.25Å; I7-E35 WeakPolarHBondContact CG2-O 3.29Å; D33-E35 VanDerWaalsContact C-N 3.27Å; D33-E35 PolarHBondContact O-N 3.09Å
36K91.4Very high92.4Very high106 Ų10659.2 Ų59.246%0.46129%0.29SS..EExtended strand (participates in β ladder)trans-128.9146.8173.9-64.4-175.8178.7-169.40110.5I32 D33 K34 V38I32-K36 WeakPolarHBondContact CA-O 3.4Å; D33-K36 PolarHBondContact N-O 3.37Å; D33-K36 PolarHBondContact O-N 2.87Å; K34-K36 PolarHBondContact O-N 2.92Å; K36-V38 HydrophobicContact CB-CG2 4.44Å
37I93.3Very high92.1Very high2 Ų260.9 Ų60.91%0.0131%0.308CS..EExtended strand (participates in β ladder)trans-80.5122.4172-62.9158.7000107.9I7 A9 L30 T104 V108I7-I37 HydrophobicContact CG2-CD1 4.46Å; I7-I37 HydrophobicContact CG2-CG1 3.95Å; A9-I37 HydrophobicContact CB-CB 4.05Å; A9-I37 HydrophobicContact CB-CG2 4.42Å; L30-I37 HydrophobicContact CB-CG2 4.3Å; L30-I37 HydrophobicContact CD2-CG2 3.61Å; L30-I37 HydrophobicContact CG-CG2 4.47Å; I37-T104 HydrophobicContact CD1-CG2 4Å; I37-T104 HydrophobicContact CG1-CG2 4.2Å; I37-V108 HydrophobicContact CD1-CG2 3.5Å; I37-V108 HydrophobicContact CG1-CG2 4.01Å
38V93.3Very high92.1Very high41 Ų4162.9 Ų62.925%0.24832%0.322CS..EExtended strand (participates in β ladder)trans-126.7135.6-176.6-1770000110.3L30 I31 D33 K36 L40L30-V38 VanDerWaalsContact CA-O 3.27Å; L30-V38 WeakPolarHBondContact CA-O 3.43Å; I31-V38 PolarHBondContact N-O 2.77Å; I31-V38 PolarHBondContact O-N 3.48Å; D33-V38 HydrophobicContact CB-CG2 4.33Å; K36-V38 HydrophobicContact CB-CG2 4.44Å; V38-L40 PolarHBondContact O-N 3.35Å
39L93.2Very high92.1Very high26 Ų2665.2 Ų65.214%0.13633%0.331CS..EExtended strand (participates in β ladder)trans-77.4109.5171.3179.667.2000110.1E13 K16 L17 L28 L30E13-L39 WeakPolarHBondContact OE2-CB 3.4Å; E13-L39 PolarHBondContact OE2-N 2.78Å; K16-L39 HydrophobicContact CB-CD2 4.42Å; L17-L39 HydrophobicContact CD2-CD1 4.2Å; L28-L39 HydrophobicContact CB-CD1 3.86Å; L28-L39 HydrophobicContact CD2-CD1 4.25Å; L30-L39 HydrophobicContact CD1-CD1 4.17Å; L30-L39 HydrophobicContact CG-CD1 4.4Å
40L92.7Very high92Very high92 Ų9268 Ų6848%0.48234%0.344SS..EExtended strand (participates in β ladder)trans-86-45.4-177.8-175.568000112.8K29 I31 V38K29-L40 HydrophobicContact CD-CD2 3.98Å; K29-L40 HydrophobicContact CG-CB 4.45Å; K29-L40 HydrophobicContact CG-CD2 4.48Å; K29-L40 PolarHBondContact O-N 2.75Å; I31-L40 HydrophobicContact CD1-CB 4.41Å; I31-L40 HydrophobicContact CD1-CD1 4.05Å; I31-L40 HydrophobicContact CD1-CD2 4.24Å; I31-L40 HydrophobicContact CD1-CG 4.47Å; I31-L40 HydrophobicContact CG1-CB 4.24Å; I31-L40 HydrophobicContact CG2-CB 4.35Å; I31-L40 HydrophobicContact CG2-CD2 3.96Å; V38-L40 PolarHBondContact O-N 3.35Å
41M92.6Very high92Very high80 Ų8073.7 Ų73.739%0.39437%0.374SS..EExtended strand (participates in β ladder)trans-144.3146.4-174.1-168.7177.9-67.700111.3L28 K29 I43 L60L28-M41 WeakPolarHBondContact CA-O 3.45Å; K29-M41 HydrophobicContact CB-CB 4.17Å; K29-M41 PolarHBondContact N-O 3.38Å; K29-M41 PolarHBondContact O-N 2.96Å; M41-I43 HydrophobicContact SD-CD1 4.47Å; M41-L60 HydrophobicContact CB-CD2 4.09Å; M41-L60 HydrophobicContact CG-CD2 4.02Å; M41-L60 HydrophobicContact SD-CD2 3.58Å; M41-L60 VanDerWaalsContact SD-CD2 3.58Å
42K93.2Very high91.9Very high110 Ų11072.6 Ų72.648%0.47837%0.369SS..EExtended strand (participates in β ladder)trans-131.8137.1173.862.2-170.1-176.4171.40109.8Y25 A27 L28Y25-K42 HydrophobicContact CD1-CB 4.05Å; Y25-K42 HydrophobicContact CD1-CD 4.38Å; Y25-K42 HydrophobicContact CD1-CG 4.25Å; Y25-K42 HydrophobicContact CE1-CB 4.2Å; Y25-K42 HydrophobicContact CE1-CD 3.73Å; Y25-K42 HydrophobicContact CE1-CG 3.89Å; Y25-K42 HydrophobicContact CE2-CD 4.13Å; Y25-K42 HydrophobicContact CG-CB 4.46Å; Y25-K42 WeakPolarHBondContact OH-CE 3.41Å; Y25-K42 PolarHBondContact OH-NZ 3.49Å; A27-K42 WeakPolarHBondContact O-CA 3.28Å; L28-K42 HydrophobicContact CD2-CB 3.82Å
43I93.5Very high91.9Very high22 Ų2271.3 Ų71.311%0.11336%0.362CS..EExtended strand (participates in β ladder)trans-121.2123.4-179.7-62.7170.7000108.5Y25 R26 A27 M41 V56 K59 L60Y25-I43 CarbonylContact C-O 3.53Å; R26-I43 PolarHBondContact N-O 2.93Å; A27-I43 PolarHBondContact N-O 3.2Å; A27-I43 PolarHBondContact O-N 3.23Å; M41-I43 HydrophobicContact SD-CD1 4.47Å; I43-V56 HydrophobicContact CD1-CB 4.47Å; I43-V56 HydrophobicContact CD1-CG1 3.99Å; I43-V56 HydrophobicContact CD1-CG2 4.4Å; I43-V56 HydrophobicContact CG2-CG2 3.96Å; I43-K59 HydrophobicContact CD1-CB 4.21Å; I43-L60 HydrophobicContact CD1-CD1 4.11Å; I43-L60 HydrophobicContact CD1-CD2 3.52Å; I43-L60 HydrophobicContact CD1-CG 3.7Å; I43-L60 HydrophobicContact CG1-CD2 4.26Å
44P92.2Very high92Very high71 Ų7171.3 Ų71.346%0.46136%0.362SS..EExtended strand (participates in β ladder)trans-69.5151.4175.229.6-34.6000111.4
45S90.1Very high92.2Very high40 Ų4066.9 Ų66.928%0.2835%0.35SS..  trans-68.8136.5172.254.10000111.5S24 R72S24-S45 PolarHBondContact O-N 3.47Å; S24-S45 PolarHBondContact O-OG 2.76Å; S45-R72 PolarHBondContact OG-NH2 2.96Å
46K88.7Confident92.4Very high174 Ų17460.4 Ų60.476%0.75732%0.32SS*.  trans-114.6-41.3177.2-67.6-174.1175.7-168.50112.3D52K46-D52 PolarHBondContact N-OD2 3.46Å
47G88.2Confident92.5Very high39 Ų3955.6 Ų55.640%0.40230%0.299SS..SBendtrans-135.7-148.1-179.600000111.9R26 D52R26-G47 PolarHBondContact NH2-O 3.24Å; G47-D52 PolarHBondContact N-OD1 2.99Å; G47-D52 VanDerWaalsContact N-OD1 3.12Å; G47-D52 PolarHBondContact N-OD2 2.94Å
48S93.4Very high92.4Very high41 Ų4158.3 Ų58.329%0.28733%0.328SS..  trans-65.6157.6171.577.30000110.7E50 D51 D52 D74S48-E50 PolarHBondContact O-N 2.95Å; S48-E50 PolarHBondContact OG-N 2.96Å; S48-D51 WeakPolarHBondContact CB-OD2 3.4Å; S48-D51 PolarHBondContact O-N 2.85Å; S48-D51 PolarHBondContact OG-N 2.82Å; S48-D51 VanDerWaalsContact OG-N 3.13Å; S48-D51 PolarHBondContact OG-OD2 3.32Å; S48-D52 WeakPolarHBondContact O-CB 3.42Å; S48-D52 PolarHBondContact O-N 3Å; S48-D74 WeakPolarHBondContact CA-OD2 3.4Å
49W93.7Very high92.3Very high50 Ų5061.9 Ų61.919%0.18934%0.34CS..Hα-helixtrans-61.9-24.7175.379.5-88.5000112.3R26 F53 Y71 L73 D74 L131 Y134R26-W49 VanDerWaalsContact NH1-CB 3.33Å; W49-F53 HydrophobicContact CE3-CD2 4.33Å; W49-F53 HydrophobicContact CZ3-CD2 4.31Å; W49-Y71 HydrophobicContact CB-CE1 4.1Å; W49-Y71 HydrophobicContact CE3-CE1 4.08Å; W49-Y71 PolarHBondContact O-OH 2.83Å; W49-L73 HydrophobicContact CB-CD2 4.38Å; W49-L73 HydrophobicContact CD2-CD2 3.43Å; W49-L73 VanDerWaalsContact CD2-CD2 3.43Å; W49-L73 HydrophobicContact CE3-CD2 3.33Å; W49-L73 HydrophobicContact CG-CD2 3.91Å; W49-L73 HydrophobicContact CH2-CD2 4.36Å; W49-L73 HydrophobicContact CZ2-CD2 4.44Å; W49-L73 HydrophobicContact CZ3-CD2 3.83Å; W49-D74 PolarHBondContact N-OD2 2.88Å; W49-L131 HydrophobicContact CH2-CD1 4.05Å; W49-L131 HydrophobicContact CZ3-CD1 3.81Å; W49-Y134 HydrophobicContact CH2-CD1 4.04Å; W49-Y134 AromaticContact CH2-CE1 3.65Å; W49-Y134 HydrophobicContact CH2-CE1 3.65Å; W49-Y134 AromaticContact CZ3-CD1 3.97Å; W49-Y134 HydrophobicContact CZ3-CD1 3.97Å; W49-Y134 AromaticContact CZ3-CE1 3.73Å; W49-Y134 HydrophobicContact CZ3-CE1 3.73Å
50E94.2Very high92.2Very high66 Ų6660.7 Ų60.731%0.30833%0.334SS..Hα-helixtrans-75.8-46176.5-64.1-159.2159.300111.2S48 D52 F53 L131 K135S48-E50 PolarHBondContact O-N 2.95Å; S48-E50 PolarHBondContact OG-N 2.96Å; E50-D52 VanDerWaalsContact C-N 3.33Å; E50-D52 PolarHBondContact O-N 2.81Å; E50-F53 WeakPolarHBondContact O-CB 3.05Å; E50-F53 PolarHBondContact O-N 3.18Å; E50-L131 HydrophobicContact CB-CD1 4.31Å; E50-L131 HydrophobicContact CB-CD2 3.97Å; E50-L131 HydrophobicContact CG-CD1 4.27Å; E50-K135 WeakPolarHBondContact OE1-CE 3.44Å; E50-K135 IonicContact OE1-NZ 2.94Å; E50-K135 PolarHBondContact OE1-NZ 2.91Å; E50-K135 IonicContact OE2-NZ 2.76Å; E50-K135 PolarHBondContact OE2-NZ 3.34Å
51D93.3Very high92Very high119 Ų11956.8 Ų56.864%0.63631%0.313SS*.Hα-helixtrans-66.1-37-178.4-59.4-44.1000112S48 F53S48-D51 WeakPolarHBondContact CB-OD2 3.4Å; S48-D51 PolarHBondContact O-N 2.85Å; S48-D51 PolarHBondContact OG-N 2.82Å; S48-D51 VanDerWaalsContact OG-N 3.13Å; S48-D51 PolarHBondContact OG-OD2 3.32Å; D51-F53 VanDerWaalsContact C-N 3.3Å; D51-F53 PolarHBondContact O-N 3.24Å
52D93.3Very high91.6Very high16 Ų1656.7 Ų56.79%0.08632%0.315CS..Hα-helixtrans-73.6-21.1179.8-75.2-15.4000112.1R26 K46 G47 S48 E50 V55 V56 Y71R26-D52 HydrophobicContact CG-CB 3.92Å; R26-D52 IonicContact CZ-OD2 4Å; R26-D52 IonicContact NE-OD2 3.52Å; R26-D52 PolarHBondContact NE-OD2 2.73Å; R26-D52 IonicContact NH2-OD2 3.9Å; K46-D52 PolarHBondContact N-OD2 3.46Å; G47-D52 PolarHBondContact N-OD1 2.99Å; G47-D52 VanDerWaalsContact N-OD1 3.12Å; G47-D52 PolarHBondContact N-OD2 2.94Å; S48-D52 WeakPolarHBondContact O-CB 3.42Å; S48-D52 PolarHBondContact O-N 3Å; E50-D52 VanDerWaalsContact C-N 3.33Å; E50-D52 PolarHBondContact O-N 2.81Å; D52-V55 PolarHBondContact O-N 2.83Å; D52-V56 HydrophobicContact CB-CG2 4.23Å; D52-V56 WeakPolarHBondContact O-CB 3.29Å; D52-V56 WeakPolarHBondContact O-CG2 3.46Å; D52-V56 PolarHBondContact O-N 2.94Å; D52-Y71 WeakPolarHBondContact CB-OH 3.23Å
53F93.7Very high91.1Very high0 Ų054.9 Ų54.90%032%0.32CS..Hα-helixtrans-60.8-59.6-162-165.6-87.3000113W49 E50 D51 V55 V56 M57 Y71 I84 M129 L131 Y134W49-F53 HydrophobicContact CE3-CD2 4.33Å; W49-F53 HydrophobicContact CZ3-CD2 4.31Å; E50-F53 WeakPolarHBondContact O-CB 3.05Å; E50-F53 PolarHBondContact O-N 3.18Å; D51-F53 VanDerWaalsContact C-N 3.3Å; D51-F53 PolarHBondContact O-N 3.24Å; F53-V55 VanDerWaalsContact C-N 3.33Å; F53-V55 PolarHBondContact O-N 3.45Å; F53-V56 PolarHBondContact O-N 3.06Å; F53-M57 HydrophobicContact CD1-CG 3.98Å; F53-M57 HydrophobicContact CE1-CG 3.78Å; F53-M57 HydrophobicContact CE2-CE 4.29Å; F53-M57 HydrophobicContact CZ-CE 4.35Å; F53-M57 HydrophobicContact CZ-CG 4.23Å; F53-M57 VanDerWaalsContact O-CG 3.29Å; F53-M57 WeakPolarHBondContact O-CG 3.45Å; F53-M57 PolarHBondContact O-N 2.79Å; F53-Y71 WeakPolarHBondContact CA-OH 3.32Å; F53-Y71 AromaticContact CD2-CD1 3.93Å; F53-Y71 HydrophobicContact CD2-CD1 3.93Å; F53-Y71 HydrophobicContact CD2-CD2 4.48Å; F53-Y71 AromaticContact CD2-CE1 3.55Å; F53-Y71 HydrophobicContact CD2-CE1 3.55Å; F53-Y71 HydrophobicContact CD2-CE2 4.15Å; F53-Y71 HydrophobicContact CD2-CG 4.37Å; F53-Y71 AromaticContact CD2-CZ 3.67Å; F53-Y71 HydrophobicContact CE2-CD1 4.1Å; F53-Y71 HydrophobicContact CE2-CE1 4.19Å; F53-Y71 HydrophobicContact CE2-CG 4.38Å; F53-Y71 PolarHBondContact N-OH 2.84Å; F53-Y71 VanDerWaalsContact N-OH 3.07Å; F53-I84 HydrophobicContact CE2-CD1 3.95Å; F53-M129 HydrophobicContact CE1-CG 4.35Å; F53-M129 HydrophobicContact CE1-SD 3.83Å; F53-M129 HydrophobicContact CZ-CG 4.5Å; F53-M129 HydrophobicContact CZ-SD 3.57Å; F53-M129 VanDerWaalsContact CZ-SD 3.57Å; F53-L131 HydrophobicContact CB-CD1 4.28Å; F53-L131 HydrophobicContact CD1-CB 4.21Å; F53-L131 HydrophobicContact CG-CD1 4.31Å; F53-Y134 HydrophobicContact CZ-CG 4.28Å
54D92.6Very high90.6Very high81 Ų8158 Ų5843%0.43334%0.344SS..Hα-helixtrans-65.6-38.5-174.3-69.5-22.5000111.7G58 N130 L131D54-G58 PolarHBondContact O-N 2.56Å; D54-N130 WeakPolarHBondContact OD1-CA 3.41Å; D54-N130 WeakPolarHBondContact OD1-CB 3.37Å; D54-L131 PolarHBondContact OD1-N 3.41Å
55V92.3Very high90.4Very high88 Ų8857.6 Ų57.653%0.53334%0.342SS..Hα-helixtrans-66.8-38.9178.5178.90000111.2D52 F53 K59D52-V55 PolarHBondContact O-N 2.83Å; F53-V55 VanDerWaalsContact C-N 3.33Å; F53-V55 PolarHBondContact O-N 3.45Å; V55-K59 WeakPolarHBondContact O-CG 3.26Å
56V92.6Very high90.6Very high5 Ų555.9 Ų55.93%0.0333%0.331CS..Hα-helixtrans-69.9-48.8177.2166.30000110.5R26 A27 I43 D52 F53 G58 K59 L60 Y71R26-V56 HydrophobicContact CG-CG2 4.13Å; A27-V56 HydrophobicContact CB-CG1 3.38Å; I43-V56 HydrophobicContact CD1-CB 4.47Å; I43-V56 HydrophobicContact CD1-CG1 3.99Å; I43-V56 HydrophobicContact CD1-CG2 4.4Å; I43-V56 HydrophobicContact CG2-CG2 3.96Å; D52-V56 HydrophobicContact CB-CG2 4.23Å; D52-V56 WeakPolarHBondContact O-CB 3.29Å; D52-V56 WeakPolarHBondContact O-CG2 3.46Å; D52-V56 PolarHBondContact O-N 2.94Å; F53-V56 PolarHBondContact O-N 3.06Å; V56-G58 VanDerWaalsContact C-N 3.32Å; V56-G58 PolarHBondContact O-N 2.7Å; V56-K59 PolarHBondContact O-N 2.76Å; V56-L60 HydrophobicContact CG1-CD1 3.74Å; V56-L60 HydrophobicContact CG1-CG 4.28Å; V56-L60 WeakPolarHBondContact O-CG 3.02Å; V56-L60 PolarHBondContact O-N 3.28Å; V56-L60 VanDerWaalsContact O-N 3.1Å; V56-Y71 HydrophobicContact CB-CE2 3.95Å; V56-Y71 HydrophobicContact CG1-CD2 3.9Å; V56-Y71 HydrophobicContact CG1-CE2 3.78Å; V56-Y71 HydrophobicContact CG2-CE2 4.23Å
57M92.4Very high90.9Very high4 Ų447.7 Ų47.72%0.0230%0.295CS..Hα-helixtrans-61.1-41.5-179.6-67.6-57.7140.500111.7F53 K59 L60 L61 V69 Y71 I86 M129F53-M57 HydrophobicContact CD1-CG 3.98Å; F53-M57 HydrophobicContact CE1-CG 3.78Å; F53-M57 HydrophobicContact CE2-CE 4.29Å; F53-M57 HydrophobicContact CZ-CE 4.35Å; F53-M57 HydrophobicContact CZ-CG 4.23Å; F53-M57 VanDerWaalsContact O-CG 3.29Å; F53-M57 WeakPolarHBondContact O-CG 3.45Å; F53-M57 PolarHBondContact O-N 2.79Å; M57-K59 PolarHBondContact O-N 2.92Å; M57-L60 PolarHBondContact O-N 2.98Å; M57-L61 HydrophobicContact CB-CD1 4.3Å; M57-L61 WeakPolarHBondContact O-CB 3.4Å; M57-L61 WeakPolarHBondContact O-CG 3.43Å; M57-L61 PolarHBondContact O-N 2.86Å; M57-L61 HydrophobicContact SD-CD1 4.45Å; M57-V69 HydrophobicContact CE-CG1 4.03Å; M57-V69 HydrophobicContact SD-CG1 4.44Å; M57-Y71 HydrophobicContact CE-CD2 3.32Å; M57-Y71 HydrophobicContact CE-CE2 4.04Å; M57-Y71 HydrophobicContact CE-CG 3.82Å; M57-I86 HydrophobicContact CE-CD1 3.54Å; M57-I86 HydrophobicContact SD-CD1 3.64Å; M57-M129 HydrophobicContact CB-CG 4.42Å; M57-M129 HydrophobicContact CG-CG 3.88Å; M57-M129 HydrophobicContact SD-CG 3.82Å
58G90.9Very high91.2Very high59 Ų5945.8 Ų45.861%0.60828%0.276SS*.Hα-helixtrans-62.8-19.7175.700000114.9D54 V56D54-G58 PolarHBondContact O-N 2.56Å; V56-G58 VanDerWaalsContact C-N 3.32Å; V56-G58 PolarHBondContact O-N 2.7Å
59K91Very high91.3Very high117 Ų11743.9 Ų43.951%0.50926%0.262SS..Hα-helixtrans-93.7-25.8175.2-70.7177.6-176.2-177.30113.6I43 V55 V56 M57I43-K59 HydrophobicContact CD1-CB 4.21Å; V55-K59 WeakPolarHBondContact O-CG 3.26Å; V56-K59 PolarHBondContact O-N 2.76Å; M57-K59 PolarHBondContact O-N 2.92Å
60L90.8Very high91.4Very high0 Ų041.5 Ų41.50%025%0.253CS..Hα-helixtrans-94.2-32.4-174-65.6-174.6000112.7A27 K29 M41 I43 V56 M57 V69A27-L60 HydrophobicContact CB-CD1 3.65Å; K29-L60 HydrophobicContact CB-CD1 4.49Å; K29-L60 HydrophobicContact CB-CD2 3.84Å; K29-L60 HydrophobicContact CD-CB 4.38Å; K29-L60 HydrophobicContact CD-CD2 4.22Å; K29-L60 VanDerWaalsContact CD-O 3.29Å; K29-L60 WeakPolarHBondContact CD-O 3.44Å; K29-L60 WeakPolarHBondContact CE-O 3.44Å; K29-L60 PolarHBondContact NZ-O 3.12Å; M41-L60 HydrophobicContact CB-CD2 4.09Å; M41-L60 HydrophobicContact CG-CD2 4.02Å; M41-L60 HydrophobicContact SD-CD2 3.58Å; M41-L60 VanDerWaalsContact SD-CD2 3.58Å; I43-L60 HydrophobicContact CD1-CD1 4.11Å; I43-L60 HydrophobicContact CD1-CD2 3.52Å; I43-L60 HydrophobicContact CD1-CG 3.7Å; I43-L60 HydrophobicContact CG1-CD2 4.26Å; V56-L60 HydrophobicContact CG1-CD1 3.74Å; V56-L60 HydrophobicContact CG1-CG 4.28Å; V56-L60 WeakPolarHBondContact O-CG 3.02Å; V56-L60 PolarHBondContact O-N 3.28Å; V56-L60 VanDerWaalsContact O-N 3.1Å; M57-L60 PolarHBondContact O-N 2.98Å; L60-V69 HydrophobicContact CB-CG2 4.15Å; L60-V69 HydrophobicContact CD1-CG1 3.56Å; L60-V69 HydrophobicContact CD1-CG2 4.18Å
61L88.9Confident91.5Very high11 Ų1138.3 Ų38.36%0.05824%0.238CC..  trans-91.4115.3-173.8-58-178.8000111.4M57 V69 Y88 I123 V126 M129M57-L61 HydrophobicContact CB-CD1 4.3Å; M57-L61 WeakPolarHBondContact O-CB 3.4Å; M57-L61 WeakPolarHBondContact O-CG 3.43Å; M57-L61 PolarHBondContact O-N 2.86Å; M57-L61 HydrophobicContact SD-CD1 4.45Å; L61-V69 HydrophobicContact CD2-CG2 4.14Å; L61-Y88 HydrophobicContact CD2-CD1 4Å; L61-Y88 HydrophobicContact CD2-CD2 4.45Å; L61-Y88 HydrophobicContact CD2-CG 3.81Å; L61-I123 HydrophobicContact CD1-CD1 4Å; L61-V126 HydrophobicContact CB-CG1 4.13Å; L61-V126 HydrophobicContact CB-CG2 4.45Å; L61-V126 HydrophobicContact CD1-CG1 4.43Å; L61-M129 HydrophobicContact CD1-CB 3.8Å; L61-M129 HydrophobicContact CD1-CG 3.96Å
62D84.8Confident91.5Very high78 Ų7834 Ų3442%0.41721%0.213SC..  trans-100.6125.7175.3-59.9-47000110K29 S64 S65 Y88K29-D62 IonicContact NZ-OD2 2.64Å; K29-D62 PolarHBondContact NZ-OD2 3.03Å; D62-S64 PolarHBondContact O-N 2.82Å; D62-S65 PolarHBondContact O-N 2.83Å; D62-Y88 VanDerWaalsContact O-CE1 3.26Å; D62-Y88 WeakPolarHBondContact O-CE1 3.24Å
63A82.4Confident91.5Very high71 Ų7133.5 Ų33.559%0.58721%0.21SC*.THydrogen-bonded Turntrans-56.8-14.3-173.300000116.3S92 V126A63-S92 PolarHBondContact O-OG 3.13Å; A63-V126 HydrophobicContact CB-CG2 4.38Å
64S83.1Confident91.5Very high88 Ų8837.1 Ų37.162%0.61523%0.23SC*.THydrogen-bonded Turntrans-112-12.8-174.9-173.70000114.7D62D62-S64 PolarHBondContact O-N 2.82Å
65S88.6Confident91.5Very high62 Ų6235.2 Ų35.243%0.43422%0.223SC..SBendtrans-129128.2-170-69.50000112.2D62D62-S65 PolarHBondContact O-N 2.83Å
66P93.9Very high91.4Very high5 Ų535.9 Ų35.93%0.03223%0.227CC..  trans-65.9148.117427-32.8000111.3Y88 V89 L97 Y101P66-Y88 CarbonylContact C-O 3.51Å; P66-Y88 WeakPolarHBondContact CA-O 3.41Å; P66-Y88 WeakPolarHBondContact CB-O 3.35Å; P66-V89 HydrophobicContact CB-CG2 4.34Å; P66-L97 HydrophobicContact CG-CB 4.1Å; P66-L97 HydrophobicContact CG-CD1 4.46Å; P66-Y101 HydrophobicContact CB-CD1 4.02Å; P66-Y101 HydrophobicContact CB-CD2 3.81Å; P66-Y101 HydrophobicContact CB-CE1 4.13Å; P66-Y101 HydrophobicContact CB-CE2 3.9Å; P66-Y101 HydrophobicContact CB-CG 3.86Å; P66-Y101 HydrophobicContact CG-CD2 3.6Å; P66-Y101 HydrophobicContact CG-CE1 4.49Å; P66-Y101 HydrophobicContact CG-CE2 3.44Å; P66-Y101 VanDerWaalsContact CG-CE2 3.44Å; P66-Y101 HydrophobicContact CG-CG 4.19Å; P66-Y101 PolarHBondContact O-OH 2.76Å; P66-Y101 VanDerWaalsContact O-OH 3.11Å
67C94.9Very high91.2Very high1 Ų137.7 Ų37.71%0.00724%0.236CC..EExtended strand (participates in β ladder)trans-155.3164.6174.565.50000111.2K29 I31 Y88K29-C67 HydrophobicContact CG-CB 4.11Å; I31-C67 HydrophobicContact CG2-CB 4.09Å; C67-Y88 PolarHBondContact N-O 3.36Å; C67-Y88 PolarHBondContact O-N 3.17Å
68Y95.6Very high91.1Very high0 Ų043.5 Ų43.50%028%0.277CS..EExtended strand (participates in β ladder)trans-105.7137.7166.3-53.5-68.2000109.6K29 L30 I32 F85 I86 C87 Y101 T104 K105 V108K29-Y68 CarbonylContact C-O 3.47Å; K29-Y68 WeakPolarHBondContact CA-O 3.49Å; L30-Y68 PolarHBondContact N-O 3.24Å; L30-Y68 PolarHBondContact O-N 3.09Å; I32-Y68 HydrophobicContact CD1-CE2 4.04Å; I32-Y68 HydrophobicContact CG1-CE2 4.17Å; Y68-F85 HydrophobicContact CD1-CE1 4.36Å; Y68-F85 AromaticContact CD1-CE2 4Å; Y68-F85 HydrophobicContact CD1-CE2 4Å; Y68-F85 AromaticContact CD1-CZ 3.44Å; Y68-F85 HydrophobicContact CD1-CZ 3.44Å; Y68-F85 VanDerWaalsContact CD1-CZ 3.44Å; Y68-F85 HydrophobicContact CE1-CZ 4.04Å; Y68-F85 HydrophobicContact CG-CE2 4.15Å; Y68-F85 HydrophobicContact CG-CZ 4.03Å; Y68-I86 CarbonylContact C-O 3.57Å; Y68-I86 WeakPolarHBondContact CA-O 3.5Å; Y68-C87 HydrophobicContact CD1-CB 4.23Å; Y68-C87 HydrophobicContact CE1-CB 4.41Å; Y68-Y101 HydrophobicContact CD1-CD1 4.4Å; Y68-Y101 HydrophobicContact CD2-CD1 4.11Å; Y68-Y101 HydrophobicContact CD2-CE1 4.04Å; Y68-Y101 AromaticContact CE1-CD1 3.89Å; Y68-Y101 HydrophobicContact CE1-CD1 3.89Å; Y68-Y101 AromaticContact CE2-CD1 3.55Å; Y68-Y101 HydrophobicContact CE2-CD1 3.55Å; Y68-Y101 AromaticContact CE2-CE1 3.77Å; Y68-Y101 HydrophobicContact CE2-CE1 3.77Å; Y68-Y101 AromaticContact CZ-CD1 3.45Å; Y68-Y101 VanDerWaalsContact CZ-CD1 3.45Å; Y68-Y101 VanDerWaalsContact OH-C 3.27Å; Y68-Y101 VanDerWaalsContact OH-CA 3.24Å; Y68-Y101 WeakPolarHBondContact OH-CA 3.41Å; Y68-Y101 PolarHBondContact OH-O 3.02Å; Y68-T104 WeakPolarHBondContact OH-CB 3.34Å; Y68-K105 HydrophobicContact CE1-CB 4.4Å; Y68-K105 PolarHBondContact OH-N 3.48Å; Y68-V108 HydrophobicContact CD2-CG1 4.26Å; Y68-V108 HydrophobicContact CD2-CG2 3.93Å; Y68-V108 HydrophobicContact CE2-CG2 3.62Å; Y68-V108 HydrophobicContact CG-CG1 4.38Å
69V95.3Very high91Very high0 Ų047.5 Ų47.50%028%0.278CS..EExtended strand (participates in β ladder)trans-123.2126.1174.8179.50000109.2A27 L28 M57 L60 L61 I86A27-V69 HydrophobicContact CB-CG1 4.48Å; L28-V69 CarbonylContact O-C 3.55Å; L28-V69 VanDerWaalsContact O-CA 3.28Å; L28-V69 WeakPolarHBondContact O-CA 3.44Å; M57-V69 HydrophobicContact CE-CG1 4.03Å; M57-V69 HydrophobicContact SD-CG1 4.44Å; L60-V69 HydrophobicContact CB-CG2 4.15Å; L60-V69 HydrophobicContact CD1-CG1 3.56Å; L60-V69 HydrophobicContact CD1-CG2 4.18Å; L61-V69 HydrophobicContact CD2-CG2 4.14Å; V69-I86 HydrophobicContact CB-CB 4.18Å; V69-I86 PolarHBondContact N-O 3.49Å; V69-I86 PolarHBondContact O-N 3.14Å
70F95.2Very high90.8Very high0 Ų043.2 Ų43.20%027%0.267CS..EExtended strand (participates in β ladder)trans-98.2125.6163.8-68.5-86.2000108.1A27 L28 L30 W83 I84 F85 V108 F112 I117A27-F70 CarbonylContact C-O 3.47Å; A27-F70 WeakPolarHBondContact CA-O 3.41Å; L28-F70 HydrophobicContact CB-CB 4.37Å; L28-F70 PolarHBondContact N-O 3.25Å; L28-F70 PolarHBondContact O-N 3.28Å; L30-F70 HydrophobicContact CD1-CD2 3.58Å; L30-F70 HydrophobicContact CD1-CE2 3.87Å; L30-F70 HydrophobicContact CD2-CE2 4.06Å; F70-W83 HydrophobicContact CB-CE3 3.75Å; F70-W83 HydrophobicContact CB-CZ3 4.12Å; F70-I84 CarbonylContact C-O 3.57Å; F70-I84 WeakPolarHBondContact CA-O 3.39Å; F70-F85 HydrophobicContact CD1-CB 4.36Å; F70-F85 AromaticContact CD1-CD2 3.76Å; F70-F85 HydrophobicContact CD1-CD2 3.76Å; F70-F85 HydrophobicContact CD2-CD2 4.36Å; F70-F85 HydrophobicContact CE1-CB 4.25Å; F70-F85 AromaticContact CE1-CD2 3.3Å; F70-F85 HydrophobicContact CE1-CD2 3.3Å; F70-F85 AromaticContact CE1-CE2 3.97Å; F70-F85 HydrophobicContact CE1-CE2 3.97Å; F70-F85 HydrophobicContact CE1-CG 4.14Å; F70-F85 AromaticContact CE2-CD2 3.98Å; F70-F85 HydrophobicContact CE2-CD2 3.98Å; F70-F85 AromaticContact CE2-CE2 3.95Å; F70-F85 HydrophobicContact CE2-CE2 3.95Å; F70-F85 HydrophobicContact CG-CD2 4.28Å; F70-F85 AromaticContact CZ-CD2 3.44Å; F70-F85 HydrophobicContact CZ-CD2 3.44Å; F70-F85 VanDerWaalsContact CZ-CD2 3.44Å; F70-F85 AromaticContact CZ-CE2 3.59Å; F70-F85 HydrophobicContact CZ-CE2 3.59Å; F70-V108 HydrophobicContact CE2-CG1 3.77Å; F70-V108 HydrophobicContact CZ-CG1 3.77Å; F70-F112 HydrophobicContact CB-CE2 4.3Å; F70-F112 HydrophobicContact CB-CZ 4.22Å; F70-F112 HydrophobicContact CD1-CB 4.46Å; F70-F112 AromaticContact CD1-CD1 3.62Å; F70-F112 HydrophobicContact CD1-CD1 3.62Å; F70-F112 HydrophobicContact CD1-CD2 4.01Å; F70-F112 AromaticContact CD1-CE1 3.72Å; F70-F112 HydrophobicContact CD1-CE1 3.72Å; F70-F112 HydrophobicContact CD1-CE2 4.12Å; F70-F112 AromaticContact CD1-CG 3.75Å; F70-F112 HydrophobicContact CD1-CG 3.75Å; F70-F112 AromaticContact CD1-CZ 3.96Å; F70-F112 HydrophobicContact CD1-CZ 3.96Å; F70-F112 AromaticContact CD2-CD2 3.97Å; F70-F112 HydrophobicContact CD2-CD2 3.97Å; F70-F112 HydrophobicContact CD2-CE2 4.18Å; F70-F112 HydrophobicContact CD2-CG 4.38Å; F70-F112 HydrophobicContact CE1-CB 3.59Å; F70-F112 AromaticContact CE1-CD1 3.45Å; F70-F112 HydrophobicContact CE1-CD1 3.45Å; F70-F112 VanDerWaalsContact CE1-CD1 3.45Å; F70-F112 AromaticContact CE1-CD2 3.92Å; F70-F112 HydrophobicContact CE1-CD2 3.92Å; F70-F112 HydrophobicContact CE1-CE1 4.06Å; F70-F112 HydrophobicContact CE1-CE2 4.49Å; F70-F112 AromaticContact CE1-CG 3.35Å; F70-F112 HydrophobicContact CE1-CG 3.35Å; F70-F112 HydrophobicContact CE2-CB 4.13Å; F70-F112 AromaticContact CE2-CD2 3.88Å; F70-F112 HydrophobicContact CE2-CD2 3.88Å; F70-F112 HydrophobicContact CE2-CG 4.03Å; F70-F112 HydrophobicContact CG-CD1 4.4Å; F70-F112 HydrophobicContact CG-CD2 4.02Å; F70-F112 HydrophobicContact CG-CE1 4.3Å; F70-F112 AromaticContact CG-CE2 3.94Å; F70-F112 HydrophobicContact CG-CE2 3.94Å; F70-F112 HydrophobicContact CG-CG 4.24Å; F70-F112 HydrophobicContact CG-CZ 4.07Å; F70-F112 HydrophobicContact CZ-CB 3.37Å; F70-F112 HydrophobicContact CZ-CD1 4.1Å; F70-F112 AromaticContact CZ-CD2 3.84Å; F70-F112 HydrophobicContact CZ-CD2 3.84Å; F70-F112 AromaticContact CZ-CG 3.49Å; F70-F112 HydrophobicContact CZ-CG 3.49Å; F70-F112 VanDerWaalsContact CZ-CG 3.49Å; F70-I117 HydrophobicContact CD1-CD1 3.78Å; F70-I117 HydrophobicContact CE1-CD1 3.68Å
71Y95.1Very high90.9Very high0 Ų045.4 Ų45.40%028%0.278CS..EExtended strand (participates in β ladder)trans-120119.9179.4-172.6-89.2000110.2R26 A27 W49 D52 F53 V56 M57 W83 I84R26-Y71 VanDerWaalsContact CD-CZ 3.45Å; R26-Y71 WeakPolarHBondContact CD-OH 3.37Å; R26-Y71 HydrophobicContact CG-CD2 4.29Å; R26-Y71 HydrophobicContact CG-CE2 3.59Å; R26-Y71 CarbonylContact O-C 3.58Å; R26-Y71 WeakPolarHBondContact O-CA 3.45Å; A27-Y71 HydrophobicContact CB-CD2 3.91Å; W49-Y71 HydrophobicContact CB-CE1 4.1Å; W49-Y71 HydrophobicContact CE3-CE1 4.08Å; W49-Y71 PolarHBondContact O-OH 2.83Å; D52-Y71 WeakPolarHBondContact CB-OH 3.23Å; F53-Y71 WeakPolarHBondContact CA-OH 3.32Å; F53-Y71 AromaticContact CD2-CD1 3.93Å; F53-Y71 HydrophobicContact CD2-CD1 3.93Å; F53-Y71 HydrophobicContact CD2-CD2 4.48Å; F53-Y71 AromaticContact CD2-CE1 3.55Å; F53-Y71 HydrophobicContact CD2-CE1 3.55Å; F53-Y71 HydrophobicContact CD2-CE2 4.15Å; F53-Y71 HydrophobicContact CD2-CG 4.37Å; F53-Y71 AromaticContact CD2-CZ 3.67Å; F53-Y71 HydrophobicContact CE2-CD1 4.1Å; F53-Y71 HydrophobicContact CE2-CE1 4.19Å; F53-Y71 HydrophobicContact CE2-CG 4.38Å; F53-Y71 PolarHBondContact N-OH 2.84Å; F53-Y71 VanDerWaalsContact N-OH 3.07Å; V56-Y71 HydrophobicContact CB-CE2 3.95Å; V56-Y71 HydrophobicContact CG1-CD2 3.9Å; V56-Y71 HydrophobicContact CG1-CE2 3.78Å; V56-Y71 HydrophobicContact CG2-CE2 4.23Å; M57-Y71 HydrophobicContact CE-CD2 3.32Å; M57-Y71 HydrophobicContact CE-CE2 4.04Å; M57-Y71 HydrophobicContact CE-CG 3.82Å; Y71-W83 CarbonylContact O-C 3.58Å; Y71-W83 VanDerWaalsContact O-CA 3.31Å; Y71-W83 WeakPolarHBondContact O-CA 3.47Å; Y71-I84 HydrophobicContact CD1-CD1 4.15Å; Y71-I84 PolarHBondContact N-O 3.33Å; Y71-I84 PolarHBondContact O-N 3.35Å
72R94.3Very high91.1Very high29 Ų2945.7 Ų45.711%0.10928%0.28CS..EExtended strand (participates in β ladder)trans-78.7127.6-176.8-163.9176.667.4148-2.3110.3Y25 R26 S45 N81 W83Y25-R72 WeakPolarHBondContact O-CD 3.38Å; Y25-R72 PolarHBondContact O-NE 2.79Å; Y25-R72 VanDerWaalsContact O-NE 3.12Å; R26-R72 WeakPolarHBondContact CD-O 3.4Å; R26-R72 PolarHBondContact NH1-O 2.79Å; R26-R72 PolarHBondContact O-N 3.42Å; S45-R72 PolarHBondContact OG-NH2 2.96Å; R72-N81 HydrophobicContact CG-CB 3.84Å; R72-N81 PolarHBondContact NH1-ND2 2.88Å; R72-W83 HydrophobicContact CB-CD2 3.99Å; R72-W83 HydrophobicContact CB-CE3 3.74Å; R72-W83 HydrophobicContact CB-CH2 3.75Å; R72-W83 HydrophobicContact CB-CZ2 3.98Å; R72-W83 HydrophobicContact CB-CZ3 3.63Å; R72-W83 HydrophobicContact CG-CD2 4.13Å; R72-W83 HydrophobicContact CG-CE3 4.37Å; R72-W83 HydrophobicContact CG-CH2 4.08Å; R72-W83 HydrophobicContact CG-CZ2 3.79Å; R72-W83 HydrophobicContact CG-CZ3 4.36Å
73L93.9Very high91.6Very high4 Ų442.1 Ų42.12%0.02126%0.261CS..EExtended strand (participates in β ladder)trans-84.6162.7168.5-65.4177.7000110.5W49 D82 I84 K118W49-L73 HydrophobicContact CB-CD2 4.38Å; W49-L73 HydrophobicContact CD2-CD2 3.43Å; W49-L73 VanDerWaalsContact CD2-CD2 3.43Å; W49-L73 HydrophobicContact CE3-CD2 3.33Å; W49-L73 HydrophobicContact CG-CD2 3.91Å; W49-L73 HydrophobicContact CH2-CD2 4.36Å; W49-L73 HydrophobicContact CZ2-CD2 4.44Å; W49-L73 HydrophobicContact CZ3-CD2 3.83Å; L73-D82 HydrophobicContact CB-CB 4.08Å; L73-D82 WeakPolarHBondContact CB-O 3.3Å; L73-D82 HydrophobicContact CD1-CB 4.07Å; L73-D82 PolarHBondContact N-O 3.44Å; L73-I84 HydrophobicContact CD1-CD1 4.42Å; L73-I84 HydrophobicContact CD1-CG1 3.98Å; L73-I84 HydrophobicContact CD2-CD1 3.66Å; L73-I84 HydrophobicContact CD2-CG1 4.02Å; L73-I84 HydrophobicContact CG-CD1 4.18Å; L73-I84 HydrophobicContact CG-CG1 3.96Å; L73-K118 HydrophobicContact CD1-CB 4.46Å; L73-K118 HydrophobicContact CD1-CD 3.61Å
74D92.7Very high92.1Very high77 Ų7738.8 Ų38.841%0.41223%0.233SC..EExtended strand (participates in β ladder)trans-82.9-4.2172.7-59.9-25.7000112.2R26 S48 W49R26-D74 IonicContact CZ-OD1 2.82Å; R26-D74 VanDerWaalsContact CZ-OD1 3.26Å; R26-D74 IonicContact NH1-OD1 2.75Å; R26-D74 PolarHBondContact NH1-OD1 2.82Å; R26-D74 IonicContact NH2-OD1 2.98Å; R26-D74 PolarHBondContact NH2-OD1 2.9Å; R26-D74 IonicContact NH2-OD2 3.78Å; S48-D74 WeakPolarHBondContact CA-OD2 3.4Å; W49-D74 PolarHBondContact N-OD2 2.88Å
75S92.4Very high92.8Very high41 Ų4134.6 Ų34.629%0.28720%0.204SC..EExtended strand (participates in β ladder)trans-80.8149.5172.859.90000111.8D82 K118S75-D82 WeakPolarHBondContact CB-OD2 3.38Å; S75-D82 PolarHBondContact O-N 2.69Å; S75-D82 WeakPolarHBondContact OG-CB 3.36Å; S75-D82 PolarHBondContact OG-OD2 2.75Å; S75-K118 PolarHBondContact OG-NZ 3.5Å
76V90.5Very high93.1Very high102 Ų10231.6 Ų31.662%0.61818%0.183SC*.EExtended strand (participates in β ladder)trans-124131.6-177.2-1760000108.5G80V76-G80 CarbonylContact C-O 3.57Å; V76-G80 WeakPolarHBondContact CA-O 3.02Å; V76-G80 WeakPolarHBondContact CG1-O 3.39Å
77N89Confident93.1Very high43 Ų4331.5 Ų31.523%0.2318%0.182CC..EExtended strand (participates in β ladder)trans-103.6180170.969.635.3000110.9F79 G80 D82 N115N77-F79 PolarHBondContact O-N 3.06Å; N77-F79 WeakPolarHBondContact OD1-CA 3.44Å; N77-F79 WeakPolarHBondContact OD1-CB 3.38Å; N77-F79 PolarHBondContact OD1-N 3.19Å; N77-G80 PolarHBondContact N-O 3Å; N77-G80 PolarHBondContact O-N 3.01Å; N77-G80 PolarHBondContact OD1-N 2.9Å; N77-G80 PolarHBondContact OD1-O 3.37Å; N77-G80 VanDerWaalsContact OD1-O 3.14Å; N77-D82 WeakPolarHBondContact CB-OD1 3.39Å; N77-D82 PolarHBondContact ND2-OD1 3.12Å; N77-N115 PolarHBondContact ND2-O 3.42Å
78S90.4Very high93.1Very high125 Ų12531.7 Ų31.787%0.87418%0.183SC*.THydrogen-bonded Turntrans-60.3-17.1-178.5-52.60000114.8
79F87.4Confident93Very high144 Ų14432.7 Ų32.763%0.63219%0.189SC*.THydrogen-bonded Turntrans-103.8-15.3-178.7-56.6-79.3000113.4N77 N115 L116N77-F79 PolarHBondContact O-N 3.06Å; N77-F79 WeakPolarHBondContact OD1-CA 3.44Å; N77-F79 WeakPolarHBondContact OD1-CB 3.38Å; N77-F79 PolarHBondContact OD1-N 3.19Å; F79-N115 HydrophobicContact CD1-CB 4.38Å; F79-N115 HydrophobicContact CD2-CB 3.75Å; F79-N115 HydrophobicContact CE2-CB 3.95Å; F79-N115 HydrophobicContact CG-CB 3.98Å; F79-N115 HydrophobicContact CZ-CB 4.34Å; F79-L116 HydrophobicContact CB-CD2 3.87Å
80G88.3Confident92.9Very high26 Ų2632.8 Ų32.827%0.26819%0.19SC..EExtended strand (participates in β ladder)trans146.7-158.4-178.200000112.6V76 N77V76-G80 CarbonylContact C-O 3.57Å; V76-G80 WeakPolarHBondContact CA-O 3.02Å; V76-G80 WeakPolarHBondContact CG1-O 3.39Å; N77-G80 PolarHBondContact N-O 3Å; N77-G80 PolarHBondContact O-N 3.01Å; N77-G80 PolarHBondContact OD1-N 2.9Å; N77-G80 PolarHBondContact OD1-O 3.37Å; N77-G80 VanDerWaalsContact OD1-O 3.14Å
81N91.3Very high92.5Very high46 Ų4639 Ų3925%0.24622%0.218CC..EExtended strand (participates in β ladder)trans-63.7141.6176.1-57.8-53.9000110.5R72 W83R72-N81 HydrophobicContact CG-CB 3.84Å; R72-N81 PolarHBondContact NH1-ND2 2.88Å; N81-W83 PolarHBondContact O-NE1 2.77Å
82D93.6Very high92.2Very high18 Ų1843.2 Ų43.210%0.09625%0.248CC..EExtended strand (participates in β ladder)trans-71.9144.7171.2-74.8-36.3000110.7L73 S75 N77 K118L73-D82 HydrophobicContact CB-CB 4.08Å; L73-D82 WeakPolarHBondContact CB-O 3.3Å; L73-D82 HydrophobicContact CD1-CB 4.07Å; L73-D82 PolarHBondContact N-O 3.44Å; S75-D82 WeakPolarHBondContact CB-OD2 3.38Å; S75-D82 PolarHBondContact O-N 2.69Å; S75-D82 WeakPolarHBondContact OG-CB 3.36Å; S75-D82 PolarHBondContact OG-OD2 2.75Å; N77-D82 WeakPolarHBondContact CB-OD1 3.39Å; N77-D82 PolarHBondContact ND2-OD1 3.12Å; D82-K118 HydrophobicContact CB-CB 4.04Å; D82-K118 HydrophobicContact CB-CD 4.15Å; D82-K118 IonicContact OD2-NZ 2.8Å
83W94.7Very high91.9Very high3 Ų342.3 Ų42.31%0.01125%0.247CC..EExtended strand (participates in β ladder)trans-126.8143.2175.9-62.475.4000111.3L28 F70 Y71 R72 N81 F112 L116 I117 K118L28-W83 HydrophobicContact CD1-CH2 4.28Å; L28-W83 HydrophobicContact CD1-CZ3 4.24Å; L28-W83 HydrophobicContact CG-CZ3 4.35Å; F70-W83 HydrophobicContact CB-CE3 3.75Å; F70-W83 HydrophobicContact CB-CZ3 4.12Å; Y71-W83 CarbonylContact O-C 3.58Å; Y71-W83 VanDerWaalsContact O-CA 3.31Å; Y71-W83 WeakPolarHBondContact O-CA 3.47Å; R72-W83 HydrophobicContact CB-CD2 3.99Å; R72-W83 HydrophobicContact CB-CE3 3.74Å; R72-W83 HydrophobicContact CB-CH2 3.75Å; R72-W83 HydrophobicContact CB-CZ2 3.98Å; R72-W83 HydrophobicContact CB-CZ3 3.63Å; R72-W83 HydrophobicContact CG-CD2 4.13Å; R72-W83 HydrophobicContact CG-CE3 4.37Å; R72-W83 HydrophobicContact CG-CH2 4.08Å; R72-W83 HydrophobicContact CG-CZ2 3.79Å; R72-W83 HydrophobicContact CG-CZ3 4.36Å; N81-W83 PolarHBondContact O-NE1 2.77Å; W83-F112 HydrophobicContact CB-CE1 4.3Å; W83-F112 AromaticContact CD1-CE1 3.94Å; W83-F112 AromaticContact CD2-CE1 3.91Å; W83-F112 HydrophobicContact CD2-CE1 3.91Å; W83-F112 AromaticContact CD2-CZ 3.69Å; W83-F112 HydrophobicContact CD2-CZ 3.69Å; W83-F112 AromaticContact CE2-CZ 3.77Å; W83-F112 HydrophobicContact CE3-CE1 4.48Å; W83-F112 AromaticContact CE3-CZ 3.96Å; W83-F112 HydrophobicContact CE3-CZ 3.96Å; W83-F112 AromaticContact CG-CE1 3.8Å; W83-F112 HydrophobicContact CG-CE1 3.8Å; W83-F112 HydrophobicContact CG-CZ 4.11Å; W83-F112 HydrophobicContact CH2-CZ 4.34Å; W83-F112 HydrophobicContact CZ2-CZ 4.12Å; W83-F112 HydrophobicContact CZ3-CZ 4.26Å; W83-L116 PolarHBondContact N-O 3.25Å; W83-I117 HydrophobicContact CB-CD1 3.8Å; W83-I117 CarbonylContact O-C 3.5Å; W83-I117 WeakPolarHBondContact O-CA 3.48Å; W83-K118 PolarHBondContact O-N 2.73Å
84I94.9Very high91.8Very high0 Ų047.2 Ų47.20%027%0.273CS..EExtended strand (participates in β ladder)trans-91127.8162.9-54166.8000106.9F53 F70 Y71 L73 I86 D119 I121 Y134F53-I84 HydrophobicContact CE2-CD1 3.95Å; F70-I84 CarbonylContact C-O 3.57Å; F70-I84 WeakPolarHBondContact CA-O 3.39Å; Y71-I84 HydrophobicContact CD1-CD1 4.15Å; Y71-I84 PolarHBondContact N-O 3.33Å; Y71-I84 PolarHBondContact O-N 3.35Å; L73-I84 HydrophobicContact CD1-CD1 4.42Å; L73-I84 HydrophobicContact CD1-CG1 3.98Å; L73-I84 HydrophobicContact CD2-CD1 3.66Å; L73-I84 HydrophobicContact CD2-CG1 4.02Å; L73-I84 HydrophobicContact CG-CD1 4.18Å; L73-I84 HydrophobicContact CG-CG1 3.96Å; I84-I86 HydrophobicContact CG2-CD1 4.31Å; I84-I86 HydrophobicContact CG2-CG1 3.84Å; I84-D119 CarbonylContact C-O 3.56Å; I84-D119 WeakPolarHBondContact CA-O 3.34Å; I84-D119 HydrophobicContact CG1-CB 4.36Å; I84-D119 HydrophobicContact CG2-CB 4.07Å; I84-I121 HydrophobicContact CG2-CD1 4.05Å; I84-I121 HydrophobicContact CG2-CG1 4.49Å; I84-Y134 HydrophobicContact CD1-CD1 4.49Å; I84-Y134 HydrophobicContact CD1-CD2 4.09Å; I84-Y134 HydrophobicContact CD1-CE1 3.92Å; I84-Y134 HydrophobicContact CD1-CE2 3.47Å; I84-Y134 VanDerWaalsContact CD1-CE2 3.47Å; I84-Y134 HydrophobicContact CG1-CE2 4.01Å; I84-Y134 HydrophobicContact CG2-CE2 4.18Å
85F95.9Very high91.7Very high0 Ų048.5 Ų48.50%028%0.283CS..EExtended strand (participates in β ladder)trans-98.8124.4168.7177.9-104.8000110Y68 F70 C87 K105 V108 L109 I117 D119 D120 I121Y68-F85 HydrophobicContact CD1-CE1 4.36Å; Y68-F85 AromaticContact CD1-CE2 4Å; Y68-F85 HydrophobicContact CD1-CE2 4Å; Y68-F85 AromaticContact CD1-CZ 3.44Å; Y68-F85 HydrophobicContact CD1-CZ 3.44Å; Y68-F85 VanDerWaalsContact CD1-CZ 3.44Å; Y68-F85 HydrophobicContact CE1-CZ 4.04Å; Y68-F85 HydrophobicContact CG-CE2 4.15Å; Y68-F85 HydrophobicContact CG-CZ 4.03Å; F70-F85 HydrophobicContact CD1-CB 4.36Å; F70-F85 AromaticContact CD1-CD2 3.76Å; F70-F85 HydrophobicContact CD1-CD2 3.76Å; F70-F85 HydrophobicContact CD2-CD2 4.36Å; F70-F85 HydrophobicContact CE1-CB 4.25Å; F70-F85 AromaticContact CE1-CD2 3.3Å; F70-F85 HydrophobicContact CE1-CD2 3.3Å; F70-F85 AromaticContact CE1-CE2 3.97Å; F70-F85 HydrophobicContact CE1-CE2 3.97Å; F70-F85 HydrophobicContact CE1-CG 4.14Å; F70-F85 AromaticContact CE2-CD2 3.98Å; F70-F85 HydrophobicContact CE2-CD2 3.98Å; F70-F85 AromaticContact CE2-CE2 3.95Å; F70-F85 HydrophobicContact CE2-CE2 3.95Å; F70-F85 HydrophobicContact CG-CD2 4.28Å; F70-F85 AromaticContact CZ-CD2 3.44Å; F70-F85 HydrophobicContact CZ-CD2 3.44Å; F70-F85 VanDerWaalsContact CZ-CD2 3.44Å; F70-F85 AromaticContact CZ-CE2 3.59Å; F70-F85 HydrophobicContact CZ-CE2 3.59Å; F85-C87 HydrophobicContact CE1-CB 4.06Å; F85-K105 HydrophobicContact CE1-CD 4.25Å; F85-K105 HydrophobicContact CE1-CG 3.7Å; F85-K105 HydrophobicContact CZ-CG 4.13Å; F85-V108 HydrophobicContact CE2-CG1 3.97Å; F85-V108 HydrophobicContact CZ-CG1 4.41Å; F85-L109 HydrophobicContact CB-CD2 3.84Å; F85-L109 HydrophobicContact CD1-CD1 4.28Å; F85-L109 HydrophobicContact CD1-CD2 3.63Å; F85-L109 HydrophobicContact CD1-CG 4.07Å; F85-L109 HydrophobicContact CD2-CD2 3.98Å; F85-L109 HydrophobicContact CE1-CD1 4.27Å; F85-L109 HydrophobicContact CE1-CD2 4.12Å; F85-L109 HydrophobicContact CE1-CG 4.06Å; F85-L109 HydrophobicContact CE2-CD2 4.39Å; F85-L109 HydrophobicContact CG-CD2 3.53Å; F85-L109 HydrophobicContact CG-CG 4.33Å; F85-L109 HydrophobicContact CZ-CD2 4.45Å; F85-L109 HydrophobicContact CZ-CG 4.28Å; F85-I117 HydrophobicContact CB-CD1 4.42Å; F85-I117 HydrophobicContact CB-CG2 3.77Å; F85-D119 PolarHBondContact N-O 3.48Å; F85-D120 WeakPolarHBondContact CD1-OD1 3.35Å; F85-I121 PolarHBondContact O-N 3.29Å
86I95Very high91.6Very high0 Ų054.9 Ų54.90%030%0.301CS..EExtended strand (participates in β ladder)trans-118115.4-179.3-59.7165000108.2M57 Y68 V69 I84 I121 I123 M129M57-I86 HydrophobicContact CE-CD1 3.54Å; M57-I86 HydrophobicContact SD-CD1 3.64Å; Y68-I86 CarbonylContact C-O 3.57Å; Y68-I86 WeakPolarHBondContact CA-O 3.5Å; V69-I86 HydrophobicContact CB-CB 4.18Å; V69-I86 PolarHBondContact N-O 3.49Å; V69-I86 PolarHBondContact O-N 3.14Å; I84-I86 HydrophobicContact CG2-CD1 4.31Å; I84-I86 HydrophobicContact CG2-CG1 3.84Å; I86-I121 CarbonylContact C-O 3.57Å; I86-I121 WeakPolarHBondContact CA-O 3.31Å; I86-I123 HydrophobicContact CG2-CD1 3.52Å; I86-I123 HydrophobicContact CG2-CG1 3.7Å; I86-M129 HydrophobicContact CB-CE 4.42Å; I86-M129 HydrophobicContact CD1-CE 3.9Å; I86-M129 HydrophobicContact CD1-CG 4.16Å; I86-M129 HydrophobicContact CD1-SD 3.67Å; I86-M129 HydrophobicContact CG1-CE 3.85Å; I86-M129 HydrophobicContact CG1-SD 4.3Å; I86-M129 HydrophobicContact CG2-CE 3.73Å
87C94.9Very high91.7Very high3 Ų353.5 Ų53.52%0.0229%0.29CS..EExtended strand (participates in β ladder)trans-94.3103.9169.7-175.20000108.5Y68 F85 K105 I121 T122 I123Y68-C87 HydrophobicContact CD1-CB 4.23Å; Y68-C87 HydrophobicContact CE1-CB 4.41Å; F85-C87 HydrophobicContact CE1-CB 4.06Å; C87-K105 HydrophobicContact CB-CD 4.43Å; C87-I121 PolarHBondContact N-O 3.39Å; C87-T122 HydrophobicContact CB-CG2 4.34Å; C87-T122 WeakPolarHBondContact O-CA 3.47Å; C87-I123 PolarHBondContact O-N 3.39Å
88Y94.9Very high91.8Very high4 Ų453.7 Ų53.72%0.01629%0.288CS..EExtended strand (participates in β ladder)trans-97.6118.7178177.2-113.2000110.8L61 D62 P66 C67 P90 I123 V126L61-Y88 HydrophobicContact CD2-CD1 4Å; L61-Y88 HydrophobicContact CD2-CD2 4.45Å; L61-Y88 HydrophobicContact CD2-CG 3.81Å; D62-Y88 VanDerWaalsContact O-CE1 3.26Å; D62-Y88 WeakPolarHBondContact O-CE1 3.24Å; P66-Y88 CarbonylContact C-O 3.51Å; P66-Y88 WeakPolarHBondContact CA-O 3.41Å; P66-Y88 WeakPolarHBondContact CB-O 3.35Å; C67-Y88 PolarHBondContact N-O 3.36Å; C67-Y88 PolarHBondContact O-N 3.17Å; Y88-P90 HydrophobicContact CE1-CB 4.27Å; Y88-P90 HydrophobicContact CE1-CG 3.84Å; Y88-P90 WeakPolarHBondContact OH-CB 3.34Å; Y88-I123 WeakPolarHBondContact CA-O 3.29Å; Y88-I123 HydrophobicContact CD2-CD1 3.59Å; Y88-I123 HydrophobicContact CD2-CG1 3.8Å; Y88-I123 HydrophobicContact CG-CD1 4.16Å; Y88-I123 HydrophobicContact CG-CG1 4.41Å; Y88-V126 HydrophobicContact CE2-CG2 4.15Å; Y88-V126 WeakPolarHBondContact OH-CG2 3.49Å
89V93.2Very high91.9Very high21 Ų2151.3 Ų51.313%0.12727%0.269CS..  trans-13494.4-179.6-177.10000108.9P66 K98 I123 N124P66-V89 HydrophobicContact CB-CG2 4.34Å; V89-K98 HydrophobicContact CG1-CB 3.97Å; V89-K98 HydrophobicContact CG1-CD 4.36Å; V89-K98 HydrophobicContact CG1-CG 3.59Å; V89-I123 PolarHBondContact N-O 3.34Å; V89-N124 VanDerWaalsContact O-CA 3.3Å; V89-N124 WeakPolarHBondContact O-CA 3.48Å
90P92.5Very high92.2Very high2 Ų246.2 Ų46.21%0.01325%0.248CC..  trans-62.2143.5-176.514.7-19.7000112Y88 S92 S93 K98 N124Y88-P90 HydrophobicContact CE1-CB 4.27Å; Y88-P90 HydrophobicContact CE1-CG 3.84Å; Y88-P90 WeakPolarHBondContact OH-CB 3.34Å; P90-S92 PolarHBondContact O-N 2.62Å; P90-S93 WeakPolarHBondContact O-CB 3.48Å; P90-S93 PolarHBondContact O-N 3.11Å; P90-S93 PolarHBondContact O-OG 2.67Å; P90-K98 VanDerWaalsContact O-CE 3.32Å; P90-K98 WeakPolarHBondContact O-CE 3.24Å; P90-N124 WeakPolarHBondContact CA-O 3.43Å
91E88.4Confident92.4Very high130 Ų13045.4 Ų45.461%0.60724%0.237SC*.THydrogen-bonded Turntrans-62.1-26.3178.5-160.657-12500112.4S93 K98E91-S93 VanDerWaalsContact C-N 3.29Å; E91-S93 PolarHBondContact O-N 3.34Å; E91-K98 WeakPolarHBondContact O-CE 3.19Å; E91-K98 PolarHBondContact O-NZ 3.36Å; E91-K98 IonicContact OE1-NZ 3.37Å; E91-K98 PolarHBondContact OE1-NZ 3.22Å
92S87.9Confident92.5Very high89 Ų8946.4 Ų46.462%0.62225%0.251SS*.THydrogen-bonded Turntrans-75.4-9.7175.954.70000114.6A63 P90A63-S92 PolarHBondContact O-OG 3.13Å; P90-S92 PolarHBondContact O-N 2.62Å
93S88.4Confident92.5Very high11 Ų1146.3 Ų46.38%0.07725%0.253CS..SBendtrans-72.5151.7-179.460.70000112.8P90 E91 K98P90-S93 WeakPolarHBondContact O-CB 3.48Å; P90-S93 PolarHBondContact O-N 3.11Å; P90-S93 PolarHBondContact O-OG 2.67Å; E91-S93 VanDerWaalsContact C-N 3.29Å; E91-S93 PolarHBondContact O-N 3.34Å; S93-K98 VanDerWaalsContact O-CE 3.24Å; S93-K98 WeakPolarHBondContact O-CE 3.32Å; S93-K98 WeakPolarHBondContact OG-CE 3.43Å; S93-K98 WeakPolarHBondContact OG-CG 3.14Å
94D90.4Very high92.4Very high107 Ų10746.1 Ų46.157%0.57225%0.252SS*.  trans-57.9138.5175.7-170.1-63.2000111.1R96 L97 K98D94-R96 PolarHBondContact O-N 2.93Å; D94-R96 VanDerWaalsContact O-N 3.16Å; D94-R96 VanDerWaalsContact OD1-CB 3.27Å; D94-R96 WeakPolarHBondContact OD1-CB 3.49Å; D94-R96 PolarHBondContact OD1-N 2.82Å; D94-L97 HydrophobicContact CB-CD1 4.46Å; D94-L97 HydrophobicContact CB-CG 4.43Å; D94-L97 WeakPolarHBondContact O-CA 3.36Å; D94-L97 WeakPolarHBondContact O-CB 3.18Å; D94-L97 PolarHBondContact O-N 3.39Å; D94-K98 PolarHBondContact O-N 3.46Å
95V91.3Very high92.4Very high104 Ų10448 Ų4863%0.6326%0.26SS*.Hα-helixtrans-52.2-39179.1-179.90000111.4L97 K98 T99V95-L97 VanDerWaalsContact C-N 3.35Å; V95-L97 PolarHBondContact O-N 3.47Å; V95-K98 WeakPolarHBondContact O-CB 3.29Å; V95-K98 PolarHBondContact O-N 2.83Å; V95-T99 PolarHBondContact O-N 2.67Å; V95-T99 PolarHBondContact O-OG1 3.22Å; V95-T99 VanDerWaalsContact O-OG1 3.06Å
96R91.4Very high92.2Very high174 Ų17450.2 Ų50.266%0.65728%0.278SS*.Hα-helixtrans-60.2-44176.7-177.4177.1177.5161.61.1111.6D94 T99 I100D94-R96 PolarHBondContact O-N 2.93Å; D94-R96 VanDerWaalsContact O-N 3.16Å; D94-R96 VanDerWaalsContact OD1-CB 3.27Å; D94-R96 WeakPolarHBondContact OD1-CB 3.49Å; D94-R96 PolarHBondContact OD1-N 2.82Å; R96-T99 PolarHBondContact O-N 2.96Å; R96-I100 HydrophobicContact CG-CD1 3.84Å; R96-I100 WeakPolarHBondContact O-CB 3.35Å; R96-I100 VanDerWaalsContact O-CG1 3.22Å; R96-I100 WeakPolarHBondContact O-CG1 3.4Å; R96-I100 PolarHBondContact O-N 3.13Å
97L91.4Very high92.1Very high73 Ų7350.5 Ų50.538%0.38228%0.28SS..Hα-helixtrans-66.9-43.6177-69176.7000110.8P66 D94 V95 T99 I100 Y101P66-L97 HydrophobicContact CG-CB 4.1Å; P66-L97 HydrophobicContact CG-CD1 4.46Å; D94-L97 HydrophobicContact CB-CD1 4.46Å; D94-L97 HydrophobicContact CB-CG 4.43Å; D94-L97 WeakPolarHBondContact O-CA 3.36Å; D94-L97 WeakPolarHBondContact O-CB 3.18Å; D94-L97 PolarHBondContact O-N 3.39Å; V95-L97 VanDerWaalsContact C-N 3.35Å; V95-L97 PolarHBondContact O-N 3.47Å; L97-T99 VanDerWaalsContact C-N 3.3Å; L97-T99 PolarHBondContact O-N 2.8Å; L97-I100 PolarHBondContact O-N 3.28Å; L97-Y101 VanDerWaalsContact O-CD2 3.31Å; L97-Y101 WeakPolarHBondContact O-CD2 3.28Å; L97-Y101 PolarHBondContact O-N 3.1Å
98K91.7Very high91.9Very high47 Ų4750.5 Ų50.520%0.20428%0.28CS..Hα-helixtrans-54.3-47.4175.2-61.9-172.9175.8169.60111.4V89 P90 E91 S93 D94 V95 A102V89-K98 HydrophobicContact CG1-CB 3.97Å; V89-K98 HydrophobicContact CG1-CD 4.36Å; V89-K98 HydrophobicContact CG1-CG 3.59Å; P90-K98 VanDerWaalsContact O-CE 3.32Å; P90-K98 WeakPolarHBondContact O-CE 3.24Å; E91-K98 WeakPolarHBondContact O-CE 3.19Å; E91-K98 PolarHBondContact O-NZ 3.36Å; E91-K98 IonicContact OE1-NZ 3.37Å; E91-K98 PolarHBondContact OE1-NZ 3.22Å; S93-K98 VanDerWaalsContact O-CE 3.24Å; S93-K98 WeakPolarHBondContact O-CE 3.32Å; S93-K98 WeakPolarHBondContact OG-CE 3.43Å; S93-K98 WeakPolarHBondContact OG-CG 3.14Å; D94-K98 PolarHBondContact O-N 3.46Å; V95-K98 WeakPolarHBondContact O-CB 3.29Å; V95-K98 PolarHBondContact O-N 2.83Å; K98-A102 WeakPolarHBondContact O-CB 3.23Å; K98-A102 PolarHBondContact O-N 2.96Å
99T92.1Very high91.8Very high76 Ų7651.6 Ų51.647%0.46629%0.286SS..Hα-helixtrans-64-45.8178.5-56.30000112.1V95 R96 L97 Y101 A102 A103V95-T99 PolarHBondContact O-N 2.67Å; V95-T99 PolarHBondContact O-OG1 3.22Å; V95-T99 VanDerWaalsContact O-OG1 3.06Å; R96-T99 PolarHBondContact O-N 2.96Å; L97-T99 VanDerWaalsContact C-N 3.3Å; L97-T99 PolarHBondContact O-N 2.8Å; T99-Y101 PolarHBondContact O-N 3.41Å; T99-A102 PolarHBondContact O-N 3.32Å; T99-A103 VanDerWaalsContact O-CB 3.27Å; T99-A103 WeakPolarHBondContact O-CB 2.97Å; T99-A103 PolarHBondContact O-N 3.12Å
100I93.1Very high91.7Very high37 Ų3758.3 Ų58.319%0.1931%0.314CS..Hα-helixtrans-62.4-45-179.9-69.9167.6000110.7I7 I32 R96 L97 A103 T104I7-I100 HydrophobicContact CD1-CG2 3.63Å; I32-I100 HydrophobicContact CD1-CG2 3.67Å; I32-I100 HydrophobicContact CG2-CG2 4.17Å; R96-I100 HydrophobicContact CG-CD1 3.84Å; R96-I100 WeakPolarHBondContact O-CB 3.35Å; R96-I100 VanDerWaalsContact O-CG1 3.22Å; R96-I100 WeakPolarHBondContact O-CG1 3.4Å; R96-I100 PolarHBondContact O-N 3.13Å; L97-I100 PolarHBondContact O-N 3.28Å; I100-A103 PolarHBondContact O-N 3.38Å; I100-T104 VanDerWaalsContact O-CB 3.28Å; I100-T104 WeakPolarHBondContact O-CB 3.29Å; I100-T104 PolarHBondContact O-N 2.96Å; I100-T104 PolarHBondContact O-OG1 2.84Å
101Y93.9Very high91.6Very high9 Ų961.1 Ų61.14%0.03533%0.327CS..Hα-helixtrans-68.4-36.2178.3-84.6-98.2000112.3I31 I32 P66 Y68 L97 T99 K105I31-Y101 WeakPolarHBondContact CA-OH 3.4Å; I32-Y101 HydrophobicContact CB-CE2 4.09Å; I32-Y101 HydrophobicContact CD1-CD1 4.22Å; I32-Y101 HydrophobicContact CD1-CD2 4.11Å; I32-Y101 HydrophobicContact CD1-CE1 4.25Å; I32-Y101 HydrophobicContact CD1-CE2 4.18Å; I32-Y101 HydrophobicContact CD1-CG 4.15Å; I32-Y101 HydrophobicContact CG1-CE1 4.17Å; I32-Y101 HydrophobicContact CG1-CE2 4.31Å; I32-Y101 PolarHBondContact N-OH 3.49Å; P66-Y101 HydrophobicContact CB-CD1 4.02Å; P66-Y101 HydrophobicContact CB-CD2 3.81Å; P66-Y101 HydrophobicContact CB-CE1 4.13Å; P66-Y101 HydrophobicContact CB-CE2 3.9Å; P66-Y101 HydrophobicContact CB-CG 3.86Å; P66-Y101 HydrophobicContact CG-CD2 3.6Å; P66-Y101 HydrophobicContact CG-CE1 4.49Å; P66-Y101 HydrophobicContact CG-CE2 3.44Å; P66-Y101 VanDerWaalsContact CG-CE2 3.44Å; P66-Y101 HydrophobicContact CG-CG 4.19Å; P66-Y101 PolarHBondContact O-OH 2.76Å; P66-Y101 VanDerWaalsContact O-OH 3.11Å; Y68-Y101 HydrophobicContact CD1-CD1 4.4Å; Y68-Y101 HydrophobicContact CD2-CD1 4.11Å; Y68-Y101 HydrophobicContact CD2-CE1 4.04Å; Y68-Y101 AromaticContact CE1-CD1 3.89Å; Y68-Y101 HydrophobicContact CE1-CD1 3.89Å; Y68-Y101 AromaticContact CE2-CD1 3.55Å; Y68-Y101 HydrophobicContact CE2-CD1 3.55Å; Y68-Y101 AromaticContact CE2-CE1 3.77Å; Y68-Y101 HydrophobicContact CE2-CE1 3.77Å; Y68-Y101 AromaticContact CZ-CD1 3.45Å; Y68-Y101 VanDerWaalsContact CZ-CD1 3.45Å; Y68-Y101 VanDerWaalsContact OH-C 3.27Å; Y68-Y101 VanDerWaalsContact OH-CA 3.24Å; Y68-Y101 WeakPolarHBondContact OH-CA 3.41Å; Y68-Y101 PolarHBondContact OH-O 3.02Å; L97-Y101 VanDerWaalsContact O-CD2 3.31Å; L97-Y101 WeakPolarHBondContact O-CD2 3.28Å; L97-Y101 PolarHBondContact O-N 3.1Å; T99-Y101 PolarHBondContact O-N 3.41Å; Y101-K105 PolarHBondContact O-N 2.63Å
102A92.8Very high91.6Very high66 Ų6655 Ų5555%0.54530%0.298SS..Hα-helixtrans-65.1-45.1173.200000112K98 T99 T104 K105K98-A102 WeakPolarHBondContact O-CB 3.23Å; K98-A102 PolarHBondContact O-N 2.96Å; T99-A102 PolarHBondContact O-N 3.32Å; A102-T104 PolarHBondContact O-N 3.48Å; A102-K105 WeakPolarHBondContact O-CB 3.48Å
103A93.1Very high91.7Very high16 Ų1651.8 Ų51.813%0.13228%0.278CS..Hα-helixtrans-72.1-25.3-177.700000113.8L3 S5 T99 I100L3-A103 WeakPolarHBondContact O-CB 3.36Å; S5-A103 PolarHBondContact N-O 3.21Å; T99-A103 VanDerWaalsContact O-CB 3.27Å; T99-A103 WeakPolarHBondContact O-CB 2.97Å; T99-A103 PolarHBondContact O-N 3.12Å; I100-A103 PolarHBondContact O-N 3.38Å
104T93.5Very high91.8Very high0 Ų055.7 Ų55.70%030%0.299CS..Hα-helixtrans-91.9-14.9-178.6-45.90000112.8S5 I7 I32 I37 Y68 I100 A102 A106 T107 V108S5-T104 WeakPolarHBondContact CB-OG1 3.4Å; S5-T104 WeakPolarHBondContact OG-CB 3.45Å; S5-T104 PolarHBondContact OG-OG1 2.92Å; I7-T104 HydrophobicContact CB-CG2 3.8Å; I7-T104 HydrophobicContact CG2-CG2 3.84Å; I32-T104 HydrophobicContact CD1-CG2 3.91Å; I37-T104 HydrophobicContact CD1-CG2 4Å; I37-T104 HydrophobicContact CG1-CG2 4.2Å; Y68-T104 WeakPolarHBondContact OH-CB 3.34Å; I100-T104 VanDerWaalsContact O-CB 3.28Å; I100-T104 WeakPolarHBondContact O-CB 3.29Å; I100-T104 PolarHBondContact O-N 2.96Å; I100-T104 PolarHBondContact O-OG1 2.84Å; A102-T104 PolarHBondContact O-N 3.48Å; T104-A106 PolarHBondContact O-N 3.49Å; T104-T107 WeakPolarHBondContact O-CB 3.36Å; T104-T107 PolarHBondContact O-N 3.27Å; T104-V108 HydrophobicContact CG2-CG2 4.06Å; T104-V108 WeakPolarHBondContact O-CG2 3.29Å; T104-V108 PolarHBondContact O-N 2.98Å; T104-V108 VanDerWaalsContact O-N 3.08Å
105K93.8Very high91.9Very high39 Ų3955 Ų5517%0.1730%0.295CS..Hα-helixtrans-48.7-50.7-176.7-175.6-177.8173.2178.80113.3Y68 F85 C87 Y101 A102 T107 V108 L109 D120 T122Y68-K105 HydrophobicContact CE1-CB 4.4Å; Y68-K105 PolarHBondContact OH-N 3.48Å; F85-K105 HydrophobicContact CE1-CD 4.25Å; F85-K105 HydrophobicContact CE1-CG 3.7Å; F85-K105 HydrophobicContact CZ-CG 4.13Å; C87-K105 HydrophobicContact CB-CD 4.43Å; Y101-K105 PolarHBondContact O-N 2.63Å; A102-K105 WeakPolarHBondContact O-CB 3.48Å; K105-T107 VanDerWaalsContact C-N 3.3Å; K105-T107 PolarHBondContact O-N 3.17Å; K105-V108 PolarHBondContact O-N 3.18Å; K105-L109 HydrophobicContact CG-CD1 4.33Å; K105-L109 PolarHBondContact O-N 2.85Å; K105-L109 VanDerWaalsContact O-N 3.07Å; K105-D120 WeakPolarHBondContact CE-OD1 3.17Å; K105-D120 WeakPolarHBondContact CE-OD2 3.33Å; K105-D120 IonicContact NZ-OD1 2.75Å; K105-D120 PolarHBondContact NZ-OD1 3.43Å; K105-D120 IonicContact NZ-OD2 3.26Å; K105-D120 PolarHBondContact NZ-OD2 3.08Å; K105-T122 PolarHBondContact NZ-OG1 2.93Å; K105-T122 VanDerWaalsContact NZ-OG1 3.17Å
106A92.6Very high91.9Very high46 Ų4651.2 Ų51.238%0.3827%0.271SS..Hα-helixtrans-63.8-35.2-178.600000112.7T104 K110T104-A106 PolarHBondContact O-N 3.49Å; A106-K110 WeakPolarHBondContact O-CB 3.32Å; A106-K110 PolarHBondContact O-N 3.37Å; A106-K110 VanDerWaalsContact O-N 3.08Å
107T92Very high92Very high7 Ų744.4 Ų44.44%0.04325%0.247CC..Hα-helixtrans-68.5-42.1177.1-54.70000111.3I7 H8 T104 K105 K110 Q111I7-T107 VanDerWaalsContact O-CG2 3.28Å; I7-T107 WeakPolarHBondContact O-CG2 3.4Å; H8-T107 WeakPolarHBondContact ND1-CG2 3.48Å; T104-T107 WeakPolarHBondContact O-CB 3.36Å; T104-T107 PolarHBondContact O-N 3.27Å; K105-T107 VanDerWaalsContact C-N 3.3Å; K105-T107 PolarHBondContact O-N 3.17Å; T107-K110 PolarHBondContact O-N 2.76Å; T107-Q111 HydrophobicContact CG2-CG 4.41Å; T107-Q111 WeakPolarHBondContact O-CB 3.25Å; T107-Q111 WeakPolarHBondContact O-CG 3.3Å; T107-Q111 PolarHBondContact O-N 3.47Å
108V92.6Very high92.1Very high3 Ų346.3 Ų46.32%0.01825%0.252CS..Hα-helixtrans-62.5-46.6178.2178.80000110.6L30 I37 Y68 F70 F85 T104 K105 K110 Q111 F112L30-V108 HydrophobicContact CD2-CG1 4.22Å; I37-V108 HydrophobicContact CD1-CG2 3.5Å; I37-V108 HydrophobicContact CG1-CG2 4.01Å; Y68-V108 HydrophobicContact CD2-CG1 4.26Å; Y68-V108 HydrophobicContact CD2-CG2 3.93Å; Y68-V108 HydrophobicContact CE2-CG2 3.62Å; Y68-V108 HydrophobicContact CG-CG1 4.38Å; F70-V108 HydrophobicContact CE2-CG1 3.77Å; F70-V108 HydrophobicContact CZ-CG1 3.77Å; F85-V108 HydrophobicContact CE2-CG1 3.97Å; F85-V108 HydrophobicContact CZ-CG1 4.41Å; T104-V108 HydrophobicContact CG2-CG2 4.06Å; T104-V108 WeakPolarHBondContact O-CG2 3.29Å; T104-V108 PolarHBondContact O-N 2.98Å; T104-V108 VanDerWaalsContact O-N 3.08Å; K105-V108 PolarHBondContact O-N 3.18Å; V108-K110 PolarHBondContact O-N 2.98Å; V108-Q111 PolarHBondContact O-N 3.47Å; V108-F112 WeakPolarHBondContact O-CB 3.26Å; V108-F112 PolarHBondContact O-N 2.91Å
109L92.8Very high92.2Very high26 Ų2644.6 Ų44.614%0.13625%0.246CC..Hα-helixtrans-57.4-48.5175.3-76.9168.8000111.5F85 K105 Q111 F112 G113 D114 I117F85-L109 HydrophobicContact CB-CD2 3.84Å; F85-L109 HydrophobicContact CD1-CD1 4.28Å; F85-L109 HydrophobicContact CD1-CD2 3.63Å; F85-L109 HydrophobicContact CD1-CG 4.07Å; F85-L109 HydrophobicContact CD2-CD2 3.98Å; F85-L109 HydrophobicContact CE1-CD1 4.27Å; F85-L109 HydrophobicContact CE1-CD2 4.12Å; F85-L109 HydrophobicContact CE1-CG 4.06Å; F85-L109 HydrophobicContact CE2-CD2 4.39Å; F85-L109 HydrophobicContact CG-CD2 3.53Å; F85-L109 HydrophobicContact CG-CG 4.33Å; F85-L109 HydrophobicContact CZ-CD2 4.45Å; F85-L109 HydrophobicContact CZ-CG 4.28Å; K105-L109 HydrophobicContact CG-CD1 4.33Å; K105-L109 PolarHBondContact O-N 2.85Å; K105-L109 VanDerWaalsContact O-N 3.07Å; L109-Q111 PolarHBondContact O-N 3.03Å; L109-F112 PolarHBondContact O-N 3.45Å; L109-G113 CarbonylContact O-C 3.52Å; L109-G113 PolarHBondContact O-N 2.9Å; L109-D114 PolarHBondContact O-N 2.84Å; L109-I117 HydrophobicContact CD2-CB 4.43Å; L109-I117 HydrophobicContact CD2-CG1 3.79Å; L109-I117 HydrophobicContact CD2-CG2 4.19Å
110K90.9Very high92.3Very high162 Ų16244 Ų4470%0.70424%0.24SC*.Hα-helixtrans-63.4-40.5179.5-170.5178.6-178179.70112.9A106 T107 V108 F112 G113A106-K110 WeakPolarHBondContact O-CB 3.32Å; A106-K110 PolarHBondContact O-N 3.37Å; A106-K110 VanDerWaalsContact O-N 3.08Å; T107-K110 PolarHBondContact O-N 2.76Å; V108-K110 PolarHBondContact O-N 2.98Å; K110-F112 VanDerWaalsContact C-N 3.33Å; K110-G113 PolarHBondContact O-N 3.37Å
111Q88.7Confident92.3Very high62 Ų6242.7 Ų42.729%0.2923%0.233SC..Hα-helixtrans-70.5-30.6177.9-73.9-171.9-35.100112.5T107 V108 L109T107-Q111 HydrophobicContact CG2-CG 4.41Å; T107-Q111 WeakPolarHBondContact O-CB 3.25Å; T107-Q111 WeakPolarHBondContact O-CG 3.3Å; T107-Q111 PolarHBondContact O-N 3.47Å; V108-Q111 PolarHBondContact O-N 3.47Å; L109-Q111 PolarHBondContact O-N 3.03Å
112F90Very high92.3Very high2 Ų246.5 Ų46.51%0.00926%0.257CS..Hα-helixtrans-76.9-28.1172-166.5-93.6000112.8K21 L28 F70 W83 V108 L109 K110 L116 I117K21-F112 WeakPolarHBondContact CE-O 3.49Å; K21-F112 HydrophobicContact CG-CE2 4.06Å; K21-F112 HydrophobicContact CG-CZ 3.96Å; K21-F112 PolarHBondContact NZ-O 3.29Å; L28-F112 HydrophobicContact CD1-CE2 3.89Å; F70-F112 HydrophobicContact CB-CE2 4.3Å; F70-F112 HydrophobicContact CB-CZ 4.22Å; F70-F112 HydrophobicContact CD1-CB 4.46Å; F70-F112 AromaticContact CD1-CD1 3.62Å; F70-F112 HydrophobicContact CD1-CD1 3.62Å; F70-F112 HydrophobicContact CD1-CD2 4.01Å; F70-F112 AromaticContact CD1-CE1 3.72Å; F70-F112 HydrophobicContact CD1-CE1 3.72Å; F70-F112 HydrophobicContact CD1-CE2 4.12Å; F70-F112 AromaticContact CD1-CG 3.75Å; F70-F112 HydrophobicContact CD1-CG 3.75Å; F70-F112 AromaticContact CD1-CZ 3.96Å; F70-F112 HydrophobicContact CD1-CZ 3.96Å; F70-F112 AromaticContact CD2-CD2 3.97Å; F70-F112 HydrophobicContact CD2-CD2 3.97Å; F70-F112 HydrophobicContact CD2-CE2 4.18Å; F70-F112 HydrophobicContact CD2-CG 4.38Å; F70-F112 HydrophobicContact CE1-CB 3.59Å; F70-F112 AromaticContact CE1-CD1 3.45Å; F70-F112 HydrophobicContact CE1-CD1 3.45Å; F70-F112 VanDerWaalsContact CE1-CD1 3.45Å; F70-F112 AromaticContact CE1-CD2 3.92Å; F70-F112 HydrophobicContact CE1-CD2 3.92Å; F70-F112 HydrophobicContact CE1-CE1 4.06Å; F70-F112 HydrophobicContact CE1-CE2 4.49Å; F70-F112 AromaticContact CE1-CG 3.35Å; F70-F112 HydrophobicContact CE1-CG 3.35Å; F70-F112 HydrophobicContact CE2-CB 4.13Å; F70-F112 AromaticContact CE2-CD2 3.88Å; F70-F112 HydrophobicContact CE2-CD2 3.88Å; F70-F112 HydrophobicContact CE2-CG 4.03Å; F70-F112 HydrophobicContact CG-CD1 4.4Å; F70-F112 HydrophobicContact CG-CD2 4.02Å; F70-F112 HydrophobicContact CG-CE1 4.3Å; F70-F112 AromaticContact CG-CE2 3.94Å; F70-F112 HydrophobicContact CG-CE2 3.94Å; F70-F112 HydrophobicContact CG-CG 4.24Å; F70-F112 HydrophobicContact CG-CZ 4.07Å; F70-F112 HydrophobicContact CZ-CB 3.37Å; F70-F112 HydrophobicContact CZ-CD1 4.1Å; F70-F112 AromaticContact CZ-CD2 3.84Å; F70-F112 HydrophobicContact CZ-CD2 3.84Å; F70-F112 AromaticContact CZ-CG 3.49Å; F70-F112 HydrophobicContact CZ-CG 3.49Å; F70-F112 VanDerWaalsContact CZ-CG 3.49Å; W83-F112 HydrophobicContact CB-CE1 4.3Å; W83-F112 AromaticContact CD1-CE1 3.94Å; W83-F112 AromaticContact CD2-CE1 3.91Å; W83-F112 HydrophobicContact CD2-CE1 3.91Å; W83-F112 AromaticContact CD2-CZ 3.69Å; W83-F112 HydrophobicContact CD2-CZ 3.69Å; W83-F112 AromaticContact CE2-CZ 3.77Å; W83-F112 HydrophobicContact CE3-CE1 4.48Å; W83-F112 AromaticContact CE3-CZ 3.96Å; W83-F112 HydrophobicContact CE3-CZ 3.96Å; W83-F112 AromaticContact CG-CE1 3.8Å; W83-F112 HydrophobicContact CG-CE1 3.8Å; W83-F112 HydrophobicContact CG-CZ 4.11Å; W83-F112 HydrophobicContact CH2-CZ 4.34Å; W83-F112 HydrophobicContact CZ2-CZ 4.12Å; W83-F112 HydrophobicContact CZ3-CZ 4.26Å; V108-F112 WeakPolarHBondContact O-CB 3.26Å; V108-F112 PolarHBondContact O-N 2.91Å; L109-F112 PolarHBondContact O-N 3.45Å; K110-F112 VanDerWaalsContact C-N 3.33Å; F112-L116 HydrophobicContact CE1-CB 4.44Å; F112-L116 HydrophobicContact CE1-CD1 4.35Å; F112-I117 HydrophobicContact CD1-CD1 3.72Å; F112-I117 HydrophobicContact CE1-CD1 3.97Å
113G90Very high92.2Very high20 Ų2043.6 Ų43.621%0.20623%0.232CC..  trans100.995.3-173.300000109.2L109 K110 N115 L116L109-G113 CarbonylContact O-C 3.52Å; L109-G113 PolarHBondContact O-N 2.9Å; K110-G113 PolarHBondContact O-N 3.37Å; G113-N115 PolarHBondContact O-N 3.42Å; G113-L116 WeakPolarHBondContact O-CB 3.42Å; G113-L116 PolarHBondContact O-N 2.84Å
114D89.7Confident92.1Very high94 Ų9446 Ų4650%0.50324%0.243SC..G310 helixtrans-52.4-35.3176.249.12.4000113L109 L116 I117L109-D114 PolarHBondContact O-N 2.84Å; D114-L116 PolarHBondContact O-N 2.8Å; D114-L116 VanDerWaalsContact O-N 3.14Å; D114-I117 PolarHBondContact O-N 3.33Å
115N91.6Very high91.8Very high93 Ų9348.9 Ų48.950%0.49726%0.263SS..G310 helixtrans-61.7-18.6177-60.6-38.9000114.8N77 F79 G113N77-N115 PolarHBondContact ND2-O 3.42Å; F79-N115 HydrophobicContact CD1-CB 4.38Å; F79-N115 HydrophobicContact CD2-CB 3.75Å; F79-N115 HydrophobicContact CE2-CB 3.95Å; F79-N115 HydrophobicContact CG-CB 3.98Å; F79-N115 HydrophobicContact CZ-CB 4.34Å; G113-N115 PolarHBondContact O-N 3.42Å
116L92.1Very high91.3Very high24 Ų2449.5 Ų49.513%0.12627%0.27CS..G310 helixtrans-89.8-10.5177.1-64.6172000112.3K21 F79 W83 F112 G113 D114K21-L116 HydrophobicContact CD-CD1 4.02Å; F79-L116 HydrophobicContact CB-CD2 3.87Å; W83-L116 PolarHBondContact N-O 3.25Å; F112-L116 HydrophobicContact CE1-CB 4.44Å; F112-L116 HydrophobicContact CE1-CD1 4.35Å; G113-L116 WeakPolarHBondContact O-CB 3.42Å; G113-L116 PolarHBondContact O-N 2.84Å; D114-L116 PolarHBondContact O-N 2.8Å; D114-L116 VanDerWaalsContact O-N 3.14Å
117I93.9Very high90.7Very high30 Ų3049.8 Ų49.815%0.15428%0.277CS..EExtended strand (participates in β ladder)trans-92.5112.8-172.5-52.5-50.6000109.7F70 W83 F85 L109 F112 D114 D119F70-I117 HydrophobicContact CD1-CD1 3.78Å; F70-I117 HydrophobicContact CE1-CD1 3.68Å; W83-I117 HydrophobicContact CB-CD1 3.8Å; W83-I117 CarbonylContact O-C 3.5Å; W83-I117 WeakPolarHBondContact O-CA 3.48Å; F85-I117 HydrophobicContact CB-CD1 4.42Å; F85-I117 HydrophobicContact CB-CG2 3.77Å; L109-I117 HydrophobicContact CD2-CB 4.43Å; L109-I117 HydrophobicContact CD2-CG1 3.79Å; L109-I117 HydrophobicContact CD2-CG2 4.19Å; F112-I117 HydrophobicContact CD1-CD1 3.72Å; F112-I117 HydrophobicContact CE1-CD1 3.97Å; D114-I117 PolarHBondContact O-N 3.33Å; I117-D119 WeakPolarHBondContact CG2-O 3.31Å
118K93.5Very high90Very high113 Ų11353.9 Ų53.949%0.49130%0.296SS..EExtended strand (participates in β ladder)trans-81-41.1175.5-175178.7-171.4167.30111.6L73 S75 D82 W83L73-K118 HydrophobicContact CD1-CB 4.46Å; L73-K118 HydrophobicContact CD1-CD 3.61Å; S75-K118 PolarHBondContact OG-NZ 3.5Å; D82-K118 HydrophobicContact CB-CB 4.04Å; D82-K118 HydrophobicContact CB-CD 4.15Å; D82-K118 IonicContact OD2-NZ 2.8Å; W83-K118 PolarHBondContact O-N 2.73Å
119D93.5Very high89.6Confident12 Ų1254.1 Ų54.16%0.06430%0.297CS..EExtended strand (participates in β ladder)trans-133.7127.6-177-75.1-60.5000111.4I84 F85 I117 I121 Y134 M138 K141I84-D119 CarbonylContact C-O 3.56Å; I84-D119 WeakPolarHBondContact CA-O 3.34Å; I84-D119 HydrophobicContact CG1-CB 4.36Å; I84-D119 HydrophobicContact CG2-CB 4.07Å; F85-D119 PolarHBondContact N-O 3.48Å; I117-D119 WeakPolarHBondContact CG2-O 3.31Å; D119-I121 HydrophobicContact CB-CD1 4.48Å; D119-I121 HydrophobicContact CB-CG1 4.42Å; D119-Y134 HydrophobicContact CB-CE2 4.35Å; D119-Y134 PolarHBondContact OD2-OH 3.14Å; D119-M138 HydrophobicContact CB-CE 4.3Å; D119-M138 VanDerWaalsContact OD1-CE 3.31Å; D119-M138 WeakPolarHBondContact OD1-CE 3.47Å; D119-K141 IonicContact OD1-NZ 3.76Å; D119-K141 PolarHBondContact OD1-NZ 2.99Å
120D94.2Very high89.5Confident64 Ų6455.5 Ų55.534%0.34230%0.304SS..EExtended strand (participates in β ladder)trans-105.6119.3167.9177.12.8000108.9F85 K105F85-D120 WeakPolarHBondContact CD1-OD1 3.35Å; K105-D120 WeakPolarHBondContact CE-OD1 3.17Å; K105-D120 WeakPolarHBondContact CE-OD2 3.33Å; K105-D120 IonicContact NZ-OD1 2.75Å; K105-D120 PolarHBondContact NZ-OD1 3.43Å; K105-D120 IonicContact NZ-OD2 3.26Å; K105-D120 PolarHBondContact NZ-OD2 3.08Å
121I93.5Very high89.5Confident9 Ų949.2 Ų49.25%0.04628%0.278CS..EExtended strand (participates in β ladder)trans-128.5130.4-177-53.6178.5000109.3I84 F85 I86 C87 D119 I123 M129 Y134 I137 M138I84-I121 HydrophobicContact CG2-CD1 4.05Å; I84-I121 HydrophobicContact CG2-CG1 4.49Å; F85-I121 PolarHBondContact O-N 3.29Å; I86-I121 CarbonylContact C-O 3.57Å; I86-I121 WeakPolarHBondContact CA-O 3.31Å; C87-I121 PolarHBondContact N-O 3.39Å; D119-I121 HydrophobicContact CB-CD1 4.48Å; D119-I121 HydrophobicContact CB-CG1 4.42Å; I121-I123 HydrophobicContact CG2-CG2 4.04Å; I121-M129 HydrophobicContact CB-CE 4.42Å; I121-M129 HydrophobicContact CG2-CE 3.87Å; I121-Y134 HydrophobicContact CD1-CD2 3.43Å; I121-Y134 VanDerWaalsContact CD1-CD2 3.43Å; I121-Y134 HydrophobicContact CD1-CE2 3.63Å; I121-I137 HydrophobicContact CD1-CD1 4.45Å; I121-I137 HydrophobicContact CG2-CD1 3.96Å; I121-M138 HydrophobicContact CD1-CE 4.02Å
122T93.3Very high89.7Confident88 Ų8855.1 Ų55.154%0.5430%0.298SS..EExtended strand (participates in β ladder)trans-106.5129.7169.4-52.50000108.7C87 K105C87-T122 HydrophobicContact CB-CG2 4.34Å; C87-T122 WeakPolarHBondContact O-CA 3.47Å; K105-T122 PolarHBondContact NZ-OG1 2.93Å; K105-T122 VanDerWaalsContact NZ-OG1 3.17Å
123I92Very high89.8Confident5 Ų555.8 Ų55.83%0.02630%0.303CS..EExtended strand (participates in β ladder)trans-129.5147.1179.446.4160.9000110.7L61 I86 C87 Y88 V89 I121 E128 M129L61-I123 HydrophobicContact CD1-CD1 4Å; I86-I123 HydrophobicContact CG2-CD1 3.52Å; I86-I123 HydrophobicContact CG2-CG1 3.7Å; C87-I123 PolarHBondContact O-N 3.39Å; Y88-I123 WeakPolarHBondContact CA-O 3.29Å; Y88-I123 HydrophobicContact CD2-CD1 3.59Å; Y88-I123 HydrophobicContact CD2-CG1 3.8Å; Y88-I123 HydrophobicContact CG-CD1 4.16Å; Y88-I123 HydrophobicContact CG-CG1 4.41Å; V89-I123 PolarHBondContact N-O 3.34Å; I121-I123 HydrophobicContact CG2-CG2 4.04Å; I123-E128 HydrophobicContact CG2-CB 4.31Å; I123-M129 HydrophobicContact CB-CE 4.46Å; I123-M129 HydrophobicContact CD1-CB 3.5Å; I123-M129 VanDerWaalsContact CD1-CB 3.5Å; I123-M129 HydrophobicContact CD1-CE 3.79Å; I123-M129 HydrophobicContact CD1-CG 3.82Å; I123-M129 HydrophobicContact CG1-CE 4.13Å; I123-M129 HydrophobicContact CG2-CE 3.53Å
124N90.8Very high89.9Confident68 Ų6855.4 Ų55.436%0.36430%0.296SS..SBendtrans-115-11.2178.863.73000113.6V89 P90 E128V89-N124 VanDerWaalsContact O-CA 3.3Å; V89-N124 WeakPolarHBondContact O-CA 3.48Å; P90-N124 WeakPolarHBondContact CA-O 3.43Å; N124-E128 PolarHBondContact OD1-OE2 2.92Å
125C86.2Confident90Very high60 Ų6054.6 Ų54.641%0.40529%0.288SS..  trans-130.3137.9-178.7-177.80000110.6G127 E128C125-G127 PolarHBondContact O-N 3.46Å; C125-E128 HydrophobicContact CB-CB 4.49Å; C125-E128 HydrophobicContact CB-CG 3.97Å; C125-E128 WeakPolarHBondContact O-CB 3.29Å; C125-E128 PolarHBondContact O-N 2.95Å; C125-E128 VanDerWaalsContact O-N 3.14Å
126V83.5Confident90Very high52 Ų5257 Ų5732%0.31529%0.29SS..G310 helixtrans-61.5-35.4178.8-174.60000110.9L61 A63 Y88 E128 M129L61-V126 HydrophobicContact CB-CG1 4.13Å; L61-V126 HydrophobicContact CB-CG2 4.45Å; L61-V126 HydrophobicContact CD1-CG1 4.43Å; A63-V126 HydrophobicContact CB-CG2 4.38Å; Y88-V126 HydrophobicContact CE2-CG2 4.15Å; Y88-V126 WeakPolarHBondContact OH-CG2 3.49Å; V126-E128 PolarHBondContact O-N 3.14Å; V126-M129 PolarHBondContact O-N 3.06Å
127G80Confident89.9Confident52 Ų5258.5 Ų58.554%0.53630%0.298SS..G310 helixtrans-67.3-17.317900000114.4C125 M129 N130C125-G127 PolarHBondContact O-N 3.46Å; G127-M129 VanDerWaalsContact C-N 3.3Å; G127-N130 PolarHBondContact O-ND2 3.18Å
128E77.8Confident89.8Confident93 Ų9358.9 Ų58.944%0.43530%0.299SS..G310 helixtrans-83.1-5.4177.2-68.7-177174.400113.2I123 N124 C125 V126 A133I123-E128 HydrophobicContact CG2-CB 4.31Å; N124-E128 PolarHBondContact OD1-OE2 2.92Å; C125-E128 HydrophobicContact CB-CB 4.49Å; C125-E128 HydrophobicContact CB-CG 3.97Å; C125-E128 WeakPolarHBondContact O-CB 3.29Å; C125-E128 PolarHBondContact O-N 2.95Å; C125-E128 VanDerWaalsContact O-N 3.14Å; V126-E128 PolarHBondContact O-N 3.14Å; E128-A133 WeakPolarHBondContact O-CB 3.3Å
129M84.2Confident89.6Confident8 Ų859.6 Ų59.64%0.03930%0.304CS..  trans-118.169.4-178.3-168.152.869.800111.6F53 M57 L61 I86 I121 I123 V126 G127F53-M129 HydrophobicContact CE1-CG 4.35Å; F53-M129 HydrophobicContact CE1-SD 3.83Å; F53-M129 HydrophobicContact CZ-CG 4.5Å; F53-M129 HydrophobicContact CZ-SD 3.57Å; F53-M129 VanDerWaalsContact CZ-SD 3.57Å; M57-M129 HydrophobicContact CB-CG 4.42Å; M57-M129 HydrophobicContact CG-CG 3.88Å; M57-M129 HydrophobicContact SD-CG 3.82Å; L61-M129 HydrophobicContact CD1-CB 3.8Å; L61-M129 HydrophobicContact CD1-CG 3.96Å; I86-M129 HydrophobicContact CB-CE 4.42Å; I86-M129 HydrophobicContact CD1-CE 3.9Å; I86-M129 HydrophobicContact CD1-CG 4.16Å; I86-M129 HydrophobicContact CD1-SD 3.67Å; I86-M129 HydrophobicContact CG1-CE 3.85Å; I86-M129 HydrophobicContact CG1-SD 4.3Å; I86-M129 HydrophobicContact CG2-CE 3.73Å; I121-M129 HydrophobicContact CB-CE 4.42Å; I121-M129 HydrophobicContact CG2-CE 3.87Å; I123-M129 HydrophobicContact CB-CE 4.46Å; I123-M129 HydrophobicContact CD1-CB 3.5Å; I123-M129 VanDerWaalsContact CD1-CB 3.5Å; I123-M129 HydrophobicContact CD1-CE 3.79Å; I123-M129 HydrophobicContact CD1-CG 3.82Å; I123-M129 HydrophobicContact CG1-CE 4.13Å; I123-M129 HydrophobicContact CG2-CE 3.53Å; V126-M129 PolarHBondContact O-N 3.06Å; G127-M129 VanDerWaalsContact C-N 3.3Å
130N89.6Confident89.4Confident55 Ų5563.3 Ų63.329%0.29433%0.331SS..SBendtrans-120.5166.5164.257.860.7000109.2D54 G127 R132 A133 Y134D54-N130 WeakPolarHBondContact OD1-CA 3.41Å; D54-N130 WeakPolarHBondContact OD1-CB 3.37Å; G127-N130 PolarHBondContact O-ND2 3.18Å; N130-R132 PolarHBondContact O-N 3.43Å; N130-R132 WeakPolarHBondContact OD1-CB 3.42Å; N130-R132 PolarHBondContact OD1-N 3.19Å; N130-A133 PolarHBondContact O-N 2.92Å; N130-A133 WeakPolarHBondContact OD1-CB 3.47Å; N130-A133 PolarHBondContact OD1-N 3.23Å; N130-Y134 PolarHBondContact O-N 3.06Å
131L91.5Very high89.1Confident29 Ų2965.5 Ų65.515%0.15234%0.337CS..Hα-helixtrans-55.5-39-177.2-177.565.2000112.1W49 E50 F53 D54 Y134 K135W49-L131 HydrophobicContact CH2-CD1 4.05Å; W49-L131 HydrophobicContact CZ3-CD1 3.81Å; E50-L131 HydrophobicContact CB-CD1 4.31Å; E50-L131 HydrophobicContact CB-CD2 3.97Å; E50-L131 HydrophobicContact CG-CD1 4.27Å; F53-L131 HydrophobicContact CB-CD1 4.28Å; F53-L131 HydrophobicContact CD1-CB 4.21Å; F53-L131 HydrophobicContact CG-CD1 4.31Å; D54-L131 PolarHBondContact OD1-N 3.41Å; L131-Y134 PolarHBondContact O-N 3.44Å; L131-K135 HydrophobicContact CG-CD 4.44Å; L131-K135 WeakPolarHBondContact O-CG 3.35Å; L131-K135 PolarHBondContact O-N 3.25Å
132R92.4Very high88.8Confident187 Ų18770.9 Ų70.971%0.70637%0.371SS*.Hα-helixtrans-65.4-41.8178.7-176.3-178.2-177.1-171.20.8111.9N130 R136N130-R132 PolarHBondContact O-N 3.43Å; N130-R132 WeakPolarHBondContact OD1-CB 3.42Å; N130-R132 PolarHBondContact OD1-N 3.19Å; R132-R136 PolarHBondContact O-N 3.44Å
133A91.7Very high88.6Confident16 Ų1669 Ų6913%0.13237%0.365CS..Hα-helixtrans-68.5-42.5177.500000111E128 N130 K135 R136 I137E128-A133 WeakPolarHBondContact O-CB 3.3Å; N130-A133 PolarHBondContact O-N 2.92Å; N130-A133 WeakPolarHBondContact OD1-CB 3.47Å; N130-A133 PolarHBondContact OD1-N 3.23Å; A133-K135 PolarHBondContact O-N 3.45Å; A133-R136 WeakPolarHBondContact O-CB 3.49Å; A133-R136 PolarHBondContact O-N 3.35Å; A133-I137 VanDerWaalsContact O-CG1 3.31Å; A133-I137 WeakPolarHBondContact O-CG1 3.47Å; A133-I137 PolarHBondContact O-N 3.24Å
134Y92.2Very high88.2Confident11 Ų1174.3 Ų74.34%0.04340%0.399CS..Hα-helixtrans-56.4-50.6172.7173.4-106.6000111.6W49 F53 I84 D119 I121 N130 L131 R136 I137 M138W49-Y134 HydrophobicContact CH2-CD1 4.04Å; W49-Y134 AromaticContact CH2-CE1 3.65Å; W49-Y134 HydrophobicContact CH2-CE1 3.65Å; W49-Y134 AromaticContact CZ3-CD1 3.97Å; W49-Y134 HydrophobicContact CZ3-CD1 3.97Å; W49-Y134 AromaticContact CZ3-CE1 3.73Å; W49-Y134 HydrophobicContact CZ3-CE1 3.73Å; F53-Y134 HydrophobicContact CZ-CG 4.28Å; I84-Y134 HydrophobicContact CD1-CD1 4.49Å; I84-Y134 HydrophobicContact CD1-CD2 4.09Å; I84-Y134 HydrophobicContact CD1-CE1 3.92Å; I84-Y134 HydrophobicContact CD1-CE2 3.47Å; I84-Y134 VanDerWaalsContact CD1-CE2 3.47Å; I84-Y134 HydrophobicContact CG1-CE2 4.01Å; I84-Y134 HydrophobicContact CG2-CE2 4.18Å; D119-Y134 HydrophobicContact CB-CE2 4.35Å; D119-Y134 PolarHBondContact OD2-OH 3.14Å; I121-Y134 HydrophobicContact CD1-CD2 3.43Å; I121-Y134 VanDerWaalsContact CD1-CD2 3.43Å; I121-Y134 HydrophobicContact CD1-CE2 3.63Å; N130-Y134 PolarHBondContact O-N 3.06Å; L131-Y134 PolarHBondContact O-N 3.44Å; Y134-R136 VanDerWaalsContact C-N 3.3Å; Y134-R136 PolarHBondContact O-N 3.06Å; Y134-I137 WeakPolarHBondContact O-CB 3.46Å; Y134-I137 PolarHBondContact O-N 3.46Å; Y134-I137 VanDerWaalsContact O-N 3.08Å; Y134-M138 HydrophobicContact CD1-CG 4.44Å; Y134-M138 HydrophobicContact CD2-CE 4.08Å; Y134-M138 HydrophobicContact CD2-CG 4.48Å; Y134-M138 HydrophobicContact CE1-CG 3.97Å; Y134-M138 HydrophobicContact CE2-CE 3.57Å; Y134-M138 HydrophobicContact CE2-CG 3.99Å; Y134-M138 HydrophobicContact CE2-SD 3.89Å; Y134-M138 WeakPolarHBondContact O-CG 3.44Å; Y134-M138 PolarHBondContact O-N 3.3Å
135K92.7Very high87.9Confident77 Ų7772.8 Ų72.834%0.33540%0.399SS..Hα-helixtrans-57.7-41.4177.1-73.8-177.7177.4-176.30112.1E50 L131 A133 I137 M138 E139E50-K135 WeakPolarHBondContact OE1-CE 3.44Å; E50-K135 IonicContact OE1-NZ 2.94Å; E50-K135 PolarHBondContact OE1-NZ 2.91Å; E50-K135 IonicContact OE2-NZ 2.76Å; E50-K135 PolarHBondContact OE2-NZ 3.34Å; L131-K135 HydrophobicContact CG-CD 4.44Å; L131-K135 WeakPolarHBondContact O-CG 3.35Å; L131-K135 PolarHBondContact O-N 3.25Å; A133-K135 PolarHBondContact O-N 3.45Å; K135-I137 PolarHBondContact O-N 3.23Å; K135-M138 WeakPolarHBondContact O-CB 3.46Å; K135-M138 PolarHBondContact O-N 3.01Å; K135-E139 WeakPolarHBondContact O-CG 3.43Å; K135-E139 PolarHBondContact O-N 3.43Å
136R92Very high87.9Confident145 Ų14576.4 Ų76.455%0.54742%0.422SS..Hα-helixtrans-62.9-39.8174.8-172.4-173.2-64.1162.8-1112.9R132 A133 Y134 M138 E139 S140R132-R136 PolarHBondContact O-N 3.44Å; A133-R136 WeakPolarHBondContact O-CB 3.49Å; A133-R136 PolarHBondContact O-N 3.35Å; Y134-R136 VanDerWaalsContact C-N 3.3Å; Y134-R136 PolarHBondContact O-N 3.06Å; R136-M138 VanDerWaalsContact C-N 3.3Å; R136-E139 PolarHBondContact O-N 2.98Å; R136-S140 WeakPolarHBondContact O-CB 3.38Å; R136-S140 PolarHBondContact O-N 3.02Å
137I89.6Confident88.1Confident55 Ų5581.7 Ų81.728%0.28244%0.438SS..Hα-helixtrans-63.1-41.6175.7-64.4164.1000109.5I121 A133 Y134 K135 S140 K141I121-I137 HydrophobicContact CD1-CD1 4.45Å; I121-I137 HydrophobicContact CG2-CD1 3.96Å; A133-I137 VanDerWaalsContact O-CG1 3.31Å; A133-I137 WeakPolarHBondContact O-CG1 3.47Å; A133-I137 PolarHBondContact O-N 3.24Å; Y134-I137 WeakPolarHBondContact O-CB 3.46Å; Y134-I137 PolarHBondContact O-N 3.46Å; Y134-I137 VanDerWaalsContact O-N 3.08Å; K135-I137 PolarHBondContact O-N 3.23Å; I137-S140 PolarHBondContact O-N 3.06Å; I137-K141 WeakPolarHBondContact O-CG 3.48Å; I137-K141 PolarHBondContact O-N 3.4Å
138M91.1Very high88.6Confident38 Ų3883 Ų8319%0.18744%0.435CS..Hα-helixtrans-63.7-45.8176.9-62.9-55102.300112.2D119 I121 Y134 K135 R136 S140 K141 T142D119-M138 HydrophobicContact CB-CE 4.3Å; D119-M138 VanDerWaalsContact OD1-CE 3.31Å; D119-M138 WeakPolarHBondContact OD1-CE 3.47Å; I121-M138 HydrophobicContact CD1-CE 4.02Å; Y134-M138 HydrophobicContact CD1-CG 4.44Å; Y134-M138 HydrophobicContact CD2-CE 4.08Å; Y134-M138 HydrophobicContact CD2-CG 4.48Å; Y134-M138 HydrophobicContact CE1-CG 3.97Å; Y134-M138 HydrophobicContact CE2-CE 3.57Å; Y134-M138 HydrophobicContact CE2-CG 3.99Å; Y134-M138 HydrophobicContact CE2-SD 3.89Å; Y134-M138 WeakPolarHBondContact O-CG 3.44Å; Y134-M138 PolarHBondContact O-N 3.3Å; K135-M138 WeakPolarHBondContact O-CB 3.46Å; K135-M138 PolarHBondContact O-N 3.01Å; R136-M138 VanDerWaalsContact C-N 3.3Å; M138-S140 VanDerWaalsContact C-N 3.29Å; M138-S140 PolarHBondContact O-N 3.42Å; M138-K141 HydrophobicContact CE-CD 4.03Å; M138-K141 PolarHBondContact O-N 3.35Å; M138-K141 VanDerWaalsContact O-N 3.12Å; M138-K141 HydrophobicContact SD-CD 4.47Å; M138-T142 PolarHBondContact O-N 3.03Å; M138-T142 VanDerWaalsContact O-N 3.12Å; M138-T142 PolarHBondContact O-OG1 2.9Å
139E90.7Very high89.2Confident128 Ų12882.7 Ų82.760%0.59845%0.449SS*.Hα-helixtrans-56.7-44.1174.2-72.5168.2-176.400111.3K135 R136 K141 T142 A143K135-E139 WeakPolarHBondContact O-CG 3.43Å; K135-E139 PolarHBondContact O-N 3.43Å; R136-E139 PolarHBondContact O-N 2.98Å; E139-K141 VanDerWaalsContact C-N 3.33Å; E139-K141 PolarHBondContact O-N 3.49Å; E139-T142 WeakPolarHBondContact CA-OG1 3.25Å; E139-T142 PolarHBondContact O-N 3.38Å; E139-T142 PolarHBondContact O-OG1 2.98Å; E139-A143 PolarHBondContact O-N 3.03Å
140S89.2Confident89.6Confident89 Ų8985.2 Ų85.262%0.62247%0.471SS*.Hα-helixtrans-65.6-31.3177.4-174.20000113.4R136 I137 M138R136-S140 WeakPolarHBondContact O-CB 3.38Å; R136-S140 PolarHBondContact O-N 3.02Å; I137-S140 PolarHBondContact O-N 3.06Å; M138-S140 VanDerWaalsContact C-N 3.29Å; M138-S140 PolarHBondContact O-N 3.42Å
141K87.4Confident89.7Confident110 Ų11087.3 Ų87.348%0.47848%0.479SS..Hα-helixtrans-70.9-33.1174.2-74.5-176.9-177.4-177.10112D119 I137 M138 E139D119-K141 IonicContact OD1-NZ 3.76Å; D119-K141 PolarHBondContact OD1-NZ 2.99Å; I137-K141 WeakPolarHBondContact O-CG 3.48Å; I137-K141 PolarHBondContact O-N 3.4Å; M138-K141 HydrophobicContact CE-CD 4.03Å; M138-K141 PolarHBondContact O-N 3.35Å; M138-K141 VanDerWaalsContact O-N 3.12Å; M138-K141 HydrophobicContact SD-CD 4.47Å; E139-K141 VanDerWaalsContact C-N 3.33Å; E139-K141 PolarHBondContact O-N 3.49Å
142T87.9Confident89.6Confident122 Ų12290.1 Ų90.175%0.74850%0.497SS*.Hα-helixtrans-84.2-16.8178.254.70000113.8M138 E139M138-T142 PolarHBondContact O-N 3.03Å; M138-T142 VanDerWaalsContact O-N 3.12Å; M138-T142 PolarHBondContact O-OG1 2.9Å; E139-T142 WeakPolarHBondContact CA-OG1 3.25Å; E139-T142 PolarHBondContact O-N 3.38Å; E139-T142 PolarHBondContact O-OG1 2.98Å
143A88Confident89.5Confident50 Ų5087.6 Ų87.641%0.41349%0.493SS..SBendtrans-63148.8176.100000110.8E139 G145E139-A143 PolarHBondContact O-N 3.03Å; A143-G145 PolarHBondContact O-N 3.47Å
144P84.6Confident89.4Confident115 Ų11591.4 Ų91.475%0.74752%0.515SS*.PPolyproline II helixtrans-56.9132.3175.324.4-33.3000109.7
145G84.3Confident89.2Confident36 Ų3693.9 Ų93.937%0.37154%0.538SS..PPolyproline II helixtrans-57.3155.217600000111.4A143 Y147A143-G145 PolarHBondContact O-N 3.47Å; G145-Y147 WeakPolarHBondContact O-CD2 3.35Å; G145-Y147 WeakPolarHBondContact O-CE2 3.49Å; G145-Y147 PolarHBondContact O-N 3.44Å
146P86.5Confident88.9Confident137 Ų13792.3 Ų92.389%0.8954%0.543SS*.  trans-68.5104.517528.6-32.6000109
147Y86.9Confident88.6Confident163 Ų16389.9 Ų89.964%0.63954%0.54SS*.  trans-91140.8173.6-64.7-74.8000110.8G145 E151G145-Y147 WeakPolarHBondContact O-CD2 3.35Å; G145-Y147 WeakPolarHBondContact O-CE2 3.49Å; G145-Y147 PolarHBondContact O-N 3.44Å; Y147-E151 HydrophobicContact CD1-CB 4.27Å
148T90.3Very high88.2Confident78 Ų7893.2 Ų93.248%0.47955%0.554SS.*  trans-72.7154.9167.562.60000110.4A150 E151 V152T148-A150 PolarHBondContact O-N 3.31Å; T148-E151 WeakPolarHBondContact CB-OE2 3.38Å; T148-E151 PolarHBondContact N-OE2 3.31Å; T148-E151 PolarHBondContact O-N 2.96Å; T148-E151 VanDerWaalsContact OG1-CD 3.23Å; T148-E151 VanDerWaalsContact OG1-CG 3.25Å; T148-E151 WeakPolarHBondContact OG1-CG 3.34Å; T148-E151 PolarHBondContact OG1-N 3.48Å; T148-E151 PolarHBondContact OG1-OE2 3Å; T148-V152 PolarHBondContact O-N 3.06Å; T148-V152 VanDerWaalsContact O-N 3.13Å
149A91.4Very high87.9Confident88 Ų8894.3 Ų94.373%0.72757%0.569SS**Hα-helixtrans-55.3-35.8177.500000112.4V152 E153A149-V152 PolarHBondContact O-N 3.03Å; A149-E153 PolarHBondContact O-N 3.18Å
150A91.4Very high87.2Confident60 Ų6089.7 Ų89.750%0.49656%0.556SS.*Hα-helixtrans-66.6-41.1176.800000112.8T148 V152 E153 V154T148-A150 PolarHBondContact O-N 3.31Å; A150-V152 VanDerWaalsContact C-N 3.33Å; A150-V152 PolarHBondContact O-N 3.41Å; A150-E153 PolarHBondContact O-N 3.01Å; A150-V154 WeakPolarHBondContact O-CG2 3.34Å; A150-V154 PolarHBondContact O-N 3.11Å
151E91.3Very high86.8Confident99 Ų9990.9 Ų90.946%0.46355%0.552SS.*Hα-helixtrans-65.5-38.1176.9-73162.8143.800111.7Y147 T148 V154 A155Y147-E151 HydrophobicContact CD1-CB 4.27Å; T148-E151 WeakPolarHBondContact CB-OE2 3.38Å; T148-E151 PolarHBondContact N-OE2 3.31Å; T148-E151 PolarHBondContact O-N 2.96Å; T148-E151 VanDerWaalsContact OG1-CD 3.23Å; T148-E151 VanDerWaalsContact OG1-CG 3.25Å; T148-E151 WeakPolarHBondContact OG1-CG 3.34Å; T148-E151 PolarHBondContact OG1-N 3.48Å; T148-E151 PolarHBondContact OG1-OE2 3Å; E151-V154 PolarHBondContact O-N 3.49Å; E151-A155 WeakPolarHBondContact O-CB 3.49Å; E151-A155 PolarHBondContact O-N 3Å
152V90Very high86Confident88 Ų8890.5 Ų90.553%0.53356%0.559SS.*Hα-helixtrans-63.9-42.3175177.70000111T148 A149 A150 A155 G156T148-V152 PolarHBondContact O-N 3.06Å; T148-V152 VanDerWaalsContact O-N 3.13Å; A149-V152 PolarHBondContact O-N 3.03Å; A150-V152 VanDerWaalsContact C-N 3.33Å; A150-V152 PolarHBondContact O-N 3.41Å; V152-A155 PolarHBondContact O-N 3.03Å; V152-G156 PolarHBondContact O-N 3.21Å
153E89.3Confident85.1Confident134 Ų13489 Ų8963%0.62655%0.55SS*.Hα-helixtrans-63-47.6177.3-173179.6176.600111.8A149 A150 A155 G156 I157A149-E153 PolarHBondContact O-N 3.18Å; A150-E153 PolarHBondContact O-N 3.01Å; E153-A155 VanDerWaalsContact C-N 3.35Å; E153-A155 PolarHBondContact O-N 2.81Å; E153-G156 WeakPolarHBondContact O-CA 3.43Å; E153-G156 PolarHBondContact O-N 2.8Å; E153-G156 VanDerWaalsContact O-N 3.11Å; E153-I157 HydrophobicContact CG-CD1 4.42Å; E153-I157 WeakPolarHBondContact O-CG1 3.05Å; E153-I157 PolarHBondContact O-N 3.41Å
154V90.5Very high83.9Confident97 Ų9791.3 Ų91.359%0.58856%0.559SS**Hα-helixtrans-61.5-42.7178.3171.90000111.4A150 E151 G156 I157 H158A150-V154 WeakPolarHBondContact O-CG2 3.34Å; A150-V154 PolarHBondContact O-N 3.11Å; E151-V154 PolarHBondContact O-N 3.49Å; V154-G156 VanDerWaalsContact C-N 3.28Å; V154-G156 PolarHBondContact O-N 3.47Å; V154-I157 PolarHBondContact O-N 2.95Å; V154-H158 PolarHBondContact O-N 3.36Å
155A87.4Confident82.8Confident63 Ų6388.4 Ų88.452%0.52155%0.549SS..Hα-helixtrans-61.8-37.9175.300000111.9E151 V152 E153 H158 A159E151-A155 WeakPolarHBondContact O-CB 3.49Å; E151-A155 PolarHBondContact O-N 3Å; V152-A155 PolarHBondContact O-N 3.03Å; E153-A155 VanDerWaalsContact C-N 3.35Å; E153-A155 PolarHBondContact O-N 2.81Å; A155-H158 PolarHBondContact O-N 2.96Å; A155-A159 WeakPolarHBondContact O-CB 3.47Å; A155-A159 PolarHBondContact O-N 3.32Å
156G87.5Confident81.8Confident44 Ų4493.2 Ų93.245%0.45457%0.566SS.*Hα-helixtrans-63.6-44.6174.500000113.4V152 E153 V154 A159 G160V152-G156 PolarHBondContact O-N 3.21Å; E153-G156 WeakPolarHBondContact O-CA 3.43Å; E153-G156 PolarHBondContact O-N 2.8Å; E153-G156 VanDerWaalsContact O-N 3.11Å; V154-G156 VanDerWaalsContact C-N 3.28Å; V154-G156 PolarHBondContact O-N 3.47Å; G156-A159 PolarHBondContact O-N 2.86Å; G156-G160 PolarHBondContact O-N 3.05Å
157I86.1Confident80.5Confident93 Ų9392.3 Ų92.348%0.47755%0.549SS..Hα-helixtrans-59.7-48.8175.6-66.9167.5000110E153 V154 A159 G160 E161E153-I157 HydrophobicContact CG-CD1 4.42Å; E153-I157 WeakPolarHBondContact O-CG1 3.05Å; E153-I157 PolarHBondContact O-N 3.41Å; V154-I157 PolarHBondContact O-N 2.95Å; I157-A159 VanDerWaalsContact C-N 3.33Å; I157-A159 PolarHBondContact O-N 3.14Å; I157-G160 WeakPolarHBondContact O-CA 3.38Å; I157-G160 PolarHBondContact O-N 3.24Å; I157-E161 HydrophobicContact CG2-CG 4.29Å; I157-E161 WeakPolarHBondContact O-CG 3.46Å; I157-E161 PolarHBondContact O-N 3.01Å
158H81.4Confident79.4Confident125 Ų12588.3 Ų88.358%0.57955%0.545SS*.Hα-helixtrans-60.9-42-179.1-172.760.1000112.3V154 A155 G160 E161 V162V154-H158 PolarHBondContact O-N 3.36Å; A155-H158 PolarHBondContact O-N 2.96Å; H158-G160 VanDerWaalsContact C-N 3.3Å; H158-G160 PolarHBondContact O-N 2.62Å; H158-E161 PolarHBondContact O-N 3.26Å; H158-V162 PolarHBondContact O-N 3.26Å
159A83Confident77.9Confident61 Ų6191.1 Ų91.150%0.50456%0.557SS.*Hα-helixtrans-62.7-37.3174.600000112.4A155 G156 I157 T163A155-A159 WeakPolarHBondContact O-CB 3.47Å; A155-A159 PolarHBondContact O-N 3.32Å; G156-A159 PolarHBondContact O-N 2.86Å; I157-A159 VanDerWaalsContact C-N 3.33Å; I157-A159 PolarHBondContact O-N 3.14Å; A159-T163 PolarHBondContact O-OG1 3.47Å
160G77.6Confident76.4Confident32 Ų3296.7 Ų96.733%0.3356%0.561SS.*Hα-helixtrans-67.4-40.9175.200000113.5G156 I157 H158 V162 T163 T164G156-G160 PolarHBondContact O-N 3.05Å; I157-G160 WeakPolarHBondContact O-CA 3.38Å; I157-G160 PolarHBondContact O-N 3.24Å; H158-G160 VanDerWaalsContact C-N 3.3Å; H158-G160 PolarHBondContact O-N 2.62Å; G160-V162 VanDerWaalsContact C-N 3.34Å; G160-V162 PolarHBondContact O-N 2.94Å; G160-T163 WeakPolarHBondContact O-CA 3.46Å; G160-T163 WeakPolarHBondContact O-CB 3.23Å; G160-T163 PolarHBondContact O-N 3.45Å; G160-T164 PolarHBondContact O-N 3.33Å; G160-T164 PolarHBondContact O-OG1 3.08Å
161E79.2Confident75Confident113 Ų113100.9 Ų100.953%0.52857%0.57SS.*Hα-helixtrans-61.1-39.5179.5-74.7178.2164.300113I157 H158 T163 T164 G165I157-E161 HydrophobicContact CG2-CG 4.29Å; I157-E161 WeakPolarHBondContact O-CG 3.46Å; I157-E161 PolarHBondContact O-N 3.01Å; H158-E161 PolarHBondContact O-N 3.26Å; E161-T163 PolarHBondContact O-N 3.34Å; E161-T164 WeakPolarHBondContact CA-OG1 3.28Å; E161-T164 PolarHBondContact O-N 3.03Å; E161-T164 PolarHBondContact O-OG1 2.89Å; E161-G165 PolarHBondContact O-N 2.94Å; E161-G165 VanDerWaalsContact O-N 3.14Å
162V71.5Confident73.6Confident102 Ų102101.3 Ų101.362%0.61858%0.58SS**Hα-helixtrans-58.8-33174.31760000111.1H158 G160H158-V162 PolarHBondContact O-N 3.26Å; G160-V162 VanDerWaalsContact C-N 3.34Å; G160-V162 PolarHBondContact O-N 2.94Å
163T70Confident72.4Confident92 Ų92105.1 Ų105.156%0.56460%0.595SS**Hα-helixtrans-80.2-41.8179.6-51.60000111.9A159 G160 E161 G165A159-T163 PolarHBondContact O-OG1 3.47Å; G160-T163 WeakPolarHBondContact O-CA 3.46Å; G160-T163 WeakPolarHBondContact O-CB 3.23Å; G160-T163 PolarHBondContact O-N 3.45Å; E161-T163 PolarHBondContact O-N 3.34Å; T163-G165 VanDerWaalsContact C-N 3.34Å; T163-G165 PolarHBondContact O-N 2.91Å
164T61.6Low71.3Confident98 Ų98101.8 Ų101.860%0.60160%0.597SS**Hα-helixtrans-74-22.3-175.755.90000113.7G160 E161 L166 H167G160-T164 PolarHBondContact O-N 3.33Å; G160-T164 PolarHBondContact O-OG1 3.08Å; E161-T164 WeakPolarHBondContact CA-OG1 3.28Å; E161-T164 PolarHBondContact O-N 3.03Å; E161-T164 PolarHBondContact O-OG1 2.89Å; T164-L166 PolarHBondContact O-N 3.07Å; T164-H167 PolarHBondContact O-N 3.08Å
165G61.1Low70.4Confident53 Ų5399.6 Ų99.655%0.54660%0.595SS.*THydrogen-bonded Turntrans-61.7-11.8175.600000115.4E161 T163E161-G165 PolarHBondContact O-N 2.94Å; E161-G165 VanDerWaalsContact O-N 3.14Å; T163-G165 VanDerWaalsContact C-N 3.34Å; T163-G165 PolarHBondContact O-N 2.91Å
166L63.2Low70.3Confident137 Ų13799.2 Ų99.272%0.71759%0.586SS**THydrogen-bonded Turntrans-79.7-16.4-176.8-67.3167.1000114.3T164T164-L166 PolarHBondContact O-N 3.07Å
167H60.8Low70.3Confident118 Ų118101.4 Ų101.455%0.54659%0.594SS.*  trans-102.3102.2-174.9-64.7-62.8000112.5T164 N169 Y170T164-H167 PolarHBondContact O-N 3.08Å; H167-N169 PolarHBondContact O-N 3.38Å; H167-Y170 HydrophobicContact CB-CD2 3.97Å; H167-Y170 HydrophobicContact CB-CE2 4.4Å
168S62.5Low70.6Confident79 Ų7997.6 Ų97.655%0.55257%0.574SS**G310 helixtrans-60.5-26.1177.857.40000114.1Y170 Q171S168-Y170 VanDerWaalsContact C-N 3.26Å; S168-Y170 PolarHBondContact O-N 3.28Å; S168-Q171 WeakPolarHBondContact O-CB 3.43Å; S168-Q171 PolarHBondContact O-N 3.01Å
169N59.2Low71Confident137 Ų13794 Ų9473%0.73357%0.566SS**G310 helixtrans-69.5-20.1-170.7-66.1-9000114H167H167-N169 PolarHBondContact O-N 3.38Å
170Y59.3Low71.5Confident206 Ų20691.6 Ų91.681%0.80855%0.545SS*.G310 helixtrans-94.6-2.6179-64.9-76.9000113.5H167 S168 T172H167-Y170 HydrophobicContact CB-CD2 3.97Å; H167-Y170 HydrophobicContact CB-CE2 4.4Å; S168-Y170 VanDerWaalsContact C-N 3.26Å; S168-Y170 PolarHBondContact O-N 3.28Å; Y170-T172 VanDerWaalsContact C-N 3.28Å; Y170-T172 PolarHBondContact O-N 3.24Å
171Q62.6Low72.1Confident147 Ų14790.7 Ų90.769%0.68753%0.533SS*.SBendtrans-76.7-15.4-176.3-64.8-175.3-13.800113.3S168S168-Q171 WeakPolarHBondContact O-CB 3.43Å; S168-Q171 PolarHBondContact O-N 3.01Å
172T61.8Low72.6Confident108 Ų10890.2 Ų90.266%0.66354%0.54SS*.SBendtrans-125.8133.4180610000111Y170 G174Y170-T172 VanDerWaalsContact C-N 3.28Å; Y170-T172 PolarHBondContact O-N 3.24Å; T172-G174 PolarHBondContact O-N 3.13Å
173I65Low73.5Confident168 Ų16891.5 Ų91.586%0.86254%0.543SS*.PPolyproline II helixtrans-57.8134.2167-60.2172000108G175I173-G175 PolarHBondContact O-N 3.45Å
174G65.8Low74.4Confident64 Ų6487.1 Ų87.166%0.6652%0.516SS*.PPolyproline II helixtrans-50.3136.4179.500000112.5T172T172-G174 PolarHBondContact O-N 3.13Å
175G71.3Confident75.8Confident52 Ų5286.5 Ų86.554%0.53650%0.503SS..PPolyproline II helixtrans-67.4146.7-177.800000112.8I173I173-G175 PolarHBondContact O-N 3.45Å
176V85.4Confident77.3Confident55 Ų5587 Ų8733%0.33350%0.498SS..PPolyproline II helixtrans-89128.5171.9176.10000108.1F178 S273 C274V176-F178 HydrophobicContact CG1-CD1 3.78Å; V176-F178 HydrophobicContact CG1-CE1 3.61Å; V176-S273 PolarHBondContact N-O 3.12Å; V176-C274 VanDerWaalsContact O-CA 3.3Å; V176-C274 WeakPolarHBondContact O-CA 3.3Å
177S87.5Confident78.7Confident90 Ų9083 Ų8363%0.62948%0.476SS*.  trans-11191.9-175.71780000111.7
178F92.3Very high80.2Confident13 Ų1377.4 Ų77.46%0.05745%0.45CS..PPolyproline II helixtrans-74144.2169.7-75.43.4000111.6V176 C203 E208 I210 L270V176-F178 HydrophobicContact CG1-CD1 3.78Å; V176-F178 HydrophobicContact CG1-CE1 3.61Å; F178-C203 HydrophobicContact CD2-CB 4.37Å; F178-C203 HydrophobicContact CE2-CB 4.49Å; F178-E208 WeakPolarHBondContact CA-O 3.49Å; F178-E208 VanDerWaalsContact CB-O 3.26Å; F178-E208 WeakPolarHBondContact CB-O 3.48Å; F178-E208 HydrophobicContact CD1-CB 3.91Å; F178-E208 HydrophobicContact CE1-CB 3.68Å; F178-E208 HydrophobicContact CE1-CG 3.88Å; F178-E208 HydrophobicContact CE2-CB 4.38Å; F178-E208 HydrophobicContact CG-CB 4.35Å; F178-E208 VanDerWaalsContact CG-O 3.31Å; F178-E208 WeakPolarHBondContact CG-O 3.44Å; F178-E208 HydrophobicContact CZ-CB 3.92Å; F178-E208 HydrophobicContact CZ-CG 3.89Å; F178-I210 HydrophobicContact CB-CD1 4.04Å; F178-I210 HydrophobicContact CB-CG1 3.78Å; F178-L270 HydrophobicContact CE1-CD2 4.29Å; F178-L270 HydrophobicContact CE2-CD1 4.44Å; F178-L270 HydrophobicContact CE2-CD2 4.46Å; F178-L270 HydrophobicContact CZ-CD1 4.12Å; F178-L270 HydrophobicContact CZ-CD2 3.72Å; F178-L270 HydrophobicContact CZ-CG 4.39Å
179A91.4Very high81.6Confident50 Ų5080.1 Ų80.141%0.41345%0.451SS..EExtended strand (participates in β ladder)trans-75.5140.2178.800000111.2E208 T209 I210A179-E208 PolarHBondContact N-O 3.07Å; A179-T209 CarbonylContact O-C 3.54Å; A179-T209 WeakPolarHBondContact O-CA 3.49Å; A179-T209 WeakPolarHBondContact O-CB 3.37Å; A179-I210 PolarHBondContact O-N 2.64Å
180L92.1Very high83.1Confident10 Ų1076 Ų765%0.05243%0.43CS..EExtended strand (participates in β ladder)trans-69.1133.6167.5-74.8169.1000109.3L188 I210 L278 R281 F286L180-L188 HydrophobicContact CD1-CD1 3.84Å; L180-L188 HydrophobicContact CD2-CD1 3.95Å; L180-I210 HydrophobicContact CD2-CB 4.07Å; L180-I210 HydrophobicContact CD2-CG2 4.05Å; L180-L278 HydrophobicContact CD2-CD1 4.1Å; L180-R281 HydrophobicContact CD1-CG 4.25Å; L180-F286 HydrophobicContact CD1-CE2 3.57Å; L180-F286 HydrophobicContact CD1-CZ 3.95Å
181S91.2Very high84.7Confident13 Ų1366.2 Ų66.29%0.09139%0.391CS..PPolyproline II helixtrans-62.6148.7172.872.80000110.6D183 S184 I210S181-D183 VanDerWaalsContact C-N 3.26Å; S181-D183 PolarHBondContact O-N 3.17Å; S181-S184 VanDerWaalsContact O-CB 3.32Å; S181-S184 WeakPolarHBondContact O-CB 3.39Å; S181-S184 PolarHBondContact O-N 3.06Å; S181-S184 PolarHBondContact OG-N 3.45Å; S181-S184 PolarHBondContact OG-OG 3.5Å; S181-I210 PolarHBondContact N-O 2.96Å
182P89.4Confident86.1Confident102 Ų10261.4 Ų61.466%0.66237%0.374SS*.THydrogen-bonded Turntrans-53.3-43.9-179.1-27.735.6000112.9S184 R185P182-S184 PolarHBondContact O-N 3.23Å; P182-R185 WeakPolarHBondContact O-CB 3.39Å; P182-R185 PolarHBondContact O-N 2.77Å
183D89.6Confident87.4Confident129 Ų12959.8 Ų59.869%0.6937%0.367SS*.THydrogen-bonded Turntrans-66.3-24.9-179.3-49.7-32.3000113S181 R185 S186S181-D183 VanDerWaalsContact C-N 3.26Å; S181-D183 PolarHBondContact O-N 3.17Å; D183-R185 PolarHBondContact O-N 2.77Å; D183-S186 PolarHBondContact O-OG 3.43Å
184S90.5Very high88.4Confident1 Ų152.6 Ų52.61%0.00733%0.334CS..Hα-helixtrans-69.3-25178-62.70000112.4S181 P182 L188 I210 K211 V212S181-S184 VanDerWaalsContact O-CB 3.32Å; S181-S184 WeakPolarHBondContact O-CB 3.39Å; S181-S184 PolarHBondContact O-N 3.06Å; S181-S184 PolarHBondContact OG-N 3.45Å; S181-S184 PolarHBondContact OG-OG 3.5Å; P182-S184 PolarHBondContact O-N 3.23Å; S184-L188 WeakPolarHBondContact O-CB 3.41Å; S184-L188 VanDerWaalsContact O-CG 3.23Å; S184-L188 WeakPolarHBondContact O-CG 3.4Å; S184-L188 PolarHBondContact O-N 2.84Å; S184-I210 PolarHBondContact OG-O 2.66Å; S184-K211 WeakPolarHBondContact OG-CA 3.24Å; S184-V212 PolarHBondContact OG-N 3.33Å
185R90.7Very high89.5Confident85 Ų8556.6 Ų56.632%0.32133%0.334SS..Hα-helixtrans-69.2-36.5-173.6-63.9172161.1-85.45.5112.3P182 D183 K189 E285 F286P182-R185 WeakPolarHBondContact O-CB 3.39Å; P182-R185 PolarHBondContact O-N 2.77Å; D183-R185 PolarHBondContact O-N 2.77Å; R185-K189 WeakPolarHBondContact O-CG 3.3Å; R185-K189 PolarHBondContact O-N 3.07Å; R185-K189 VanDerWaalsContact O-N 3.13Å; R185-E285 IonicContact CZ-OE1 2.75Å; R185-E285 VanDerWaalsContact CZ-OE1 3.24Å; R185-E285 IonicContact NH1-OE1 3.35Å; R185-E285 PolarHBondContact NH1-OE1 3.34Å; R185-E285 IonicContact NH1-OE2 2.77Å; R185-E285 IonicContact NH2-OE1 3.93Å; R185-E285 PolarHBondContact NH2-OE1 3.19Å; R185-E285 IonicContact NH2-OE2 2.85Å; R185-F286 HydrophobicContact CB-CE1 4.31Å; R185-F286 HydrophobicContact CB-CZ 4.31Å; R185-F286 HydrophobicContact CG-CZ 4.18Å
186S91.2Very high90.3Very high62 Ų6254.5 Ų54.543%0.43431%0.311SS..Hα-helixtrans-67.4-46.117748.50000111.3D183 L188 K189 N190D183-S186 PolarHBondContact O-OG 3.43Å; S186-L188 PolarHBondContact O-N 3.47Å; S186-K189 WeakPolarHBondContact O-CB 3.41Å; S186-K189 PolarHBondContact O-N 2.72Å; S186-N190 PolarHBondContact O-N 2.91Å
187E92.5Very high90.6Very high55 Ų5552.4 Ų52.426%0.25730%0.297SS..Hα-helixtrans-62.9-40.2178-66-57.4138.300112.2K189 N190 F191 V212 T215E187-K189 VanDerWaalsContact C-N 3.35Å; E187-K189 PolarHBondContact O-N 3.14Å; E187-N190 WeakPolarHBondContact O-CB 3.4Å; E187-N190 PolarHBondContact O-N 2.76Å; E187-F191 PolarHBondContact O-N 3.45Å; E187-V212 HydrophobicContact CB-CB 4.49Å; E187-V212 HydrophobicContact CB-CG1 4.12Å; E187-V212 HydrophobicContact CB-CG2 4.2Å; E187-V212 HydrophobicContact CG-CG1 4.15Å; E187-T215 HydrophobicContact CB-CG2 3.97Å; E187-T215 HydrophobicContact CG-CG2 4.09Å; E187-T215 WeakPolarHBondContact OE2-CB 3.32Å; E187-T215 WeakPolarHBondContact OE2-CG2 3.36Å; E187-T215 PolarHBondContact OE2-OG1 3.22Å
188L93Very high90.9Very high0 Ų048.2 Ų48.20%027%0.268CS..Hα-helixtrans-67.1-33.9175.6-71.2171.7000112.6L180 S184 S186 F191 S192 V199 L237 L282 F286L180-L188 HydrophobicContact CD1-CD1 3.84Å; L180-L188 HydrophobicContact CD2-CD1 3.95Å; S184-L188 WeakPolarHBondContact O-CB 3.41Å; S184-L188 VanDerWaalsContact O-CG 3.23Å; S184-L188 WeakPolarHBondContact O-CG 3.4Å; S184-L188 PolarHBondContact O-N 2.84Å; S186-L188 PolarHBondContact O-N 3.47Å; L188-F191 PolarHBondContact O-N 3.06Å; L188-S192 PolarHBondContact O-N 3.36Å; L188-V199 HydrophobicContact CD2-CG1 4.26Å; L188-L237 HydrophobicContact CD2-CD1 3.51Å; L188-L282 HydrophobicContact CD1-CD2 3.75Å; L188-L282 HydrophobicContact CD2-CD2 3.7Å; L188-L282 HydrophobicContact CG-CD2 4.29Å; L188-F286 HydrophobicContact CB-CD1 3.75Å; L188-F286 HydrophobicContact CB-CE1 3.67Å; L188-F286 HydrophobicContact CB-CG 4.25Å; L188-F286 HydrophobicContact CB-CZ 4.09Å; L188-F286 HydrophobicContact CD1-CD2 4.5Å; L188-F286 HydrophobicContact CD1-CE1 4.32Å; L188-F286 HydrophobicContact CD1-CE2 3.98Å; L188-F286 HydrophobicContact CD1-CZ 3.87Å
189K91.6Very high91Very high135 Ų13547.6 Ų47.659%0.58727%0.265SS*.Hα-helixtrans-68.5-37.1171-75.5-179.2178.3-171.30112.2R185 S186 E187 F191 S192 S193 F286R185-K189 WeakPolarHBondContact O-CG 3.3Å; R185-K189 PolarHBondContact O-N 3.07Å; R185-K189 VanDerWaalsContact O-N 3.13Å; S186-K189 WeakPolarHBondContact O-CB 3.41Å; S186-K189 PolarHBondContact O-N 2.72Å; E187-K189 VanDerWaalsContact C-N 3.35Å; E187-K189 PolarHBondContact O-N 3.14Å; K189-F191 VanDerWaalsContact C-N 3.29Å; K189-F191 PolarHBondContact O-N 3.2Å; K189-S192 PolarHBondContact O-N 3.38Å; K189-S193 WeakPolarHBondContact O-CB 3.45Å; K189-S193 PolarHBondContact O-N 2.93Å; K189-S193 PolarHBondContact O-OG 3.27Å; K189-F286 HydrophobicContact CG-CD1 3.95Å; K189-F286 HydrophobicContact CG-CE1 4.12Å
190N91.9Very high91.1Very high52 Ų5246 Ų4628%0.27825%0.249SC..Hα-helixtrans-62.4-39.2172.7-71-21.3000111.2S186 E187 S193 G194 K195S186-N190 PolarHBondContact O-N 2.91Å; E187-N190 WeakPolarHBondContact O-CB 3.4Å; E187-N190 PolarHBondContact O-N 2.76Å; N190-S193 WeakPolarHBondContact CA-OG 3.46Å; N190-S193 PolarHBondContact O-OG 2.84Å; N190-S193 VanDerWaalsContact O-OG 3.09Å; N190-G194 PolarHBondContact O-N 2.6Å; N190-K195 HydrophobicContact CB-CB 4.34Å; N190-K195 PolarHBondContact O-N 2.92Å
191F92.6Very high91.2Very high0 Ų045.5 Ų45.50%025%0.246CC..Hα-helixtrans-67.3-44.5174.4-175.3-97.4000112.4E187 L188 K189 G194 C196 V199 L237 R239 T252 I288E187-F191 PolarHBondContact O-N 3.45Å; L188-F191 PolarHBondContact O-N 3.06Å; K189-F191 VanDerWaalsContact C-N 3.29Å; K189-F191 PolarHBondContact O-N 3.2Å; F191-G194 PolarHBondContact O-N 3.31Å; F191-G194 VanDerWaalsContact O-N 3.12Å; F191-C196 WeakPolarHBondContact CA-SG 2.97Å; F191-C196 VanDerWaalsContact CD2-O 3.29Å; F191-C196 WeakPolarHBondContact CD2-O 3.45Å; F191-C196 PolarHBondContact N-SG 3.33Å; F191-V199 HydrophobicContact CB-CG2 3.65Å; F191-V199 HydrophobicContact CD2-CG2 3.75Å; F191-V199 HydrophobicContact CG-CG2 3.88Å; F191-L237 HydrophobicContact CD1-CB 4.29Å; F191-L237 HydrophobicContact CD1-CD1 4.14Å; F191-L237 HydrophobicContact CD2-CB 4.45Å; F191-L237 HydrophobicContact CE1-CB 3.81Å; F191-L237 HydrophobicContact CE1-CD1 4.27Å; F191-L237 HydrophobicContact CE2-CB 3.97Å; F191-L237 HydrophobicContact CZ-CB 3.62Å; F191-R239 HydrophobicContact CE2-CB 4.24Å; F191-R239 HydrophobicContact CZ-CB 4.34Å; F191-R239 PolarHBondContact O-NH2 2.88Å; F191-T252 HydrophobicContact CE1-CG2 3.89Å; F191-T252 HydrophobicContact CZ-CG2 3.88Å; F191-I288 HydrophobicContact CD1-CD1 3.96Å; F191-I288 HydrophobicContact CD1-CG1 4.42Å; F191-I288 HydrophobicContact CD1-CG2 4.38Å; F191-I288 HydrophobicContact CE1-CG2 4Å
192S90.9Very high91.3Very high45 Ų4548.1 Ų48.132%0.31526%0.256SS..Hα-helixtrans-59.1-48.2176.7178.80000111.2L188 K189 G194 R239 F286L188-S192 PolarHBondContact O-N 3.36Å; K189-S192 PolarHBondContact O-N 3.38Å; S192-G194 PolarHBondContact O-N 3.36Å; S192-G194 VanDerWaalsContact O-N 3.09Å; S192-R239 PolarHBondContact O-NH2 2.93Å; S192-F286 WeakPolarHBondContact CB-O 3.44Å; S192-F286 PolarHBondContact OG-O 3.47Å
193S89.5Confident91.4Very high75 Ų7543.4 Ų43.452%0.52423%0.226SC..THydrogen-bonded Turntrans-68.9-3.7176.359.10000115.4K189 N190K189-S193 WeakPolarHBondContact O-CB 3.45Å; K189-S193 PolarHBondContact O-N 2.93Å; K189-S193 PolarHBondContact O-OG 3.27Å; N190-S193 WeakPolarHBondContact CA-OG 3.46Å; N190-S193 PolarHBondContact O-OG 2.84Å; N190-S193 VanDerWaalsContact O-OG 3.09Å
194G86.8Confident91.5Very high17 Ų1739.1 Ų39.118%0.17520%0.203CC..THydrogen-bonded Turntrans77.714.8176.800000115.3N190 F191 S192 R239 R241N190-G194 PolarHBondContact O-N 2.6Å; F191-G194 PolarHBondContact O-N 3.31Å; F191-G194 VanDerWaalsContact O-N 3.12Å; S192-G194 PolarHBondContact O-N 3.36Å; S192-G194 VanDerWaalsContact O-N 3.09Å; G194-R239 VanDerWaalsContact CA-NH1 3.34Å; G194-R241 PolarHBondContact O-NH2 2.93Å
195K88.4Confident91.4Very high148 Ų14841.4 Ų41.464%0.64321%0.214SC*.SBendtrans-74.2-26.9175.1-67.4-178.9179.2179.80112.9N190N190-K195 HydrophobicContact CB-CB 4.34Å; N190-K195 PolarHBondContact O-N 2.92Å
196C89Confident91.3Very high8 Ų845.4 Ų45.45%0.05424%0.241CC..  trans-127.9141.1173.862.90000111.2F191F191-C196 WeakPolarHBondContact CA-SG 2.97Å; F191-C196 VanDerWaalsContact CD2-O 3.29Å; F191-C196 WeakPolarHBondContact CD2-O 3.45Å; F191-C196 PolarHBondContact N-SG 3.33Å
197D91.1Very high91.3Very high10 Ų1045 Ų455%0.05324%0.238CC..SBendtrans-89.5-9.5178.4-66.4-31.1000112.7R216 E217 H218 F238 R239 R241D197-R216 PolarHBondContact N-O 3.48Å; D197-E217 WeakPolarHBondContact CB-O 3.33Å; D197-E217 PolarHBondContact N-O 3.06Å; D197-H218 IonicContact OD2-CE1 3.66Å; D197-H218 IonicContact OD2-ND1 2.92Å; D197-H218 PolarHBondContact OD2-ND1 3.04Å; D197-F238 CarbonylContact O-C 3.51Å; D197-F238 WeakPolarHBondContact O-CA 2.96Å; D197-R239 HydrophobicContact CB-CB 4.29Å; D197-R239 PolarHBondContact O-N 2.96Å; D197-R241 IonicContact OD1-CZ 3.14Å; D197-R241 IonicContact OD1-NE 2.81Å; D197-R241 PolarHBondContact OD1-NE 3.17Å; D197-R241 IonicContact OD1-NH2 2.72Å; D197-R241 PolarHBondContact OD1-NH2 3.11Å; D197-R241 IonicContact OD2-CZ 3.97Å; D197-R241 IonicContact OD2-NE 3.51Å
198Y93.6Very high91.3Very high3 Ų348.3 Ų48.31%0.01225%0.254CS..EExtended strand (participates in β ladder)trans-148.9137-178.1175.7-95000115Q200 T215 R216 I219 I224 H236 L237 F238Y198-Q200 HydrophobicContact CE1-CB 3.94Å; Y198-Q200 PolarHBondContact OH-NE2 3.3Å; Y198-T215 VanDerWaalsContact O-CA 3.28Å; Y198-T215 WeakPolarHBondContact O-CA 3.5Å; Y198-R216 HydrophobicContact CD1-CB 4.24Å; Y198-R216 HydrophobicContact CD1-CG 4.19Å; Y198-R216 PolarHBondContact N-O 2.88Å; Y198-R216 VanDerWaalsContact N-O 3.15Å; Y198-R216 PolarHBondContact O-N 2.99Å; Y198-R216 VanDerWaalsContact O-N 3.07Å; Y198-I219 VanDerWaalsContact CB-CG2 3.4Å; Y198-I219 HydrophobicContact CD1-CD1 4.23Å; Y198-I219 HydrophobicContact CD2-CG2 4.1Å; Y198-I219 HydrophobicContact CE1-CD1 4.38Å; Y198-I219 HydrophobicContact CG-CD1 4.41Å; Y198-I219 HydrophobicContact CG-CG2 3.81Å; Y198-I224 HydrophobicContact CD2-CD1 3.88Å; Y198-I224 HydrophobicContact CD2-CG1 4.03Å; Y198-I224 HydrophobicContact CE2-CB 4.36Å; Y198-I224 HydrophobicContact CE2-CD1 3.96Å; Y198-I224 HydrophobicContact CE2-CG1 3.85Å; Y198-I224 HydrophobicContact CE2-CG2 3.62Å; Y198-H236 HydrophobicContact CE2-CB 3.8Å; Y198-H236 AromaticContact CE2-ND1 3.87Å; Y198-H236 AromaticContact CZ-ND1 3.69Å; Y198-H236 PolarHBondContact OH-ND1 2.77Å; Y198-L237 VanDerWaalsContact CA-O 3.28Å; Y198-L237 WeakPolarHBondContact CA-O 3.48Å; Y198-L237 WeakPolarHBondContact CD2-O 3.45Å; Y198-F238 HydrophobicContact CD2-CB 4.27Å; Y198-F238 HydrophobicContact CD2-CD2 4.37Å
199V94.5Very high91.3Very high0 Ų049.7 Ų49.70%026%0.263CS..EExtended strand (participates in β ladder)trans-134.2126.6174.2-177.40000110L188 F191 L201 V212 T215 H236 L237L188-V199 HydrophobicContact CD2-CG1 4.26Å; F191-V199 HydrophobicContact CB-CG2 3.65Å; F191-V199 HydrophobicContact CD2-CG2 3.75Å; F191-V199 HydrophobicContact CG-CG2 3.88Å; V199-L201 HydrophobicContact CG1-CD2 4.46Å; V199-L201 HydrophobicContact CG1-CG 4.36Å; V199-V212 HydrophobicContact CG1-CB 4.46Å; V199-V212 HydrophobicContact CG1-CG1 3.87Å; V199-V212 HydrophobicContact CG1-CG2 3.77Å; V199-T215 HydrophobicContact CB-CG2 4.33Å; V199-T215 HydrophobicContact CG1-CG2 4.16Å; V199-T215 HydrophobicContact CG2-CG2 3.87Å; V199-H236 WeakPolarHBondContact O-CA 3.11Å; V199-L237 HydrophobicContact CB-CB 4.21Å; V199-L237 HydrophobicContact CB-CD1 4.34Å; V199-L237 HydrophobicContact CB-CG 4.33Å; V199-L237 PolarHBondContact N-O 3.32Å; V199-L237 PolarHBondContact O-N 3.13Å
200Q93.9Very high91.4Very high15 Ų1543.4 Ų43.47%0.0724%0.235CC..EExtended strand (participates in β ladder)trans-101.3127.1171.7-170.6-178.388.100110.8Y198 V212 C213 G214 R234Y198-Q200 HydrophobicContact CE1-CB 3.94Å; Y198-Q200 PolarHBondContact OH-NE2 3.3Å; Q200-V212 CarbonylContact O-C 3.59Å; Q200-V212 WeakPolarHBondContact O-CA 3.35Å; Q200-C213 PolarHBondContact O-N 3.4Å; Q200-G214 PolarHBondContact N-O 3.11Å; Q200-R234 HydrophobicContact CG-CB 4.24Å; Q200-R234 HydrophobicContact CG-CG 4.22Å
201L94.2Very high91.5Very high0 Ų044.8 Ų44.80%024%0.239CC..EExtended strand (participates in β ladder)trans-111.6140.1178.2-62.3157.7000110.6V199 I210 K211 V212 Y235 L237 L278V199-L201 HydrophobicContact CG1-CD2 4.46Å; V199-L201 HydrophobicContact CG1-CG 4.36Å; L201-I210 HydrophobicContact CB-CG2 4.04Å; L201-I210 HydrophobicContact CD2-CG2 4.03Å; L201-K211 CarbonylContact C-O 3.56Å; L201-K211 WeakPolarHBondContact CA-O 3.45Å; L201-V212 HydrophobicContact CD2-CB 4.45Å; L201-V212 HydrophobicContact CD2-CG2 3.45Å; L201-V212 VanDerWaalsContact CD2-CG2 3.45Å; L201-Y235 HydrophobicContact CB-CD2 4.23Å; L201-Y235 PolarHBondContact N-O 2.83Å; L201-Y235 PolarHBondContact O-N 2.91Å; L201-L237 HydrophobicContact CD1-CD1 4.33Å; L201-L237 HydrophobicContact CD1-CD2 4.34Å; L201-L237 HydrophobicContact CD1-CG 4.23Å; L201-L278 HydrophobicContact CD1-CD2 4.12Å
202K92.8Very high91.6Very high69 Ų6946.3 Ų46.330%0.325%0.248SC..EExtended strand (participates in β ladder)trans-123.9130.8175179.5-179.1-177.2169.80109.5D204 I210 K211 C213 E232 Y271K202-D204 PolarHBondContact O-N 2.84Å; K202-I210 WeakPolarHBondContact O-CA 3.28Å; K202-K211 PolarHBondContact N-O 2.56Å; K202-K211 PolarHBondContact O-N 3.47Å; K202-C213 WeakPolarHBondContact CB-SG 3.22Å; K202-E232 IonicContact NZ-OE2 3.86Å; K202-E232 PolarHBondContact NZ-OE2 2.75Å; K202-Y271 WeakPolarHBondContact CG-OH 3.37Å
203C92.1Very high91.6Very high3 Ų347.4 Ų47.42%0.0226%0.255CS..EExtended strand (participates in β ladder)trans-74.8118.1163.5-63.80000109F178 I205 Y235 Y271F178-C203 HydrophobicContact CD2-CB 4.37Å; F178-C203 HydrophobicContact CE2-CB 4.49Å; C203-I205 PolarHBondContact O-N 3.29Å; C203-Y235 VanDerWaalsContact SG-CE2 3.55Å; C203-Y271 HydrophobicContact CB-CD2 4.34Å; C203-Y271 HydrophobicContact CB-CE1 4.01Å; C203-Y271 HydrophobicContact CB-CE2 3.82Å; C203-Y271 PolarHBondContact N-OH 2.91Å; C203-Y271 PolarHBondContact O-OH 2.94Å
204D90.9Very high91.5Very high39 Ų3945 Ų4521%0.20924%0.243CC..EExtended strand (participates in β ladder)trans-83.2106.2165.5-175.9-9.5000108.6K202 L206 S207 E208 T209 K211K202-D204 PolarHBondContact O-N 2.84Å; D204-L206 VanDerWaalsContact C-N 3.27Å; D204-L206 PolarHBondContact O-N 2.69Å; D204-L206 PolarHBondContact OD1-N 3Å; D204-L206 VanDerWaalsContact OD1-N 3.1Å; D204-S207 WeakPolarHBondContact CB-OG 3.37Å; D204-S207 PolarHBondContact OD1-N 3.01Å; D204-S207 PolarHBondContact OD2-OG 2.94Å; D204-E208 WeakPolarHBondContact O-CA 3.38Å; D204-E208 PolarHBondContact O-N 3.17Å; D204-T209 PolarHBondContact N-O 2.85Å; D204-T209 PolarHBondContact O-N 3.23Å; D204-K211 HydrophobicContact CB-CD 4.32Å; D204-K211 IonicContact OD2-NZ 3.2Å; D204-K211 PolarHBondContact OD2-NZ 2.94Å
205I88.5Confident91.8Very high48 Ų4846.1 Ų46.125%0.24625%0.246CC..THydrogen-bonded Turntrans-69.1-27.5-175-60.5169000111.6C203 K266 L270C203-I205 PolarHBondContact O-N 3.29Å; I205-K266 HydrophobicContact CG2-CD 4.42Å; I205-L270 HydrophobicContact CB-CD1 4.26Å; I205-L270 HydrophobicContact CG1-CD1 4Å; I205-L270 HydrophobicContact CG2-CD1 3.59Å
206L89.3Confident91.9Very high169 Ų16945.3 Ų45.389%0.88524%0.239SC*.THydrogen-bonded Turntrans-81.5-39-176.9-67175.4000111.7D204D204-L206 VanDerWaalsContact C-N 3.27Å; D204-L206 PolarHBondContact O-N 2.69Å; D204-L206 PolarHBondContact OD1-N 3Å; D204-L206 VanDerWaalsContact OD1-N 3.1Å
207S90.5Very high91.7Very high54 Ų5451.7 Ų51.738%0.37827%0.268SS..THydrogen-bonded Turntrans-94.6-3.1179.165.20000114.2D204 T209D204-S207 WeakPolarHBondContact CB-OG 3.37Å; D204-S207 PolarHBondContact OD1-N 3.01Å; D204-S207 PolarHBondContact OD2-OG 2.94Å; S207-T209 WeakPolarHBondContact O-CG2 3.48Å; S207-T209 PolarHBondContact O-N 3.34Å; S207-T209 PolarHBondContact OG-OG1 3.27Å
208E91.9Very high91.4Very high124 Ų12458 Ų5858%0.57930%0.296SS*.THydrogen-bonded Turntrans53.437.4-177-58-170.4162.200112.9F178 A179 D204F178-E208 WeakPolarHBondContact CA-O 3.49Å; F178-E208 VanDerWaalsContact CB-O 3.26Å; F178-E208 WeakPolarHBondContact CB-O 3.48Å; F178-E208 HydrophobicContact CD1-CB 3.91Å; F178-E208 HydrophobicContact CE1-CB 3.68Å; F178-E208 HydrophobicContact CE1-CG 3.88Å; F178-E208 HydrophobicContact CE2-CB 4.38Å; F178-E208 HydrophobicContact CG-CB 4.35Å; F178-E208 VanDerWaalsContact CG-O 3.31Å; F178-E208 WeakPolarHBondContact CG-O 3.44Å; F178-E208 HydrophobicContact CZ-CB 3.92Å; F178-E208 HydrophobicContact CZ-CG 3.89Å; A179-E208 PolarHBondContact N-O 3.07Å; D204-E208 WeakPolarHBondContact O-CA 3.38Å; D204-E208 PolarHBondContact O-N 3.17Å
209T93.3Very high91Very high30 Ų3058.7 Ų58.718%0.18430%0.3CS..EExtended strand (participates in β ladder)trans-121.9156178.362.30000112.1A179 D204 S207 K211A179-T209 CarbonylContact O-C 3.54Å; A179-T209 WeakPolarHBondContact O-CA 3.49Å; A179-T209 WeakPolarHBondContact O-CB 3.37Å; D204-T209 PolarHBondContact N-O 2.85Å; D204-T209 PolarHBondContact O-N 3.23Å; S207-T209 WeakPolarHBondContact O-CG2 3.48Å; S207-T209 PolarHBondContact O-N 3.34Å; S207-T209 PolarHBondContact OG-OG1 3.27Å; T209-K211 VanDerWaalsContact OG1-CE 3.3Å; T209-K211 WeakPolarHBondContact OG1-CE 3.27Å
210I94.2Very high90.6Very high3 Ų362 Ų622%0.01532%0.32CS..EExtended strand (participates in β ladder)trans-105.6121172.5-59.2173.6000107.6F178 A179 L180 S181 S184 L201 K202 L278F178-I210 HydrophobicContact CB-CD1 4.04Å; F178-I210 HydrophobicContact CB-CG1 3.78Å; A179-I210 PolarHBondContact O-N 2.64Å; L180-I210 HydrophobicContact CD2-CB 4.07Å; L180-I210 HydrophobicContact CD2-CG2 4.05Å; S181-I210 PolarHBondContact N-O 2.96Å; S184-I210 PolarHBondContact OG-O 2.66Å; L201-I210 HydrophobicContact CB-CG2 4.04Å; L201-I210 HydrophobicContact CD2-CG2 4.03Å; K202-I210 WeakPolarHBondContact O-CA 3.28Å; I210-L278 HydrophobicContact CD1-CB 4.2Å; I210-L278 HydrophobicContact CD1-CD1 3.93Å; I210-L278 HydrophobicContact CD1-CD2 4.22Å; I210-L278 HydrophobicContact CD1-CG 4.33Å; I210-L278 HydrophobicContact CG2-CD1 4.44Å
211K93.7Very high90Very high80 Ų8063.2 Ų63.235%0.34833%0.33SS..EExtended strand (participates in β ladder)trans-115.5141.7-176-64.9176.3-179.8169.10110.3S184 L201 K202 D204 T209S184-K211 WeakPolarHBondContact OG-CA 3.24Å; L201-K211 CarbonylContact C-O 3.56Å; L201-K211 WeakPolarHBondContact CA-O 3.45Å; K202-K211 PolarHBondContact N-O 2.56Å; K202-K211 PolarHBondContact O-N 3.47Å; D204-K211 HydrophobicContact CB-CD 4.32Å; D204-K211 IonicContact OD2-NZ 3.2Å; D204-K211 PolarHBondContact OD2-NZ 2.94Å; T209-K211 VanDerWaalsContact OG1-CE 3.3Å; T209-K211 WeakPolarHBondContact OG1-CE 3.27Å
212V94Very high89.6Confident33 Ų3370 Ų7020%0.236%0.359CS..EExtended strand (participates in β ladder)trans-74.6123.5166.51730000108.7S184 E187 V199 Q200 L201 T215S184-V212 PolarHBondContact OG-N 3.33Å; E187-V212 HydrophobicContact CB-CB 4.49Å; E187-V212 HydrophobicContact CB-CG1 4.12Å; E187-V212 HydrophobicContact CB-CG2 4.2Å; E187-V212 HydrophobicContact CG-CG1 4.15Å; V199-V212 HydrophobicContact CG1-CB 4.46Å; V199-V212 HydrophobicContact CG1-CG1 3.87Å; V199-V212 HydrophobicContact CG1-CG2 3.77Å; Q200-V212 CarbonylContact O-C 3.59Å; Q200-V212 WeakPolarHBondContact O-CA 3.35Å; L201-V212 HydrophobicContact CD2-CB 4.45Å; L201-V212 HydrophobicContact CD2-CG2 3.45Å; L201-V212 VanDerWaalsContact CD2-CG2 3.45Å; V212-T215 HydrophobicContact CG1-CG2 3.86Å
213C90.7Very high89.2Confident67 Ų6770.6 Ų70.645%0.45336%0.363SS..EExtended strand (participates in β ladder)trans-93.4-22.8177.8-73.90000113.4Q200 K202Q200-C213 PolarHBondContact O-N 3.4Å; K202-C213 WeakPolarHBondContact CB-SG 3.22Å
214G88.9Confident88.9Confident26 Ų2670.5 Ų70.527%0.26836%0.362SS..EExtended strand (participates in β ladder)trans-179149.1179.300000112.2Q200Q200-G214 PolarHBondContact N-O 3.11Å
215T91.9Very high88.6Confident39 Ų3970 Ų7024%0.23936%0.364CS..EExtended strand (participates in β ladder)trans-124154.6174.355.80000110.2E187 Y198 V199 V212E187-T215 HydrophobicContact CB-CG2 3.97Å; E187-T215 HydrophobicContact CG-CG2 4.09Å; E187-T215 WeakPolarHBondContact OE2-CB 3.32Å; E187-T215 WeakPolarHBondContact OE2-CG2 3.36Å; E187-T215 PolarHBondContact OE2-OG1 3.22Å; Y198-T215 VanDerWaalsContact O-CA 3.28Å; Y198-T215 WeakPolarHBondContact O-CA 3.5Å; V199-T215 HydrophobicContact CB-CG2 4.33Å; V199-T215 HydrophobicContact CG1-CG2 4.16Å; V199-T215 HydrophobicContact CG2-CG2 3.87Å; V212-T215 HydrophobicContact CG1-CG2 3.86Å
216R90.2Very high88.4Confident132 Ų13275.2 Ų75.250%0.49839%0.387SS..EExtended strand (participates in β ladder)trans-141135.6176.4-65-71.5-174.2-106.46.1108.3D197 Y198 I219D197-R216 PolarHBondContact N-O 3.48Å; Y198-R216 HydrophobicContact CD1-CB 4.24Å; Y198-R216 HydrophobicContact CD1-CG 4.19Å; Y198-R216 PolarHBondContact N-O 2.88Å; Y198-R216 VanDerWaalsContact N-O 3.15Å; Y198-R216 PolarHBondContact O-N 2.99Å; Y198-R216 VanDerWaalsContact O-N 3.07Å; R216-I219 HydrophobicContact CB-CB 4.22Å; R216-I219 HydrophobicContact CG-CD1 4.19Å
217E86.1Confident88.2Confident142 Ų14270.2 Ų70.266%0.66436%0.361SS*.SBendtrans-69.2-47.6178-67.9-178.5172.900110.7D197D197-E217 WeakPolarHBondContact CB-O 3.33Å; D197-E217 PolarHBondContact N-O 3.06Å
218H83.7Confident87.8Confident141 Ų14168.4 Ų68.465%0.65335%0.348SS*.SBendtrans-132.1129.4175.1-59.8-53.2000110.2D197D197-H218 IonicContact OD2-CE1 3.66Å; D197-H218 IonicContact OD2-ND1 2.92Å; D197-H218 PolarHBondContact OD2-ND1 3.04Å
219I86.2Confident87.3Confident18 Ų1864.6 Ų64.69%0.09233%0.333CS..  trans-143.4142.3177.4-164166.1000110.5Y198 R216 Q223 I224 I227 F238Y198-I219 VanDerWaalsContact CB-CG2 3.4Å; Y198-I219 HydrophobicContact CD1-CD1 4.23Å; Y198-I219 HydrophobicContact CD2-CG2 4.1Å; Y198-I219 HydrophobicContact CE1-CD1 4.38Å; Y198-I219 HydrophobicContact CG-CD1 4.41Å; Y198-I219 HydrophobicContact CG-CG2 3.81Å; R216-I219 HydrophobicContact CB-CB 4.22Å; R216-I219 HydrophobicContact CG-CD1 4.19Å; I219-Q223 HydrophobicContact CD1-CB 3.96Å; I219-Q223 HydrophobicContact CG1-CB 3.51Å; I219-I224 HydrophobicContact CD1-CB 4.43Å; I219-I224 HydrophobicContact CD1-CG1 3.62Å; I219-I224 HydrophobicContact CG1-CG1 3.83Å; I219-I224 HydrophobicContact CG2-CD1 4Å; I219-I224 HydrophobicContact CG2-CG1 3.86Å; I219-I227 HydrophobicContact CD1-CD1 3.6Å; I219-F238 HydrophobicContact CG2-CD2 3.86Å; I219-F238 HydrophobicContact CG2-CE2 3.69Å; I219-F238 WeakPolarHBondContact O-CE2 3.27Å
220T84.8Confident86.6Confident70 Ų7068.2 Ų68.243%0.42935%0.348SS..  trans-92.2153.6171.862.10000110.7K222 Q223 I224T220-K222 PolarHBondContact O-N 3.41Å; T220-K222 VanDerWaalsContact O-N 3.1Å; T220-Q223 WeakPolarHBondContact O-CB 3.45Å; T220-Q223 PolarHBondContact O-N 3.12Å; T220-Q223 WeakPolarHBondContact OG1-CG 3.49Å; T220-Q223 PolarHBondContact OG1-OE1 2.82Å; T220-Q223 VanDerWaalsContact OG1-OE1 3.06Å; T220-I224 PolarHBondContact O-N 2.8Å; T220-I224 VanDerWaalsContact O-N 3.12Å
221P82.8Confident85.9Confident40 Ų4075 Ų7526%0.2638%0.378SS..Hα-helixtrans-52.3-35.4177.2-29.336000114.1I224 A225 F238 M302P221-I224 WeakPolarHBondContact O-CB 3.14Å; P221-I224 PolarHBondContact O-N 2.77Å; P221-A225 PolarHBondContact O-N 3.48Å; P221-F238 HydrophobicContact CG-CE1 4.17Å; P221-F238 HydrophobicContact CG-CZ 4.21Å; P221-M302 HydrophobicContact CB-CE 4.32Å
222K84.5Confident85.5Confident143 Ų14375 Ų7562%0.62238%0.379SS*.Hα-helixtrans-63.3-44.4176-66.4-174.4178.5-178.80112.4T220 I224 A225 E226T220-K222 PolarHBondContact O-N 3.41Å; T220-K222 VanDerWaalsContact O-N 3.1Å; K222-I224 VanDerWaalsContact C-N 3.29Å; K222-I224 PolarHBondContact O-N 2.89Å; K222-A225 WeakPolarHBondContact O-CB 3.45Å; K222-A225 PolarHBondContact O-N 2.82Å; K222-A225 VanDerWaalsContact O-N 3.15Å; K222-E226 PolarHBondContact O-N 2.78Å
223Q85.8Confident85.2Confident82 Ų8273.5 Ų73.538%0.38337%0.37SS..Hα-helixtrans-65.6-32.7176.5-71.7167.9-37.100112I219 T220 A225 E226 I227I219-Q223 HydrophobicContact CD1-CB 3.96Å; I219-Q223 HydrophobicContact CG1-CB 3.51Å; T220-Q223 WeakPolarHBondContact O-CB 3.45Å; T220-Q223 PolarHBondContact O-N 3.12Å; T220-Q223 WeakPolarHBondContact OG1-CG 3.49Å; T220-Q223 PolarHBondContact OG1-OE1 2.82Å; T220-Q223 VanDerWaalsContact OG1-OE1 3.06Å; Q223-A225 VanDerWaalsContact C-N 3.28Å; Q223-A225 PolarHBondContact O-N 3.38Å; Q223-E226 PolarHBondContact O-N 2.67Å; Q223-I227 VanDerWaalsContact O-CG1 3.32Å; Q223-I227 WeakPolarHBondContact O-CG1 3.49Å; Q223-I227 PolarHBondContact O-N 2.76Å; Q223-I227 VanDerWaalsContact O-N 3.14Å
224I85.6Confident85.2Confident0 Ų071.1 Ų71.10%035%0.351CS..Hα-helixtrans-62.1-41.6174.2-58.6175.1000110.1Y198 I219 T220 P221 K222 E226 I227 C228 F238 M299Y198-I224 HydrophobicContact CD2-CD1 3.88Å; Y198-I224 HydrophobicContact CD2-CG1 4.03Å; Y198-I224 HydrophobicContact CE2-CB 4.36Å; Y198-I224 HydrophobicContact CE2-CD1 3.96Å; Y198-I224 HydrophobicContact CE2-CG1 3.85Å; Y198-I224 HydrophobicContact CE2-CG2 3.62Å; I219-I224 HydrophobicContact CD1-CB 4.43Å; I219-I224 HydrophobicContact CD1-CG1 3.62Å; I219-I224 HydrophobicContact CG1-CG1 3.83Å; I219-I224 HydrophobicContact CG2-CD1 4Å; I219-I224 HydrophobicContact CG2-CG1 3.86Å; T220-I224 PolarHBondContact O-N 2.8Å; T220-I224 VanDerWaalsContact O-N 3.12Å; P221-I224 WeakPolarHBondContact O-CB 3.14Å; P221-I224 PolarHBondContact O-N 2.77Å; K222-I224 VanDerWaalsContact C-N 3.29Å; K222-I224 PolarHBondContact O-N 2.89Å; I224-E226 VanDerWaalsContact C-N 3.28Å; I224-E226 PolarHBondContact O-N 3.12Å; I224-I227 PolarHBondContact O-N 3.2Å; I224-C228 PolarHBondContact O-N 3.12Å; I224-C228 VanDerWaalsContact O-N 3.12Å; I224-F238 HydrophobicContact CD1-CB 4.14Å; I224-F238 HydrophobicContact CD1-CD1 4.02Å; I224-F238 HydrophobicContact CD1-CD2 3.52Å; I224-F238 HydrophobicContact CD1-CE1 4.29Å; I224-F238 HydrophobicContact CD1-CE2 3.85Å; I224-F238 HydrophobicContact CD1-CG 3.61Å; I224-F238 HydrophobicContact CD1-CZ 4.21Å; I224-M299 HydrophobicContact CB-SD 4.44Å; I224-M299 HydrophobicContact CG2-CE 3.32Å; I224-M299 HydrophobicContact CG2-SD 3.68Å
225A84.6Confident85.5Confident29 Ų2969.9 Ų69.924%0.2434%0.339CS..Hα-helixtrans-65.1-30.6178.600000113.3P221 K222 Q223 M299P221-A225 PolarHBondContact O-N 3.48Å; K222-A225 WeakPolarHBondContact O-CB 3.45Å; K222-A225 PolarHBondContact O-N 2.82Å; K222-A225 VanDerWaalsContact O-N 3.15Å; Q223-A225 VanDerWaalsContact C-N 3.28Å; Q223-A225 PolarHBondContact O-N 3.38Å; A225-M299 HydrophobicContact CB-CB 3.96Å; A225-M299 HydrophobicContact CB-SD 4.43Å
226E84.5Confident85.5Confident157 Ų15768 Ų6873%0.73433%0.327SS*.Hα-helixtrans-73.8-35.3175.6-68.2170.2-178.400112.9K222 Q223 I224K222-E226 PolarHBondContact O-N 2.78Å; Q223-E226 PolarHBondContact O-N 2.67Å; I224-E226 VanDerWaalsContact C-N 3.28Å; I224-E226 PolarHBondContact O-N 3.12Å
227I83.8Confident85.7Confident65 Ų6561.7 Ų61.733%0.33330%0.304SS..Hα-helixtrans-81.3-20.4-178.7-62169000111.7I219 Q223 I224 P229I219-I227 HydrophobicContact CD1-CD1 3.6Å; Q223-I227 VanDerWaalsContact O-CG1 3.32Å; Q223-I227 WeakPolarHBondContact O-CG1 3.49Å; Q223-I227 PolarHBondContact O-N 2.76Å; Q223-I227 VanDerWaalsContact O-N 3.14Å; I224-I227 PolarHBondContact O-N 3.2Å; I227-P229 WeakPolarHBondContact O-CD 3.31Å
228C82.1Confident86.1Confident16 Ų1655.4 Ų55.411%0.10827%0.274CS..SBendtrans-74123.7-177.3-168.60000111.7I224 E230 M299I224-C228 PolarHBondContact O-N 3.12Å; I224-C228 VanDerWaalsContact O-N 3.12Å; C228-E230 PolarHBondContact O-N 3.32Å; C228-M299 HydrophobicContact CB-CB 4.13Å; C228-M299 HydrophobicContact CB-CE 4.15Å; C228-M299 HydrophobicContact CB-CG 3.61Å; C228-M299 HydrophobicContact CB-SD 4.22Å
229P82.5Confident86.5Confident43 Ų4350.9 Ų50.928%0.27925%0.251SS..  trans-61.6136176.3-20.532000111.9I227 K231 E232 R234I227-P229 WeakPolarHBondContact O-CD 3.31Å; P229-K231 VanDerWaalsContact C-N 3.32Å; P229-K231 PolarHBondContact O-N 3.42Å; P229-E232 HydrophobicContact CB-CB 4.28Å; P229-R234 HydrophobicContact CG-CG 4.33Å
230E78.1Confident86.6Confident107 Ų10753.7 Ų53.750%0.526%0.263SS..SBendtrans-72.2-24.5178.6-67.3-167.6157.400113.1C228 S259 Q262 K300C228-E230 PolarHBondContact O-N 3.32Å; E230-S259 WeakPolarHBondContact O-CB 3.31Å; E230-S259 PolarHBondContact O-OG 2.82Å; E230-Q262 PolarHBondContact O-OE1 2.95Å; E230-Q262 VanDerWaalsContact O-OE1 3.06Å; E230-K300 IonicContact OE1-NZ 2.76Å; E230-K300 PolarHBondContact OE1-NZ 2.82Å
231K80Confident86.8Confident144 Ų14454.9 Ų54.963%0.62626%0.259SS*.SBendtrans-109.4-3.6-170.9-63.7-177.6-179.5178.30115.2P229 Q262 S263P229-K231 VanDerWaalsContact C-N 3.32Å; P229-K231 PolarHBondContact O-N 3.42Å; K231-Q262 HydrophobicContact CB-CB 4.47Å; K231-Q262 HydrophobicContact CG-CB 4.2Å; K231-S263 WeakPolarHBondContact O-CB 3.47Å
232E84Confident86.9Confident81 Ų8156.2 Ų56.238%0.37926%0.262SS..SBendtrans-131.2146.4-177.8-61.9-173.4177.400110.7K202 P229 R234K202-E232 IonicContact NZ-OE2 3.86Å; K202-E232 PolarHBondContact NZ-OE2 2.75Å; P229-E232 HydrophobicContact CB-CB 4.28Å; E232-R234 VanDerWaalsContact CB-NH1 3.26Å; E232-R234 IonicContact OE2-CZ 3.85Å; E232-R234 IonicContact OE2-NH1 2.7Å; E232-R234 PolarHBondContact OE2-NH1 2.95Å; E232-R234 IonicContact OE2-NH2 3.91Å; E232-R234 PolarHBondContact OE2-NH2 2.8Å
233G87.8Confident86.9Confident1 Ų156.3 Ų56.31%0.0127%0.266CS..  trans-73.5153.6172.400000112.4T257 Y271G233-T257 CarbonylContact C-O 3.59Å; G233-T257 WeakPolarHBondContact CA-O 3.37Å; G233-Y271 VanDerWaalsContact C-CE1 3.49Å; G233-Y271 WeakPolarHBondContact O-CE1 3.44Å; G233-Y271 PolarHBondContact O-OH 2.96Å
234R92.1Very high86.7Confident17 Ų1757.8 Ų57.86%0.06427%0.272CS..EExtended strand (participates in β ladder)trans-146156.4173.7-67.5-63.7-176-89.5-1.9109.9Q200 P229 E232 H236 T257Q200-R234 HydrophobicContact CG-CB 4.24Å; Q200-R234 HydrophobicContact CG-CG 4.22Å; P229-R234 HydrophobicContact CG-CG 4.33Å; E232-R234 VanDerWaalsContact CB-NH1 3.26Å; E232-R234 IonicContact OE2-CZ 3.85Å; E232-R234 IonicContact OE2-NH1 2.7Å; E232-R234 PolarHBondContact OE2-NH1 2.95Å; E232-R234 IonicContact OE2-NH2 3.91Å; E232-R234 PolarHBondContact OE2-NH2 2.8Å; R234-H236 WeakPolarHBondContact CB-NE2 3.38Å; R234-T257 PolarHBondContact N-O 2.75Å; R234-T257 PolarHBondContact N-OG1 2.76Å; R234-T257 PolarHBondContact O-N 3.22Å; R234-T257 PolarHBondContact O-OG1 2.98Å; R234-T257 VanDerWaalsContact O-OG1 3.06Å
235Y93.9Very high86.7Confident0 Ų066.7 Ų66.70%031%0.31CS..EExtended strand (participates in β ladder)trans-105.3146.5159.3-45.6-72.9000109.4L201 C203 F254 I255 H256 Y271 C274 K275 L278L201-Y235 HydrophobicContact CB-CD2 4.23Å; L201-Y235 PolarHBondContact N-O 2.83Å; L201-Y235 PolarHBondContact O-N 2.91Å; C203-Y235 VanDerWaalsContact SG-CE2 3.55Å; Y235-F254 HydrophobicContact CD1-CE1 4.06Å; Y235-F254 HydrophobicContact CD1-CE2 4.38Å; Y235-F254 AromaticContact CD1-CZ 3.49Å; Y235-F254 HydrophobicContact CD1-CZ 3.49Å; Y235-F254 VanDerWaalsContact CD1-CZ 3.49Å; Y235-F254 HydrophobicContact CE1-CZ 4.11Å; Y235-F254 HydrophobicContact CG-CE2 4.38Å; Y235-F254 AromaticContact CG-CZ 3.9Å; Y235-F254 HydrophobicContact CG-CZ 3.9Å; Y235-I255 CarbonylContact C-O 3.55Å; Y235-I255 WeakPolarHBondContact CA-O 3.27Å; Y235-H256 HydrophobicContact CD1-CB 4.15Å; Y235-H256 AromaticContact CD1-CD2 3.48Å; Y235-H256 VanDerWaalsContact CD1-CD2 3.48Å; Y235-H256 WeakPolarHBondContact CD1-CD2 3.47Å; Y235-H256 AromaticContact CD1-CG 3.99Å; Y235-H256 AromaticContact CE1-CD2 3.34Å; Y235-H256 WeakPolarHBondContact CE1-CD2 3.48Å; Y235-H256 AromaticContact CE1-CG 3.93Å; Y235-H256 AromaticContact CE1-NE2 3.61Å; Y235-Y271 HydrophobicContact CD2-CD1 4.42Å; Y235-Y271 HydrophobicContact CD2-CE1 4.43Å; Y235-Y271 HydrophobicContact CE1-CD1 4.15Å; Y235-Y271 AromaticContact CE2-CD1 3.92Å; Y235-Y271 HydrophobicContact CE2-CD1 3.92Å; Y235-Y271 HydrophobicContact CE2-CE1 4.21Å; Y235-Y271 AromaticContact CZ-CD1 3.79Å; Y235-Y271 WeakPolarHBondContact OH-CA 3.42Å; Y235-Y271 PolarHBondContact OH-O 2.8Å; Y235-C274 WeakPolarHBondContact OH-CB 3.48Å; Y235-K275 HydrophobicContact CE1-CB 4.19Å; Y235-K275 PolarHBondContact OH-N 2.87Å; Y235-L278 HydrophobicContact CD2-CD2 3.37Å; Y235-L278 HydrophobicContact CE2-CD2 3.54Å; Y235-L278 HydrophobicContact CG-CD2 3.88Å
236H93.3Very high86.6Confident0 Ų068.2 Ų68.20%033%0.329CS..EExtended strand (participates in β ladder)trans-131.5128-179.7-44.3-99.8000108.3Y198 V199 R234 I255 T257 M299Y198-H236 HydrophobicContact CE2-CB 3.8Å; Y198-H236 AromaticContact CE2-ND1 3.87Å; Y198-H236 AromaticContact CZ-ND1 3.69Å; Y198-H236 PolarHBondContact OH-ND1 2.77Å; V199-H236 WeakPolarHBondContact O-CA 3.11Å; R234-H236 WeakPolarHBondContact CB-NE2 3.38Å; H236-I255 HydrophobicContact CB-CB 4.11Å; H236-I255 PolarHBondContact CD2-O 2.8Å; H236-I255 PolarHBondContact N-O 2.81Å; H236-I255 PolarHBondContact O-N 3.24Å; H236-T257 WeakPolarHBondContact NE2-CG2 3.35Å; H236-T257 PolarHBondContact NE2-OG1 3Å; H236-M299 VanDerWaalsContact CD2-CE 3.45Å; H236-M299 WeakPolarHBondContact CD2-CE 3.39Å; H236-M299 VanDerWaalsContact CE1-CE 3.46Å; H236-M299 WeakPolarHBondContact CE1-CE 3.4Å; H236-M299 VanDerWaalsContact NE2-CE 3.29Å; H236-M299 WeakPolarHBondContact NE2-CE 3.42Å
237L94.3Very high86.6Confident0 Ų066.9 Ų66.90%032%0.323CS..EExtended strand (participates in β ladder)trans-99.6124.8166.6-44.5-174.3000106L188 F191 Y198 V199 L201 F254 L282 I288 F290L188-L237 HydrophobicContact CD2-CD1 3.51Å; F191-L237 HydrophobicContact CD1-CB 4.29Å; F191-L237 HydrophobicContact CD1-CD1 4.14Å; F191-L237 HydrophobicContact CD2-CB 4.45Å; F191-L237 HydrophobicContact CE1-CB 3.81Å; F191-L237 HydrophobicContact CE1-CD1 4.27Å; F191-L237 HydrophobicContact CE2-CB 3.97Å; F191-L237 HydrophobicContact CZ-CB 3.62Å; Y198-L237 VanDerWaalsContact CA-O 3.28Å; Y198-L237 WeakPolarHBondContact CA-O 3.48Å; Y198-L237 WeakPolarHBondContact CD2-O 3.45Å; V199-L237 HydrophobicContact CB-CB 4.21Å; V199-L237 HydrophobicContact CB-CD1 4.34Å; V199-L237 HydrophobicContact CB-CG 4.33Å; V199-L237 PolarHBondContact N-O 3.32Å; V199-L237 PolarHBondContact O-N 3.13Å; L201-L237 HydrophobicContact CD1-CD1 4.33Å; L201-L237 HydrophobicContact CD1-CD2 4.34Å; L201-L237 HydrophobicContact CD1-CG 4.23Å; L237-F254 HydrophobicContact CD2-CD2 3.49Å; L237-F254 VanDerWaalsContact CD2-CD2 3.49Å; L237-F254 HydrophobicContact CD2-CE2 3.97Å; L237-L282 HydrophobicContact CD1-CD1 4.17Å; L237-L282 HydrophobicContact CD1-CD2 4.38Å; L237-L282 HydrophobicContact CD2-CD1 3.9Å; L237-I288 HydrophobicContact CD1-CD1 4.41Å; L237-F290 HydrophobicContact CD2-CE1 3.78Å; L237-F290 HydrophobicContact CD2-CZ 3.79Å
238F93.1Very high86.6Confident9 Ų970.4 Ų70.44%0.03934%0.338CS..EExtended strand (participates in β ladder)trans-135.3126.2-177.2174.5-123.8000110.4D197 Y198 I219 P221 I224 F240 T252 F253 I255D197-F238 CarbonylContact O-C 3.51Å; D197-F238 WeakPolarHBondContact O-CA 2.96Å; Y198-F238 HydrophobicContact CD2-CB 4.27Å; Y198-F238 HydrophobicContact CD2-CD2 4.37Å; I219-F238 HydrophobicContact CG2-CD2 3.86Å; I219-F238 HydrophobicContact CG2-CE2 3.69Å; I219-F238 WeakPolarHBondContact O-CE2 3.27Å; P221-F238 HydrophobicContact CG-CE1 4.17Å; P221-F238 HydrophobicContact CG-CZ 4.21Å; I224-F238 HydrophobicContact CD1-CB 4.14Å; I224-F238 HydrophobicContact CD1-CD1 4.02Å; I224-F238 HydrophobicContact CD1-CD2 3.52Å; I224-F238 HydrophobicContact CD1-CE1 4.29Å; I224-F238 HydrophobicContact CD1-CE2 3.85Å; I224-F238 HydrophobicContact CD1-CG 3.61Å; I224-F238 HydrophobicContact CD1-CZ 4.21Å; F238-F240 HydrophobicContact CD1-CB 4.31Å; F238-F240 HydrophobicContact CE1-CB 3.7Å; F238-F240 AromaticContact CE1-CD2 3.83Å; F238-F240 HydrophobicContact CE1-CD2 3.83Å; F238-F240 HydrophobicContact CE1-CG 4.2Å; F238-F240 HydrophobicContact CZ-CB 4.15Å; F238-F240 AromaticContact CZ-CD2 3.88Å; F238-F240 HydrophobicContact CZ-CD2 3.88Å; F238-T252 CarbonylContact O-C 3.6Å; F238-F253 HydrophobicContact CB-CB 4.37Å; F238-F253 HydrophobicContact CD1-CB 4.47Å; F238-F253 HydrophobicContact CD1-CD2 4.33Å; F238-F253 PolarHBondContact N-O 2.95Å; F238-F253 PolarHBondContact O-N 2.9Å; F238-I255 HydrophobicContact CB-CD1 4.36Å
239R92.3Very high86.8Confident46 Ų4673 Ų7317%0.17435%0.348CS..EExtended strand (participates in β ladder)trans-100107174.1-171.1-179.9-65.6-149.40108.6F191 S192 G194 D197 R241 A251F191-R239 HydrophobicContact CE2-CB 4.24Å; F191-R239 HydrophobicContact CZ-CB 4.34Å; F191-R239 PolarHBondContact O-NH2 2.88Å; S192-R239 PolarHBondContact O-NH2 2.93Å; G194-R239 VanDerWaalsContact CA-NH1 3.34Å; D197-R239 HydrophobicContact CB-CB 4.29Å; D197-R239 PolarHBondContact O-N 2.96Å; R239-R241 HydrophobicContact CG-CG 4.41Å; R239-R241 PolarHBondContact O-N 2.81Å; R239-A251 CarbonylContact C-O 3.6Å
240F89.5Confident87.1Confident77 Ų7774.3 Ų74.334%0.33836%0.359SS..EExtended strand (participates in β ladder)trans-86.7103.6176.5-175.4-114.5000109.9F238 H242 S250 A251 F253F238-F240 HydrophobicContact CD1-CB 4.31Å; F238-F240 HydrophobicContact CE1-CB 3.7Å; F238-F240 AromaticContact CE1-CD2 3.83Å; F238-F240 HydrophobicContact CE1-CD2 3.83Å; F238-F240 HydrophobicContact CE1-CG 4.2Å; F238-F240 HydrophobicContact CZ-CB 4.15Å; F238-F240 AromaticContact CZ-CD2 3.88Å; F238-F240 HydrophobicContact CZ-CD2 3.88Å; F240-H242 HydrophobicContact CD1-CB 4.17Å; F240-H242 AromaticContact CD1-ND1 3.62Å; F240-H242 HydrophobicContact CE1-CB 3.54Å; F240-H242 AromaticContact CE1-CG 3.61Å; F240-H242 AromaticContact CE1-ND1 3.65Å; F240-H242 HydrophobicContact CZ-CB 3.9Å; F240-S250 WeakPolarHBondContact O-CA 3.36Å; F240-A251 PolarHBondContact N-O 2.78Å; F240-A251 PolarHBondContact O-N 2.93Å; F240-F253 HydrophobicContact CB-CD2 4.04Å; F240-F253 HydrophobicContact CB-CE2 3.75Å; F240-F253 HydrophobicContact CG-CE2 4.47Å
241R87.7Confident87.6Confident95 Ų9570 Ų7036%0.35834%0.341SS..EExtended strand (participates in β ladder)trans-90.3124.3171.7-55.7-175-163.5-159.51.6109.1G194 D197 R239 H249G194-R241 PolarHBondContact O-NH2 2.93Å; D197-R241 IonicContact OD1-CZ 3.14Å; D197-R241 IonicContact OD1-NE 2.81Å; D197-R241 PolarHBondContact OD1-NE 3.17Å; D197-R241 IonicContact OD1-NH2 2.72Å; D197-R241 PolarHBondContact OD1-NH2 3.11Å; D197-R241 IonicContact OD2-CZ 3.97Å; D197-R241 IonicContact OD2-NE 3.51Å; R239-R241 HydrophobicContact CG-CG 4.41Å; R239-R241 PolarHBondContact O-N 2.81Å; R241-H249 WeakPolarHBondContact CA-O 3.41Å
242H85.6Confident88.2Confident68 Ų6863.6 Ų63.632%0.31531%0.314SS..EExtended strand (participates in β ladder)trans-141.7148.7177.168.7-69.3000110.5F240 H249F240-H242 HydrophobicContact CD1-CB 4.17Å; F240-H242 AromaticContact CD1-ND1 3.62Å; F240-H242 HydrophobicContact CE1-CB 3.54Å; F240-H242 AromaticContact CE1-CG 3.61Å; F240-H242 AromaticContact CE1-ND1 3.65Å; F240-H242 HydrophobicContact CZ-CB 3.9Å; H242-H249 PolarHBondContact N-O 3.46Å; H242-H249 PolarHBondContact ND1-O 2.93Å; H242-H249 PolarHBondContact O-N 3.34Å; H242-H249 VanDerWaalsContact O-O 3.1Å
243M84.5Confident88.7Confident145 Ų14562 Ų6271%0.71431%0.306SS*.EExtended strand (participates in β ladder)trans-88.9122.7171.6-66.3-170.980.900109.3E247M243-E247 WeakPolarHBondContact CA-O 3.48Å
244F82.1Confident89Confident114 Ų11462 Ų6250%0.531%0.306SS..EExtended strand (participates in β ladder)trans-125.2124.9172.4-176.7-108000108.5G246 E247F244-G246 PolarHBondContact O-N 2.91Å; F244-G246 VanDerWaalsContact O-N 3.11Å; F244-E247 PolarHBondContact N-O 3.26Å; F244-E247 PolarHBondContact O-N 3Å
245K84.2Confident89Confident186 Ų18661.4 Ų61.481%0.80930%0.304SS*.THydrogen-bonded Turntrans54.227.7-177-62.4-179.7174.8-179.30115.3E247K245-E247 VanDerWaalsContact C-N 3.3Å
246G82.7Confident88.9Confident61 Ų6161.8 Ų61.863%0.62931%0.306SS*.THydrogen-bonded Turntrans85.8-3.3-179.800000114.6F244F244-G246 PolarHBondContact O-N 2.91Å; F244-G246 VanDerWaalsContact O-N 3.11Å
247E85.5Confident88.7Confident130 Ų13062 Ų6261%0.60731%0.307SS*.EExtended strand (participates in β ladder)trans-98.5141.5172.2-65-176.4172.800110.2M243 F244 K245 H249M243-E247 WeakPolarHBondContact CA-O 3.48Å; F244-E247 PolarHBondContact N-O 3.26Å; F244-E247 PolarHBondContact O-N 3Å; K245-E247 VanDerWaalsContact C-N 3.3Å; E247-H249 PolarHBondContact O-CD2 3.44Å; E247-H249 IonicContact OE2-CE1 3.97Å; E247-H249 IonicContact OE2-NE2 2.98Å
248E83.8Confident88.2Confident138 Ų13863.5 Ų63.565%0.64532%0.315SS*.EExtended strand (participates in β ladder)trans-81.8115.8174.6-167.9-176.7172.900109.1
249H86.4Confident87.4Confident71 Ų7163.5 Ų63.533%0.32932%0.316SS..EExtended strand (participates in β ladder)trans-111135.8176.1-66.9-84.3000110.2R241 H242 E247R241-H249 WeakPolarHBondContact CA-O 3.41Å; H242-H249 PolarHBondContact N-O 3.46Å; H242-H249 PolarHBondContact ND1-O 2.93Å; H242-H249 PolarHBondContact O-N 3.34Å; H242-H249 VanDerWaalsContact O-O 3.1Å; E247-H249 PolarHBondContact O-CD2 3.44Å; E247-H249 IonicContact OE2-CE1 3.97Å; E247-H249 IonicContact OE2-NE2 2.98Å
250S88.1Confident86.4Confident71 Ų7162.7 Ų62.750%0.49732%0.321SS..EExtended strand (participates in β ladder)trans-115.6127.5172.3640000110.5F240F240-S250 WeakPolarHBondContact O-CA 3.36Å
251A89.9Confident85.8Confident16 Ų1666.5 Ų66.513%0.13235%0.345CS..EExtended strand (participates in β ladder)trans-118.1136.4172.300000110.5R239 F240 F253 D291R239-A251 CarbonylContact C-O 3.6Å; F240-A251 PolarHBondContact N-O 2.78Å; F240-A251 PolarHBondContact O-N 2.93Å; A251-F253 HydrophobicContact CB-CE2 3.82Å; A251-D291 WeakPolarHBondContact CA-OD2 3.31Å; A251-D291 HydrophobicContact CB-CB 4.5Å
252T92.5Very high85.3Confident10 Ų1067 Ų676%0.06135%0.352CS..EExtended strand (participates in β ladder)trans-102.7121.4-177.1-52.90000110.8F191 F238 I288 T289 F290 D291 H292F191-T252 HydrophobicContact CE1-CG2 3.89Å; F191-T252 HydrophobicContact CZ-CG2 3.88Å; F238-T252 CarbonylContact O-C 3.6Å; T252-I288 HydrophobicContact CG2-CG2 4.26Å; T252-T289 VanDerWaalsContact CB-O 3.24Å; T252-T289 WeakPolarHBondContact CB-O 3.5Å; T252-F290 HydrophobicContact CG2-CD1 3.73Å; T252-F290 HydrophobicContact CG2-CE1 3.92Å; T252-D291 PolarHBondContact N-OD2 3.06Å; T252-D291 PolarHBondContact O-N 3.16Å; T252-H292 PolarHBondContact O-N 2.81Å
253F93.1Very high85.2Confident48 Ų4864.1 Ų64.121%0.21134%0.339CS..EExtended strand (participates in β ladder)trans-106.4129.9-179.5-69.3-100.4000110.6F238 F240 A251 I255 H292 V294F238-F253 HydrophobicContact CB-CB 4.37Å; F238-F253 HydrophobicContact CD1-CB 4.47Å; F238-F253 HydrophobicContact CD1-CD2 4.33Å; F238-F253 PolarHBondContact N-O 2.95Å; F238-F253 PolarHBondContact O-N 2.9Å; F240-F253 HydrophobicContact CB-CD2 4.04Å; F240-F253 HydrophobicContact CB-CE2 3.75Å; F240-F253 HydrophobicContact CG-CE2 4.47Å; A251-F253 HydrophobicContact CB-CE2 3.82Å; F253-I255 HydrophobicContact CB-CD1 4.43Å; F253-I255 HydrophobicContact CB-CG1 4.19Å; F253-H292 WeakPolarHBondContact CA-O 3.42Å; F253-H292 HydrophobicContact CD1-CB 3.44Å; F253-H292 VanDerWaalsContact CD1-CB 3.44Å; F253-H292 HydrophobicContact CE1-CB 3.47Å; F253-H292 VanDerWaalsContact CE1-CB 3.47Å; F253-H292 AromaticContact CE1-CD2 3.49Å; F253-H292 VanDerWaalsContact CE1-CD2 3.49Å; F253-H292 WeakPolarHBondContact CE1-CD2 3.04Å; F253-H292 AromaticContact CE1-CG 3.63Å; F253-H292 HydrophobicContact CG-CB 4.21Å; F253-H292 HydrophobicContact CZ-CB 4.27Å; F253-H292 AromaticContact CZ-CD2 3.44Å; F253-H292 VanDerWaalsContact CZ-CD2 3.44Å; F253-H292 WeakPolarHBondContact CZ-CD2 3.5Å; F253-V294 HydrophobicContact CD1-CG2 4.3Å
254F94.3Very high85.3Confident0 Ų061.6 Ų61.60%033%0.333CS..EExtended strand (participates in β ladder)trans-98111.9161.3-178.5-91.4000108.8Y235 L237 H256 K275 L278 L279 L282 F290 H292 R293 V294Y235-F254 HydrophobicContact CD1-CE1 4.06Å; Y235-F254 HydrophobicContact CD1-CE2 4.38Å; Y235-F254 AromaticContact CD1-CZ 3.49Å; Y235-F254 HydrophobicContact CD1-CZ 3.49Å; Y235-F254 VanDerWaalsContact CD1-CZ 3.49Å; Y235-F254 HydrophobicContact CE1-CZ 4.11Å; Y235-F254 HydrophobicContact CG-CE2 4.38Å; Y235-F254 AromaticContact CG-CZ 3.9Å; Y235-F254 HydrophobicContact CG-CZ 3.9Å; L237-F254 HydrophobicContact CD2-CD2 3.49Å; L237-F254 VanDerWaalsContact CD2-CD2 3.49Å; L237-F254 HydrophobicContact CD2-CE2 3.97Å; F254-H256 HydrophobicContact CE1-CB 4.07Å; F254-K275 HydrophobicContact CE1-CD 4.14Å; F254-K275 HydrophobicContact CE1-CG 3.85Å; F254-K275 HydrophobicContact CZ-CG 4.23Å; F254-L278 HydrophobicContact CE2-CD2 4.18Å; F254-L278 HydrophobicContact CZ-CD2 4.31Å; F254-L279 HydrophobicContact CB-CD2 4.04Å; F254-L279 HydrophobicContact CD1-CD1 4.37Å; F254-L279 HydrophobicContact CD1-CD2 3.9Å; F254-L279 HydrophobicContact CD1-CG 4.37Å; F254-L279 HydrophobicContact CD2-CD2 3.54Å; F254-L279 HydrophobicContact CD2-CG 4.38Å; F254-L279 HydrophobicContact CE1-CD1 4.32Å; F254-L279 HydrophobicContact CE1-CD2 4.21Å; F254-L279 HydrophobicContact CE1-CG 4.24Å; F254-L279 HydrophobicContact CE2-CD2 3.89Å; F254-L279 HydrophobicContact CE2-CG 4.26Å; F254-L279 HydrophobicContact CG-CD2 3.55Å; F254-L279 HydrophobicContact CG-CG 4.43Å; F254-L279 HydrophobicContact CZ-CD2 4.2Å; F254-L279 HydrophobicContact CZ-CG 4.18Å; F254-L282 HydrophobicContact CE2-CD1 4.34Å; F254-F290 HydrophobicContact CB-CD1 3.67Å; F254-F290 HydrophobicContact CB-CE1 3.91Å; F254-F290 HydrophobicContact CB-CG 4.11Å; F254-F290 HydrophobicContact CD2-CE1 4.28Å; F254-F290 HydrophobicContact CD2-CZ 4.24Å; F254-H292 PolarHBondContact N-O 2.64Å; F254-R293 HydrophobicContact CB-CG 4.37Å; F254-R293 CarbonylContact O-C 3.54Å; F254-R293 WeakPolarHBondContact O-CA 3.5Å; F254-V294 PolarHBondContact O-N 3.19Å
255I92.3Very high85.6Confident4 Ų462.3 Ų62.32%0.02134%0.341CS..EExtended strand (participates in β ladder)trans-109.2124.2-179.8-52.2161.3000108.3Y235 H236 F238 F253 T257 V294 L296 M299 M302Y235-I255 CarbonylContact C-O 3.55Å; Y235-I255 WeakPolarHBondContact CA-O 3.27Å; H236-I255 HydrophobicContact CB-CB 4.11Å; H236-I255 PolarHBondContact CD2-O 2.8Å; H236-I255 PolarHBondContact N-O 2.81Å; H236-I255 PolarHBondContact O-N 3.24Å; F238-I255 HydrophobicContact CB-CD1 4.36Å; F253-I255 HydrophobicContact CB-CD1 4.43Å; F253-I255 HydrophobicContact CB-CG1 4.19Å; I255-T257 HydrophobicContact CG2-CG2 4.17Å; I255-V294 CarbonylContact C-O 3.56Å; I255-V294 WeakPolarHBondContact CA-O 3.5Å; I255-L296 HydrophobicContact CG2-CD1 3.85Å; I255-L296 HydrophobicContact CG2-CG 4.33Å; I255-M299 HydrophobicContact CG2-CE 4.22Å; I255-M302 HydrophobicContact CD1-CE 3.63Å; I255-M302 HydrophobicContact CD1-SD 3.97Å; I255-M302 HydrophobicContact CG2-SD 4.35Å
256H91.6Very high85.8Confident9 Ų959.9 Ų59.94%0.04233%0.331CS..EExtended strand (participates in β ladder)trans-106.7115173.9176.1-153.3000109.2Y235 F254 I258 Y271 K275 V294 S295 L296Y235-H256 HydrophobicContact CD1-CB 4.15Å; Y235-H256 AromaticContact CD1-CD2 3.48Å; Y235-H256 VanDerWaalsContact CD1-CD2 3.48Å; Y235-H256 WeakPolarHBondContact CD1-CD2 3.47Å; Y235-H256 AromaticContact CD1-CG 3.99Å; Y235-H256 AromaticContact CE1-CD2 3.34Å; Y235-H256 WeakPolarHBondContact CE1-CD2 3.48Å; Y235-H256 AromaticContact CE1-CG 3.93Å; Y235-H256 AromaticContact CE1-NE2 3.61Å; F254-H256 HydrophobicContact CE1-CB 4.07Å; H256-I258 WeakPolarHBondContact CE1-CD1 3.39Å; H256-I258 VanDerWaalsContact NE2-CD1 3.29Å; H256-I258 WeakPolarHBondContact NE2-CD1 3.41Å; H256-I258 WeakPolarHBondContact NE2-CG1 3.47Å; H256-Y271 PolarHBondContact CE1-O 2.81Å; H256-Y271 PolarHBondContact NE2-O 2.96Å; H256-K275 HydrophobicContact CB-CD 4.47Å; H256-V294 PolarHBondContact N-O 3.25Å; H256-S295 CarbonylContact O-C 3.59Å; H256-S295 WeakPolarHBondContact O-CA 3.44Å; H256-L296 PolarHBondContact O-N 2.75Å
257T89.5Confident86.1Confident5 Ų557.5 Ų57.53%0.03130%0.304CS..EExtended strand (participates in β ladder)trans-102.8125.2175.255.80000109.7G233 R234 H236 I255 L296 M299G233-T257 CarbonylContact C-O 3.59Å; G233-T257 WeakPolarHBondContact CA-O 3.37Å; R234-T257 PolarHBondContact N-O 2.75Å; R234-T257 PolarHBondContact N-OG1 2.76Å; R234-T257 PolarHBondContact O-N 3.22Å; R234-T257 PolarHBondContact O-OG1 2.98Å; R234-T257 VanDerWaalsContact O-OG1 3.06Å; H236-T257 WeakPolarHBondContact NE2-CG2 3.35Å; H236-T257 PolarHBondContact NE2-OG1 3Å; I255-T257 HydrophobicContact CG2-CG2 4.17Å; T257-L296 WeakPolarHBondContact CA-O 3.26Å; T257-L296 HydrophobicContact CG2-CB 4.5Å; T257-M299 HydrophobicContact CG2-CE 3.6Å; T257-M299 HydrophobicContact CG2-CG 3.64Å; T257-M299 HydrophobicContact CG2-SD 4.41Å
258I83.8Confident86.3Confident31 Ų3154.7 Ų54.716%0.15929%0.288CS..  trans-124.1111.7167.4-63.1177.1000107.3H256 G260 R268 S272 L296 K297H256-I258 WeakPolarHBondContact CE1-CD1 3.39Å; H256-I258 VanDerWaalsContact NE2-CD1 3.29Å; H256-I258 WeakPolarHBondContact NE2-CD1 3.41Å; H256-I258 WeakPolarHBondContact NE2-CG1 3.47Å; I258-G260 PolarHBondContact O-N 2.88Å; I258-R268 HydrophobicContact CG2-CB 4.01Å; I258-R268 HydrophobicContact CG2-CG 3.59Å; I258-S272 VanDerWaalsContact CD1-OG 3.24Å; I258-S272 WeakPolarHBondContact CD1-OG 3.14Å; I258-L296 PolarHBondContact N-O 3.32Å; I258-L296 VanDerWaalsContact N-O 3.12Å; I258-K297 WeakPolarHBondContact O-CA 3.48Å
259S76.5Confident86.5Confident9 Ų953.2 Ų53.26%0.06328%0.283CS..  trans-61.7124.7168.2-178.50000109.6E230 Q262 S263E230-S259 WeakPolarHBondContact O-CB 3.31Å; E230-S259 PolarHBondContact O-OG 2.82Å; S259-Q262 WeakPolarHBondContact OG-CB 3.4Å; S259-S263 PolarHBondContact O-OG 2.82Å
260G71.4Confident86.8Confident28 Ų2850.6 Ų50.629%0.28927%0.271SS..THydrogen-bonded Turntrans-55-105.3-172.600000113.8I258 Q262 R268I258-G260 PolarHBondContact O-N 2.88Å; G260-Q262 PolarHBondContact O-N 2.95Å; G260-R268 VanDerWaalsContact O-CD 3.23Å; G260-R268 WeakPolarHBondContact O-CD 3.4Å; G260-R268 PolarHBondContact O-NH1 3.22Å
261N76.1Confident86.9Confident157 Ų15747.4 Ų47.484%0.8425%0.248SC*.THydrogen-bonded Turntrans-80-2.6-174.7-69.6-10.8000114R268N261-R268 PolarHBondContact OD1-NH1 3.2Å
262Q78.6Confident86.9Confident107 Ų10749.7 Ų49.750%0.526%0.263SS..THydrogen-bonded Turntrans-88.2-11.8-175.6-50.5-177.8-4.200113.4E230 K231 S259 G260E230-Q262 PolarHBondContact O-OE1 2.95Å; E230-Q262 VanDerWaalsContact O-OE1 3.06Å; K231-Q262 HydrophobicContact CB-CB 4.47Å; K231-Q262 HydrophobicContact CG-CB 4.2Å; S259-Q262 WeakPolarHBondContact OG-CB 3.4Å; G260-Q262 PolarHBondContact O-N 2.95Å
263S82.7Confident86.7Confident7 Ų751 Ų515%0.04927%0.273CS..SBendtrans-108.8145.8178.867.60000111.8K231 S259 R268K231-S263 WeakPolarHBondContact O-CB 3.47Å; S259-S263 PolarHBondContact O-OG 2.82Å; S263-R268 VanDerWaalsContact OG-CD 3.28Å; S263-R268 WeakPolarHBondContact OG-CD 3.28Å; S263-R268 WeakPolarHBondContact OG-CG 3.48Å
264P86.4Confident86.7Confident91 Ų9148.8 Ų48.859%0.59126%0.263SS*.  trans-58.1144.2178.8-24.733.6000112.4K266 S267 R268P264-K266 VanDerWaalsContact C-N 3.25Å; P264-K266 PolarHBondContact O-N 3.48Å; P264-S267 WeakPolarHBondContact O-CB 3.39Å; P264-S267 PolarHBondContact O-N 3Å; P264-R268 PolarHBondContact O-N 3.43Å; P264-R268 VanDerWaalsContact O-N 3.12Å
265I88.6Confident86.5Confident129 Ų12950.9 Ų50.966%0.66227%0.272SS*.Hα-helixtrans-51.3-45.5178.6-62.8166.5000111.3S267 R268 M269I265-S267 VanDerWaalsContact C-N 3.29Å; I265-S267 PolarHBondContact O-N 3.08Å; I265-R268 PolarHBondContact O-N 3.05Å; I265-M269 WeakPolarHBondContact O-CB 3.31Å; I265-M269 PolarHBondContact O-N 3.48Å
266K88.6Confident86.4Confident136 Ų13653.5 Ų53.559%0.59130%0.295SS*.Hα-helixtrans-56.1-42.3177.8-174.6175.6-179.7179.50112.2I205 P264 L270I205-K266 HydrophobicContact CG2-CD 4.42Å; P264-K266 VanDerWaalsContact C-N 3.25Å; P264-K266 PolarHBondContact O-N 3.48Å; K266-L270 HydrophobicContact CG-CD1 4.09Å; K266-L270 WeakPolarHBondContact O-CB 3.12Å; K266-L270 VanDerWaalsContact O-CG 3.29Å; K266-L270 WeakPolarHBondContact O-CG 3.29Å; K266-L270 PolarHBondContact O-N 2.82Å
267S88.7Confident86.4Confident11 Ų1154.3 Ų54.38%0.07730%0.303CS..Hα-helixtrans-63.9-52.6177.4-175.90000110.6P264 I265 M269 L270 Y271P264-S267 WeakPolarHBondContact O-CB 3.39Å; P264-S267 PolarHBondContact O-N 3Å; I265-S267 VanDerWaalsContact C-N 3.29Å; I265-S267 PolarHBondContact O-N 3.08Å; S267-M269 VanDerWaalsContact C-N 3.29Å; S267-M269 PolarHBondContact O-N 3.33Å; S267-L270 PolarHBondContact O-N 2.92Å; S267-L270 VanDerWaalsContact O-N 3.13Å; S267-Y271 VanDerWaalsContact O-CD2 3.32Å; S267-Y271 WeakPolarHBondContact O-CD2 3.49Å; S267-Y271 PolarHBondContact O-N 3.34Å
268R89.2Confident86.6Confident70 Ų7054.3 Ų54.326%0.26430%0.303SS..Hα-helixtrans-56.4-44180-60.7-169.8-71176.44.6112.6I258 G260 N261 S263 P264 I265 S272I258-R268 HydrophobicContact CG2-CB 4.01Å; I258-R268 HydrophobicContact CG2-CG 3.59Å; G260-R268 VanDerWaalsContact O-CD 3.23Å; G260-R268 WeakPolarHBondContact O-CD 3.4Å; G260-R268 PolarHBondContact O-NH1 3.22Å; N261-R268 PolarHBondContact OD1-NH1 3.2Å; S263-R268 VanDerWaalsContact OG-CD 3.28Å; S263-R268 WeakPolarHBondContact OG-CD 3.28Å; S263-R268 WeakPolarHBondContact OG-CG 3.48Å; P264-R268 PolarHBondContact O-N 3.43Å; P264-R268 VanDerWaalsContact O-N 3.12Å; I265-R268 PolarHBondContact O-N 3.05Å; R268-S272 WeakPolarHBondContact O-CB 3.13Å; R268-S272 PolarHBondContact O-N 2.63Å; R268-S272 PolarHBondContact O-OG 2.75Å
269M89.4Confident87Confident108 Ų10853.2 Ų53.253%0.53230%0.297SS..Hα-helixtrans-60.5-50.6176.7-174.6-173.577.700111I265 S267 Y271 S272 S273I265-M269 WeakPolarHBondContact O-CB 3.31Å; I265-M269 PolarHBondContact O-N 3.48Å; S267-M269 VanDerWaalsContact C-N 3.29Å; S267-M269 PolarHBondContact O-N 3.33Å; M269-Y271 PolarHBondContact O-N 2.94Å; M269-S272 PolarHBondContact O-N 3Å; M269-S272 VanDerWaalsContact O-N 3.08Å; M269-S273 WeakPolarHBondContact O-CB 3.48Å; M269-S273 PolarHBondContact O-N 2.75Å; M269-S273 PolarHBondContact O-OG 3.38Å; M269-S273 VanDerWaalsContact O-OG 3.06Å
270L91Very high87.6Confident16 Ų1655.5 Ų55.58%0.08431%0.311CS..Hα-helixtrans-63.2-41.8-179.4-72.2172000113F178 I205 K266 S267 S272 S273 C274F178-L270 HydrophobicContact CE1-CD2 4.29Å; F178-L270 HydrophobicContact CE2-CD1 4.44Å; F178-L270 HydrophobicContact CE2-CD2 4.46Å; F178-L270 HydrophobicContact CZ-CD1 4.12Å; F178-L270 HydrophobicContact CZ-CD2 3.72Å; F178-L270 HydrophobicContact CZ-CG 4.39Å; I205-L270 HydrophobicContact CB-CD1 4.26Å; I205-L270 HydrophobicContact CG1-CD1 4Å; I205-L270 HydrophobicContact CG2-CD1 3.59Å; K266-L270 HydrophobicContact CG-CD1 4.09Å; K266-L270 WeakPolarHBondContact O-CB 3.12Å; K266-L270 VanDerWaalsContact O-CG 3.29Å; K266-L270 WeakPolarHBondContact O-CG 3.29Å; K266-L270 PolarHBondContact O-N 2.82Å; S267-L270 PolarHBondContact O-N 2.92Å; S267-L270 VanDerWaalsContact O-N 3.13Å; L270-S272 VanDerWaalsContact C-N 3.27Å; L270-S272 PolarHBondContact O-N 3.17Å; L270-S273 PolarHBondContact O-N 3.3Å; L270-C274 VanDerWaalsContact O-CB 3.25Å; L270-C274 WeakPolarHBondContact O-CB 3.47Å; L270-C274 PolarHBondContact O-N 3.03Å; L270-C274 PolarHBondContact O-SG 2.83Å
271Y90.5Very high88.6Confident4 Ų457.1 Ų57.12%0.01631%0.308CS..Hα-helixtrans-63.9-32.5173.2-85.9-88000112.2K202 C203 G233 Y235 H256 S267 M269K202-Y271 WeakPolarHBondContact CG-OH 3.37Å; C203-Y271 HydrophobicContact CB-CD2 4.34Å; C203-Y271 HydrophobicContact CB-CE1 4.01Å; C203-Y271 HydrophobicContact CB-CE2 3.82Å; C203-Y271 PolarHBondContact N-OH 2.91Å; C203-Y271 PolarHBondContact O-OH 2.94Å; G233-Y271 VanDerWaalsContact C-CE1 3.49Å; G233-Y271 WeakPolarHBondContact O-CE1 3.44Å; G233-Y271 PolarHBondContact O-OH 2.96Å; Y235-Y271 HydrophobicContact CD2-CD1 4.42Å; Y235-Y271 HydrophobicContact CD2-CE1 4.43Å; Y235-Y271 HydrophobicContact CE1-CD1 4.15Å; Y235-Y271 AromaticContact CE2-CD1 3.92Å; Y235-Y271 HydrophobicContact CE2-CD1 3.92Å; Y235-Y271 HydrophobicContact CE2-CE1 4.21Å; Y235-Y271 AromaticContact CZ-CD1 3.79Å; Y235-Y271 WeakPolarHBondContact OH-CA 3.42Å; Y235-Y271 PolarHBondContact OH-O 2.8Å; H256-Y271 PolarHBondContact CE1-O 2.81Å; H256-Y271 PolarHBondContact NE2-O 2.96Å; S267-Y271 VanDerWaalsContact O-CD2 3.32Å; S267-Y271 WeakPolarHBondContact O-CD2 3.49Å; S267-Y271 PolarHBondContact O-N 3.34Å; M269-Y271 PolarHBondContact O-N 2.94Å
272S89.5Confident89.4Confident64 Ų6449.6 Ų49.645%0.44827%0.268SS..Hα-helixtrans-74.3-44.3176.1-56.40000111.6I258 R268 M269 L270I258-S272 VanDerWaalsContact CD1-OG 3.24Å; I258-S272 WeakPolarHBondContact CD1-OG 3.14Å; R268-S272 WeakPolarHBondContact O-CB 3.13Å; R268-S272 PolarHBondContact O-N 2.63Å; R268-S272 PolarHBondContact O-OG 2.75Å; M269-S272 PolarHBondContact O-N 3Å; M269-S272 VanDerWaalsContact O-N 3.08Å; L270-S272 VanDerWaalsContact C-N 3.27Å; L270-S272 PolarHBondContact O-N 3.17Å
273S89.9Confident90Very high38 Ų3847.7 Ų47.727%0.26626%0.259SS..Hα-helixtrans-72.1-31.3-177.4-57.70000113.7V176 M269 L270V176-S273 PolarHBondContact N-O 3.12Å; M269-S273 WeakPolarHBondContact O-CB 3.48Å; M269-S273 PolarHBondContact O-N 2.75Å; M269-S273 PolarHBondContact O-OG 3.38Å; M269-S273 VanDerWaalsContact O-OG 3.06Å; L270-S273 PolarHBondContact O-N 3.3Å
274C91.6Very high90.5Very high1 Ų157.2 Ų57.21%0.00729%0.294CS..Hα-helixtrans-80.2-19.4-179.7-65.40000113.7V176 Y235 L270 A276 A277 L278V176-C274 VanDerWaalsContact O-CA 3.3Å; V176-C274 WeakPolarHBondContact O-CA 3.3Å; Y235-C274 WeakPolarHBondContact OH-CB 3.48Å; L270-C274 VanDerWaalsContact O-CB 3.25Å; L270-C274 WeakPolarHBondContact O-CB 3.47Å; L270-C274 PolarHBondContact O-N 3.03Å; L270-C274 PolarHBondContact O-SG 2.83Å; C274-A276 PolarHBondContact O-N 3.06Å; C274-A277 PolarHBondContact O-N 3.24Å; C274-L278 VanDerWaalsContact O-CB 3.29Å; C274-L278 WeakPolarHBondContact O-CB 3.36Å; C274-L278 PolarHBondContact O-N 2.61Å
275K91.4Very high90.7Very high43 Ų4356.7 Ų56.719%0.18728%0.284CS..Hα-helixtrans-53.7-49.3-175.2176.1179173.1-179.10112.8Y235 F254 H256 L278 L279 S295Y235-K275 HydrophobicContact CE1-CB 4.19Å; Y235-K275 PolarHBondContact OH-N 2.87Å; F254-K275 HydrophobicContact CE1-CD 4.14Å; F254-K275 HydrophobicContact CE1-CG 3.85Å; F254-K275 HydrophobicContact CZ-CG 4.23Å; H256-K275 HydrophobicContact CB-CD 4.47Å; K275-L278 PolarHBondContact O-N 3.13Å; K275-L279 HydrophobicContact CG-CD1 3.93Å; K275-L279 WeakPolarHBondContact O-CB 3.39Å; K275-L279 WeakPolarHBondContact O-CG 3.24Å; K275-L279 PolarHBondContact O-N 3.41Å; K275-S295 PolarHBondContact NZ-OG 3.14Å; K275-S295 VanDerWaalsContact NZ-OG 3.11Å
276A90.6Very high90.9Very high60 Ų6051 Ų5150%0.49625%0.254SS..Hα-helixtrans-67-43.7-175.300000112.4C274 T280C274-A276 PolarHBondContact O-N 3.06Å; A276-T280 WeakPolarHBondContact O-CB 3.22Å; A276-T280 PolarHBondContact O-N 2.53Å; A276-T280 PolarHBondContact O-OG1 3.32Å
277A91Very high90.9Very high26 Ų2652.2 Ų52.222%0.21526%0.262CS..Hα-helixtrans-64.8-42.9176.300000111.5C274 T280 R281C274-A277 PolarHBondContact O-N 3.24Å; A277-T280 PolarHBondContact O-N 3.48Å; A277-R281 WeakPolarHBondContact O-CB 3.39Å; A277-R281 PolarHBondContact O-N 3.49Å
278L92.3Very high91Very high4 Ų452.1 Ų52.12%0.02126%0.261CS..Hα-helixtrans-61.9-48.6176.2176.963.7000111.6L180 L201 I210 Y235 F254 C274 K275 T280 R281 L282L180-L278 HydrophobicContact CD2-CD1 4.1Å; L201-L278 HydrophobicContact CD1-CD2 4.12Å; I210-L278 HydrophobicContact CD1-CB 4.2Å; I210-L278 HydrophobicContact CD1-CD1 3.93Å; I210-L278 HydrophobicContact CD1-CD2 4.22Å; I210-L278 HydrophobicContact CD1-CG 4.33Å; I210-L278 HydrophobicContact CG2-CD1 4.44Å; Y235-L278 HydrophobicContact CD2-CD2 3.37Å; Y235-L278 HydrophobicContact CE2-CD2 3.54Å; Y235-L278 HydrophobicContact CG-CD2 3.88Å; F254-L278 HydrophobicContact CE2-CD2 4.18Å; F254-L278 HydrophobicContact CZ-CD2 4.31Å; C274-L278 VanDerWaalsContact O-CB 3.29Å; C274-L278 WeakPolarHBondContact O-CB 3.36Å; C274-L278 PolarHBondContact O-N 2.61Å; K275-L278 PolarHBondContact O-N 3.13Å; L278-T280 PolarHBondContact O-N 3.23Å; L278-R281 WeakPolarHBondContact O-CB 3.32Å; L278-R281 PolarHBondContact O-N 2.93Å; L278-L282 HydrophobicContact CD1-CD1 4.01Å; L278-L282 HydrophobicContact CD1-CD2 4.47Å; L278-L282 HydrophobicContact CD1-CG 4.03Å; L278-L282 HydrophobicContact CD2-CD1 4.49Å; L278-L282 HydrophobicContact CG-CD1 3.87Å; L278-L282 HydrophobicContact CG-CG 4.3Å; L278-L282 VanDerWaalsContact O-CG 3.29Å; L278-L282 WeakPolarHBondContact O-CG 3.44Å; L278-L282 PolarHBondContact O-N 2.94Å
279L92.5Very high91.1Very high9 Ų953.8 Ų53.85%0.04728%0.279CS..Hα-helixtrans-57.3-49.4177.5-81170.3000111.6F254 K275 R281 L282 E283 F290F254-L279 HydrophobicContact CB-CD2 4.04Å; F254-L279 HydrophobicContact CD1-CD1 4.37Å; F254-L279 HydrophobicContact CD1-CD2 3.9Å; F254-L279 HydrophobicContact CD1-CG 4.37Å; F254-L279 HydrophobicContact CD2-CD2 3.54Å; F254-L279 HydrophobicContact CD2-CG 4.38Å; F254-L279 HydrophobicContact CE1-CD1 4.32Å; F254-L279 HydrophobicContact CE1-CD2 4.21Å; F254-L279 HydrophobicContact CE1-CG 4.24Å; F254-L279 HydrophobicContact CE2-CD2 3.89Å; F254-L279 HydrophobicContact CE2-CG 4.26Å; F254-L279 HydrophobicContact CG-CD2 3.55Å; F254-L279 HydrophobicContact CG-CG 4.43Å; F254-L279 HydrophobicContact CZ-CD2 4.2Å; F254-L279 HydrophobicContact CZ-CG 4.18Å; K275-L279 HydrophobicContact CG-CD1 3.93Å; K275-L279 WeakPolarHBondContact O-CB 3.39Å; K275-L279 WeakPolarHBondContact O-CG 3.24Å; K275-L279 PolarHBondContact O-N 3.41Å; L279-R281 PolarHBondContact O-N 3.44Å; L279-L282 PolarHBondContact O-N 3.07Å; L279-E283 WeakPolarHBondContact O-CB 3.35Å; L279-E283 WeakPolarHBondContact O-CG 3.22Å; L279-E283 PolarHBondContact O-N 2.89Å; L279-F290 HydrophobicContact CD2-CD2 3.86Å; L279-F290 HydrophobicContact CD2-CE2 3.89Å; L279-F290 HydrophobicContact CD2-CG 4.49Å
280T90.7Very high91.2Very high57 Ų5749.8 Ų49.835%0.3526%0.258SS..Hα-helixtrans-58.6-38.6178.2-56.40000111.4A276 A277 L278 R284A276-T280 WeakPolarHBondContact O-CB 3.22Å; A276-T280 PolarHBondContact O-N 2.53Å; A276-T280 PolarHBondContact O-OG1 3.32Å; A277-T280 PolarHBondContact O-N 3.48Å; L278-T280 PolarHBondContact O-N 3.23Å; T280-R284 HydrophobicContact CG2-CG 4.4Å; T280-R284 VanDerWaalsContact O-CB 3.29Å; T280-R284 WeakPolarHBondContact O-CB 3.09Å; T280-R284 VanDerWaalsContact O-CG 3.3Å; T280-R284 WeakPolarHBondContact O-CG 3.21Å; T280-R284 PolarHBondContact O-N 3.4Å
281R90.7Very high91.2Very high61 Ų6153.4 Ų53.423%0.2328%0.278CS..Hα-helixtrans-70.2-43.1177.9-171.2172.9-174160.27.5112.3L180 A277 L278 L279 E283 R284 E285L180-R281 HydrophobicContact CD1-CG 4.25Å; A277-R281 WeakPolarHBondContact O-CB 3.39Å; A277-R281 PolarHBondContact O-N 3.49Å; L278-R281 WeakPolarHBondContact O-CB 3.32Å; L278-R281 PolarHBondContact O-N 2.93Å; L279-R281 PolarHBondContact O-N 3.44Å; R281-E283 VanDerWaalsContact C-N 3.32Å; R281-E283 PolarHBondContact O-N 3.26Å; R281-R284 PolarHBondContact O-N 2.76Å; R281-E285 HydrophobicContact CG-CB 4.34Å; R281-E285 WeakPolarHBondContact CG-OE2 3.29Å; R281-E285 IonicContact CZ-OE2 2.69Å; R281-E285 IonicContact NE-OE2 2.75Å; R281-E285 PolarHBondContact NE-OE2 3.44Å; R281-E285 IonicContact NH2-OE1 3.75Å; R281-E285 IonicContact NH2-OE2 2.76Å; R281-E285 PolarHBondContact NH2-OE2 3.1Å; R281-E285 WeakPolarHBondContact O-CB 3.41Å; R281-E285 PolarHBondContact O-N 3.22Å
282L92.8Very high91.3Very high0 Ų057.9 Ų57.90%030%0.298CS..Hα-helixtrans-62.4-40.5176.4-69172.8000111.6L188 L237 F254 L278 L279 F286 E287 I288 F290L188-L282 HydrophobicContact CD1-CD2 3.75Å; L188-L282 HydrophobicContact CD2-CD2 3.7Å; L188-L282 HydrophobicContact CG-CD2 4.29Å; L237-L282 HydrophobicContact CD1-CD1 4.17Å; L237-L282 HydrophobicContact CD1-CD2 4.38Å; L237-L282 HydrophobicContact CD2-CD1 3.9Å; F254-L282 HydrophobicContact CE2-CD1 4.34Å; L278-L282 HydrophobicContact CD1-CD1 4.01Å; L278-L282 HydrophobicContact CD1-CD2 4.47Å; L278-L282 HydrophobicContact CD1-CG 4.03Å; L278-L282 HydrophobicContact CD2-CD1 4.49Å; L278-L282 HydrophobicContact CG-CD1 3.87Å; L278-L282 HydrophobicContact CG-CG 4.3Å; L278-L282 VanDerWaalsContact O-CG 3.29Å; L278-L282 WeakPolarHBondContact O-CG 3.44Å; L278-L282 PolarHBondContact O-N 2.94Å; L279-L282 PolarHBondContact O-N 3.07Å; L282-F286 HydrophobicContact CD2-CD2 4.2Å; L282-F286 WeakPolarHBondContact O-CB 3.47Å; L282-F286 PolarHBondContact O-N 3.17Å; L282-E287 PolarHBondContact O-N 3.05Å; L282-I288 HydrophobicContact CB-CD1 4.47Å; L282-I288 HydrophobicContact CD2-CD1 4.19Å; L282-I288 PolarHBondContact O-N 3.17Å; L282-F290 HydrophobicContact CB-CE2 3.92Å; L282-F290 HydrophobicContact CB-CZ 4.2Å; L282-F290 HydrophobicContact CD1-CE2 4.28Å; L282-F290 HydrophobicContact CD1-CZ 3.96Å
283E92.5Very high91.4Very high66 Ų6661.3 Ų61.331%0.30830%0.302SS..Hα-helixtrans-70.7-42.6177.8-72.8170.5178.300112.3L279 R281 E287 I288 F290 R293L279-E283 WeakPolarHBondContact O-CB 3.35Å; L279-E283 WeakPolarHBondContact O-CG 3.22Å; L279-E283 PolarHBondContact O-N 2.89Å; R281-E283 VanDerWaalsContact C-N 3.32Å; R281-E283 PolarHBondContact O-N 3.26Å; E283-E287 VanDerWaalsContact O-CA 3.31Å; E283-E287 WeakPolarHBondContact O-CA 3.39Å; E283-E287 PolarHBondContact O-N 3.39Å; E283-I288 WeakPolarHBondContact CG-O 3.44Å; E283-F290 HydrophobicContact CG-CD2 4.08Å; E283-F290 HydrophobicContact CG-CE2 4.31Å; E283-R293 IonicContact OE1-CZ 3.24Å; E283-R293 IonicContact OE1-NE 3.62Å; E283-R293 IonicContact OE1-NH2 2.62Å; E283-R293 PolarHBondContact OE1-NH2 2.74Å; E283-R293 IonicContact OE2-NH2 3.89Å; E283-R293 PolarHBondContact OE2-NH2 3.21Å
284R92Very high91.4Very high207 Ų20761.9 Ų61.978%0.78130%0.303SS*.Hα-helixtrans-84.2-39.5-176.3-69.7-176.8-179.1175.30.5114.8T280 R281T280-R284 HydrophobicContact CG2-CG 4.4Å; T280-R284 VanDerWaalsContact O-CB 3.29Å; T280-R284 WeakPolarHBondContact O-CB 3.09Å; T280-R284 VanDerWaalsContact O-CG 3.3Å; T280-R284 WeakPolarHBondContact O-CG 3.21Å; T280-R284 PolarHBondContact O-N 3.4Å; R281-R284 PolarHBondContact O-N 2.76Å
285E92Very high91.2Very high80 Ų8065.5 Ų65.537%0.37433%0.329SS..Hα-helixtrans-92.8-26.5-171.9-171.3172.1-158.800112.6R185 R281R185-E285 IonicContact CZ-OE1 2.75Å; R185-E285 VanDerWaalsContact CZ-OE1 3.24Å; R185-E285 IonicContact NH1-OE1 3.35Å; R185-E285 PolarHBondContact NH1-OE1 3.34Å; R185-E285 IonicContact NH1-OE2 2.77Å; R185-E285 IonicContact NH2-OE1 3.93Å; R185-E285 PolarHBondContact NH2-OE1 3.19Å; R185-E285 IonicContact NH2-OE2 2.85Å; R281-E285 HydrophobicContact CG-CB 4.34Å; R281-E285 WeakPolarHBondContact CG-OE2 3.29Å; R281-E285 IonicContact CZ-OE2 2.69Å; R281-E285 IonicContact NE-OE2 2.75Å; R281-E285 PolarHBondContact NE-OE2 3.44Å; R281-E285 IonicContact NH2-OE1 3.75Å; R281-E285 IonicContact NH2-OE2 2.76Å; R281-E285 PolarHBondContact NH2-OE2 3.1Å; R281-E285 WeakPolarHBondContact O-CB 3.41Å; R281-E285 PolarHBondContact O-N 3.22Å
286F91.2Very high90.9Very high9 Ų965 Ų654%0.03933%0.328CS..SBendtrans-1201-177.6-58.1-90.1000113.5L180 R185 L188 K189 S192 L282 I288L180-F286 HydrophobicContact CD1-CE2 3.57Å; L180-F286 HydrophobicContact CD1-CZ 3.95Å; R185-F286 HydrophobicContact CB-CE1 4.31Å; R185-F286 HydrophobicContact CB-CZ 4.31Å; R185-F286 HydrophobicContact CG-CZ 4.18Å; L188-F286 HydrophobicContact CB-CD1 3.75Å; L188-F286 HydrophobicContact CB-CE1 3.67Å; L188-F286 HydrophobicContact CB-CG 4.25Å; L188-F286 HydrophobicContact CB-CZ 4.09Å; L188-F286 HydrophobicContact CD1-CD2 4.5Å; L188-F286 HydrophobicContact CD1-CE1 4.32Å; L188-F286 HydrophobicContact CD1-CE2 3.98Å; L188-F286 HydrophobicContact CD1-CZ 3.87Å; K189-F286 HydrophobicContact CG-CD1 3.95Å; K189-F286 HydrophobicContact CG-CE1 4.12Å; S192-F286 WeakPolarHBondContact CB-O 3.44Å; S192-F286 PolarHBondContact OG-O 3.47Å; L282-F286 HydrophobicContact CD2-CD2 4.2Å; L282-F286 WeakPolarHBondContact O-CB 3.47Å; L282-F286 PolarHBondContact O-N 3.17Å; F286-I288 HydrophobicContact CB-CD1 3.81Å; F286-I288 HydrophobicContact CB-CG1 3.9Å; F286-I288 PolarHBondContact O-N 3.01Å; F286-I288 VanDerWaalsContact O-N 3.14Å
287E90.2Very high90.2Very high163 Ų16370.3 Ų70.376%0.76234%0.34SS*.  trans54.531.2178.5-58.6179.3119.200113L282 E283 T289L282-E287 PolarHBondContact O-N 3.05Å; E283-E287 VanDerWaalsContact O-CA 3.31Å; E283-E287 WeakPolarHBondContact O-CA 3.39Å; E283-E287 PolarHBondContact O-N 3.39Å; E287-T289 PolarHBondContact O-N 2.93Å
288I90.8Very high89.2Confident9 Ų973.6 Ų73.65%0.04635%0.353CS..  trans-81.9117.9178.8-59.9166.7000108.8F191 L237 T252 L282 E283 F286 F290F191-I288 HydrophobicContact CD1-CD1 3.96Å; F191-I288 HydrophobicContact CD1-CG1 4.42Å; F191-I288 HydrophobicContact CD1-CG2 4.38Å; F191-I288 HydrophobicContact CE1-CG2 4Å; L237-I288 HydrophobicContact CD1-CD1 4.41Å; T252-I288 HydrophobicContact CG2-CG2 4.26Å; L282-I288 HydrophobicContact CB-CD1 4.47Å; L282-I288 HydrophobicContact CD2-CD1 4.19Å; L282-I288 PolarHBondContact O-N 3.17Å; E283-I288 WeakPolarHBondContact CG-O 3.44Å; F286-I288 HydrophobicContact CB-CD1 3.81Å; F286-I288 HydrophobicContact CB-CG1 3.9Å; F286-I288 PolarHBondContact O-N 3.01Å; F286-I288 VanDerWaalsContact O-N 3.14Å; I288-F290 HydrophobicContact CB-CE2 4.32Å; I288-F290 HydrophobicContact CB-CZ 4.25Å; I288-F290 HydrophobicContact CG2-CD1 4.34Å; I288-F290 HydrophobicContact CG2-CD2 4.44Å; I288-F290 HydrophobicContact CG2-CE1 3.75Å; I288-F290 HydrophobicContact CG2-CE2 3.88Å; I288-F290 HydrophobicContact CG2-CZ 3.49Å; I288-F290 VanDerWaalsContact CG2-CZ 3.49Å
289T89.9Confident88Confident105 Ų10574 Ų7464%0.64436%0.355SS*.  trans-88.5131.2172.151.20000110.5T252 E287T252-T289 VanDerWaalsContact CB-O 3.24Å; T252-T289 WeakPolarHBondContact CB-O 3.5Å; E287-T289 PolarHBondContact O-N 2.93Å
290F91.7Very high86.5Confident24 Ų2480.5 Ų80.511%0.10538%0.383CS..  trans-109.4114.1177.4-65.9-72.3000110.8L237 T252 F254 L279 L282 E283 I288 R293L237-F290 HydrophobicContact CD2-CE1 3.78Å; L237-F290 HydrophobicContact CD2-CZ 3.79Å; T252-F290 HydrophobicContact CG2-CD1 3.73Å; T252-F290 HydrophobicContact CG2-CE1 3.92Å; F254-F290 HydrophobicContact CB-CD1 3.67Å; F254-F290 HydrophobicContact CB-CE1 3.91Å; F254-F290 HydrophobicContact CB-CG 4.11Å; F254-F290 HydrophobicContact CD2-CE1 4.28Å; F254-F290 HydrophobicContact CD2-CZ 4.24Å; L279-F290 HydrophobicContact CD2-CD2 3.86Å; L279-F290 HydrophobicContact CD2-CE2 3.89Å; L279-F290 HydrophobicContact CD2-CG 4.49Å; L282-F290 HydrophobicContact CB-CE2 3.92Å; L282-F290 HydrophobicContact CB-CZ 4.2Å; L282-F290 HydrophobicContact CD1-CE2 4.28Å; L282-F290 HydrophobicContact CD1-CZ 3.96Å; E283-F290 HydrophobicContact CG-CD2 4.08Å; E283-F290 HydrophobicContact CG-CE2 4.31Å; I288-F290 HydrophobicContact CB-CE2 4.32Å; I288-F290 HydrophobicContact CB-CZ 4.25Å; I288-F290 HydrophobicContact CG2-CD1 4.34Å; I288-F290 HydrophobicContact CG2-CD2 4.44Å; I288-F290 HydrophobicContact CG2-CE1 3.75Å; I288-F290 HydrophobicContact CG2-CE2 3.88Å; I288-F290 HydrophobicContact CG2-CZ 3.49Å; I288-F290 VanDerWaalsContact CG2-CZ 3.49Å; F290-R293 HydrophobicContact CB-CG 4.44Å
291D90.8Very high85Confident91 Ų9181.7 Ų81.749%0.48739%0.394SS..SBendtrans-71.4-36.6175.3-56.7-76000111.3A251 T252A251-D291 WeakPolarHBondContact CA-OD2 3.31Å; A251-D291 HydrophobicContact CB-CB 4.5Å; T252-D291 PolarHBondContact N-OD2 3.06Å; T252-D291 PolarHBondContact O-N 3.16Å
292H92Very high83.5Confident98 Ų9880.9 Ų80.945%0.45439%0.393SS..EExtended strand (participates in β ladder)trans-136.8135.9-176.1-64-69.2000112.2T252 F253 F254T252-H292 PolarHBondContact O-N 2.81Å; F253-H292 WeakPolarHBondContact CA-O 3.42Å; F253-H292 HydrophobicContact CD1-CB 3.44Å; F253-H292 VanDerWaalsContact CD1-CB 3.44Å; F253-H292 HydrophobicContact CE1-CB 3.47Å; F253-H292 VanDerWaalsContact CE1-CB 3.47Å; F253-H292 AromaticContact CE1-CD2 3.49Å; F253-H292 VanDerWaalsContact CE1-CD2 3.49Å; F253-H292 WeakPolarHBondContact CE1-CD2 3.04Å; F253-H292 AromaticContact CE1-CG 3.63Å; F253-H292 HydrophobicContact CG-CB 4.21Å; F253-H292 HydrophobicContact CZ-CB 4.27Å; F253-H292 AromaticContact CZ-CD2 3.44Å; F253-H292 VanDerWaalsContact CZ-CD2 3.44Å; F253-H292 WeakPolarHBondContact CZ-CD2 3.5Å; F254-H292 PolarHBondContact N-O 2.64Å
293R92.1Very high81.1Confident136 Ų13689.9 Ų89.951%0.51344%0.442SS..EExtended strand (participates in β ladder)trans-120.3105.9176.7-60.4174.9-177170.3-0.9109.2F254 E283 F290F254-R293 HydrophobicContact CB-CG 4.37Å; F254-R293 CarbonylContact O-C 3.54Å; F254-R293 WeakPolarHBondContact O-CA 3.5Å; E283-R293 IonicContact OE1-CZ 3.24Å; E283-R293 IonicContact OE1-NE 3.62Å; E283-R293 IonicContact OE1-NH2 2.62Å; E283-R293 PolarHBondContact OE1-NH2 2.74Å; E283-R293 IonicContact OE2-NH2 3.89Å; E283-R293 PolarHBondContact OE2-NH2 3.21Å; F290-R293 HydrophobicContact CB-CG 4.44Å
294V90.7Very high80.6Confident50 Ų5091.1 Ų91.130%0.30345%0.448SS..EExtended strand (participates in β ladder)trans-111.9136.9-173-169.80000110.1F253 F254 I255 H256 L296F253-V294 HydrophobicContact CD1-CG2 4.3Å; F254-V294 PolarHBondContact O-N 3.19Å; I255-V294 CarbonylContact C-O 3.56Å; I255-V294 WeakPolarHBondContact CA-O 3.5Å; H256-V294 PolarHBondContact N-O 3.25Å; V294-L296 HydrophobicContact CG1-CD1 4.37Å; V294-L296 HydrophobicContact CG1-CD2 3.73Å; V294-L296 HydrophobicContact CG1-CG 3.83Å
295S87.1Confident80Confident77 Ų7785 Ų8554%0.53843%0.431SS..EExtended strand (participates in β ladder)trans-115.7120.2172.7-59.20000109.3H256 K275H256-S295 CarbonylContact O-C 3.59Å; H256-S295 WeakPolarHBondContact O-CA 3.44Å; K275-S295 PolarHBondContact NZ-OG 3.14Å; K275-S295 VanDerWaalsContact NZ-OG 3.11Å
296L84.9Confident79.3Confident34 Ų3485.3 Ų85.318%0.17843%0.434CS..EExtended strand (participates in β ladder)trans-121.8140.6-175.4-60.5175.5000111.2I255 H256 T257 I258 V294 M302I255-L296 HydrophobicContact CG2-CD1 3.85Å; I255-L296 HydrophobicContact CG2-CG 4.33Å; H256-L296 PolarHBondContact O-N 2.75Å; T257-L296 WeakPolarHBondContact CA-O 3.26Å; T257-L296 HydrophobicContact CG2-CB 4.5Å; I258-L296 PolarHBondContact N-O 3.32Å; I258-L296 VanDerWaalsContact N-O 3.12Å; V294-L296 HydrophobicContact CG1-CD1 4.37Å; V294-L296 HydrophobicContact CG1-CD2 3.73Å; V294-L296 HydrophobicContact CG1-CG 3.83Å; L296-M302 HydrophobicContact CD1-CG 3.25Å; L296-M302 HydrophobicContact CD1-SD 3.44Å; L296-M302 WeakPolarHBondContact CD1-SD 3.15Å
297K76.7Confident78.6Confident171 Ų17189.8 Ų89.874%0.74346%0.457SS*.SBendtrans-82.8-34.9172.3-67.3-178.1-178.7175.90112.3I258I258-K297 WeakPolarHBondContact O-CA 3.48Å
298L68.9Low77.9Confident95 Ų9585.2 Ų85.250%0.49744%0.438SS..  trans-141.8123.3-177.9-81.6151.4000108.3K300 S301L298-K300 PolarHBondContact O-N 3.19Å; L298-S301 WeakPolarHBondContact O-CB 3.19Å; L298-S301 PolarHBondContact O-N 3.36Å; L298-S301 PolarHBondContact O-OG 3.43Å
299M67.1Low77Confident12 Ų1290.3 Ų90.36%0.05946%0.464CS..G310 helixtrans-62.9-22177.4-93.7-99.2-169.200113.8I224 A225 C228 H236 I255 T257 S301 M302I224-M299 HydrophobicContact CB-SD 4.44Å; I224-M299 HydrophobicContact CG2-CE 3.32Å; I224-M299 HydrophobicContact CG2-SD 3.68Å; A225-M299 HydrophobicContact CB-CB 3.96Å; A225-M299 HydrophobicContact CB-SD 4.43Å; C228-M299 HydrophobicContact CB-CB 4.13Å; C228-M299 HydrophobicContact CB-CE 4.15Å; C228-M299 HydrophobicContact CB-CG 3.61Å; C228-M299 HydrophobicContact CB-SD 4.22Å; H236-M299 VanDerWaalsContact CD2-CE 3.45Å; H236-M299 WeakPolarHBondContact CD2-CE 3.39Å; H236-M299 VanDerWaalsContact CE1-CE 3.46Å; H236-M299 WeakPolarHBondContact CE1-CE 3.4Å; H236-M299 VanDerWaalsContact NE2-CE 3.29Å; H236-M299 WeakPolarHBondContact NE2-CE 3.42Å; I255-M299 HydrophobicContact CG2-CE 4.22Å; T257-M299 HydrophobicContact CG2-CE 3.6Å; T257-M299 HydrophobicContact CG2-CG 3.64Å; T257-M299 HydrophobicContact CG2-SD 4.41Å; M299-S301 PolarHBondContact O-N 3.17Å; M299-M302 HydrophobicContact CE-SD 4.08Å; M299-M302 WeakPolarHBondContact O-CB 3.4Å; M299-M302 PolarHBondContact O-N 2.98Å; M299-M302 HydrophobicContact SD-CE 4.5Å; M299-M302 HydrophobicContact SD-CG 4.46Å; M299-M302 HydrophobicContact SD-SD 3.32Å
300K62.1Low76.1Confident145 Ų14589.2 Ų89.263%0.6345%0.451SS*.G310 helixtrans-59.4-10.3173.5-68.2179.1-179161.10113.6E230 L298E230-K300 IonicContact OE1-NZ 2.76Å; E230-K300 PolarHBondContact OE1-NZ 2.82Å; L298-K300 PolarHBondContact O-N 3.19Å
301S59.5Low74.9Confident83 Ų8394.2 Ų94.258%0.5848%0.478SS*.G310 helixtrans-86.3-1.9175.9-33.10000113.7L298 M299 N303L298-S301 WeakPolarHBondContact O-CB 3.19Å; L298-S301 PolarHBondContact O-N 3.36Å; L298-S301 PolarHBondContact O-OG 3.43Å; M299-S301 PolarHBondContact O-N 3.17Å; S301-N303 VanDerWaalsContact C-N 3.31Å; S301-N303 PolarHBondContact O-N 2.99Å
302M57.4Low73.5Confident43 Ų4394.5 Ų94.521%0.21248%0.477CS..  trans-86.325.6-176.4-77.1-173.452.800115.4P221 I255 L296 M299P221-M302 HydrophobicContact CB-CE 4.32Å; I255-M302 HydrophobicContact CD1-CE 3.63Å; I255-M302 HydrophobicContact CD1-SD 3.97Å; I255-M302 HydrophobicContact CG2-SD 4.35Å; L296-M302 HydrophobicContact CD1-CG 3.25Å; L296-M302 HydrophobicContact CD1-SD 3.44Å; L296-M302 WeakPolarHBondContact CD1-SD 3.15Å; M299-M302 HydrophobicContact CE-SD 4.08Å; M299-M302 WeakPolarHBondContact O-CB 3.4Å; M299-M302 PolarHBondContact O-N 2.98Å; M299-M302 HydrophobicContact SD-CE 4.5Å; M299-M302 HydrophobicContact SD-CG 4.46Å; M299-M302 HydrophobicContact SD-SD 3.32Å
303N44.1Very low71.9Confident190 Ų19094.2 Ų94.2100%1.01648%0.479SS*.  trans-80.90174.6-77.1-31000112S301S301-N303 VanDerWaalsContact C-N 3.31Å; S301-N303 PolarHBondContact O-N 2.99Å

Retrieved 303 of 303 residues in 193.3 ms (Link to these results)

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