A0A077YYW9_TRITR Loading...

Kin17 mid domain containing protein

AlphaFold DB , UniProt , Accession A0A077YYW9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 394 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
1M51.8Low75.7Confident229 Ų229120.7 Ų120.7100%1.12862%0.618SS**  0117.70-73.5-72.2175.600108K3M1-K3 PolarHBondContact O-N 3.3Å
2P58.3Low76.5Confident117 Ų117116.6 Ų116.676%0.7660%0.597SS**PPolyproline II helixtrans-56.2129.7175.4-19.830.9000109.7H4P2-H4 PolarHBondContact O-N 3.36Å
3K66.5Low77.1Confident208 Ų208110.5 Ų110.590%0.90457%0.574SS**PPolyproline II helixtrans-65.3125.7172.2-70.1177.4-178.3172.50107M1M1-K3 PolarHBondContact O-N 3.3Å
4H74.4Confident77.4Confident82 Ų82108.1 Ų108.138%0.3856%0.563SS.*PPolyproline II helixtrans-63.6136.9176.4-65.7-60.1000109.9P2 K10 A11P2-H4 PolarHBondContact O-N 3.36Å; H4-K10 VanDerWaalsContact CE1-CD 3.47Å; H4-K10 WeakPolarHBondContact CE1-CD 3.29Å; H4-K10 VanDerWaalsContact NE2-CD 3.28Å; H4-K10 WeakPolarHBondContact NE2-CD 3.39Å; H4-K10 WeakPolarHBondContact NE2-CE 3.38Å; H4-K10 PolarHBondContact NE2-NZ 3.17Å; H4-A11 HydrophobicContact CB-CB 4.1Å
5E79.6Confident77.6Confident147 Ų147109.3 Ų109.369%0.68756%0.557SS**PPolyproline II helixtrans-55.5140.7176.2-76.4-168.9151.300110.8F7 T8 A11E5-F7 PolarHBondContact O-N 3.3Å; E5-T8 HydrophobicContact CB-CG2 3.95Å; E5-T8 WeakPolarHBondContact O-CG2 3.16Å; E5-T8 PolarHBondContact O-N 2.52Å; E5-T8 PolarHBondContact O-OG1 3.45Å; E5-A11 WeakPolarHBondContact O-CB 3.25Å
6P78Confident77.9Confident89 Ų89109.1 Ų109.158%0.57856%0.556SS**THydrogen-bonded Turntrans-54.6137.1173.725.5-32.4000108.5
7F81.2Confident77.8Confident164 Ų164109.7 Ų109.772%0.71955%0.554SS**THydrogen-bonded Turntrans82.2-3.7-177.1-50.3-78000118E5E5-F7 PolarHBondContact O-N 3.3Å
8T87.3Confident77.6Confident41 Ų41105.3 Ų105.325%0.25254%0.537SS..  trans-64.2146.6168.556.60000111.4E5 K10 A11 I12E5-T8 HydrophobicContact CB-CG2 3.95Å; E5-T8 WeakPolarHBondContact O-CG2 3.16Å; E5-T8 PolarHBondContact O-N 2.52Å; E5-T8 PolarHBondContact O-OG1 3.45Å; T8-K10 PolarHBondContact O-N 3.18Å; T8-A11 WeakPolarHBondContact O-CA 3.35Å; T8-A11 WeakPolarHBondContact O-CB 3.33Å; T8-A11 PolarHBondContact O-N 3.24Å; T8-A11 WeakPolarHBondContact OG1-CB 3.23Å; T8-A11 PolarHBondContact OG1-N 3.08Å; T8-I12 WeakPolarHBondContact O-CG1 3.13Å; T8-I12 PolarHBondContact O-N 3.42Å
9P88.4Confident77.2Confident112 Ų112107.9 Ų107.973%0.72755%0.545SS*.Hα-helixtrans-52.5-34.7177.1-28.534.7000112.9I12 A13P9-I12 PolarHBondContact O-N 3.11Å; P9-A13 VanDerWaalsContact O-CB 3.28Å; P9-A13 WeakPolarHBondContact O-CB 3.32Å; P9-A13 PolarHBondContact O-N 2.68Å
10K83.6Confident76.9Confident124 Ų124105.3 Ų105.354%0.53955%0.545SS..Hα-helixtrans-71.8-39.3176.4-165.7163.7174-172.20112.8H4 T8 N14H4-K10 VanDerWaalsContact CE1-CD 3.47Å; H4-K10 WeakPolarHBondContact CE1-CD 3.29Å; H4-K10 VanDerWaalsContact NE2-CD 3.28Å; H4-K10 WeakPolarHBondContact NE2-CD 3.39Å; H4-K10 WeakPolarHBondContact NE2-CE 3.38Å; H4-K10 PolarHBondContact NE2-NZ 3.17Å; T8-K10 PolarHBondContact O-N 3.18Å; K10-N14 WeakPolarHBondContact O-CB 3.19Å; K10-N14 PolarHBondContact O-N 3.22Å; K10-N14 PolarHBondContact O-ND2 3.07Å
11A83.7Confident76.7Confident15 Ų15104.7 Ų104.712%0.12454%0.543CS..Hα-helixtrans-64.6-40.3172.200000111.8H4 E5 T8 N14 R15H4-A11 HydrophobicContact CB-CB 4.1Å; E5-A11 WeakPolarHBondContact O-CB 3.25Å; T8-A11 WeakPolarHBondContact O-CA 3.35Å; T8-A11 WeakPolarHBondContact O-CB 3.33Å; T8-A11 PolarHBondContact O-N 3.24Å; T8-A11 WeakPolarHBondContact OG1-CB 3.23Å; T8-A11 PolarHBondContact OG1-N 3.08Å; A11-N14 PolarHBondContact O-N 2.86Å; A11-R15 WeakPolarHBondContact O-CB 3.41Å; A11-R15 PolarHBondContact O-N 3.22Å
12I85.9Confident77.9Confident71 Ų7195.1 Ų95.136%0.36450%0.495SS..Hα-helixtrans-64.9-48.7175.6-63.7169.3000110.3T8 P9 N14 R15 I16T8-I12 WeakPolarHBondContact O-CG1 3.13Å; T8-I12 PolarHBondContact O-N 3.42Å; P9-I12 PolarHBondContact O-N 3.11Å; I12-N14 VanDerWaalsContact C-N 3.29Å; I12-N14 PolarHBondContact O-N 2.81Å; I12-R15 CarbonylContact O-C 3.59Å; I12-R15 WeakPolarHBondContact O-CB 3.35Å; I12-R15 PolarHBondContact O-N 2.74Å; I12-R15 VanDerWaalsContact O-N 3.08Å; I12-I16 HydrophobicContact CG2-CD1 3.69Å; I12-I16 HydrophobicContact CG2-CG1 4.26Å; I12-I16 VanDerWaalsContact O-CG1 3.3Å; I12-I16 WeakPolarHBondContact O-CG1 3.36Å; I12-I16 PolarHBondContact O-N 3.31Å
13A84.4Confident78.9Confident37 Ų3796 Ų9631%0.30649%0.487SS..Hα-helixtrans-58.3-41.1176.600000111.9P9 I16 K17P9-A13 VanDerWaalsContact O-CB 3.28Å; P9-A13 WeakPolarHBondContact O-CB 3.32Å; P9-A13 PolarHBondContact O-N 2.68Å; A13-I16 PolarHBondContact O-N 3.09Å; A13-K17 WeakPolarHBondContact O-CB 3.42Å; A13-K17 WeakPolarHBondContact O-CG 3.43Å; A13-K17 PolarHBondContact O-N 2.83Å
14N80.7Confident79.5Confident77 Ų7788.6 Ų88.641%0.41246%0.457SS..Hα-helixtrans-65.6-40.6174.9-73.9-17.3000112K10 A11 I12 K17 A18K10-N14 WeakPolarHBondContact O-CB 3.19Å; K10-N14 PolarHBondContact O-N 3.22Å; K10-N14 PolarHBondContact O-ND2 3.07Å; A11-N14 PolarHBondContact O-N 2.86Å; I12-N14 VanDerWaalsContact C-N 3.29Å; I12-N14 PolarHBondContact O-N 2.81Å; N14-K17 PolarHBondContact O-N 2.9Å; N14-A18 VanDerWaalsContact O-CB 3.25Å; N14-A18 WeakPolarHBondContact O-CB 3.42Å; N14-A18 PolarHBondContact O-N 2.97Å
15R80.9Confident79.9Confident127 Ų12792 Ų9248%0.47947%0.467SS..Hα-helixtrans-65-43.2176.1-167-179.1-67.9147.3-4.2111.2A11 I12 A18 K19A11-R15 WeakPolarHBondContact O-CB 3.41Å; A11-R15 PolarHBondContact O-N 3.22Å; I12-R15 CarbonylContact O-C 3.59Å; I12-R15 WeakPolarHBondContact O-CB 3.35Å; I12-R15 PolarHBondContact O-N 2.74Å; I12-R15 VanDerWaalsContact O-N 3.08Å; R15-A18 CarbonylContact O-C 3.45Å; R15-A18 PolarHBondContact O-N 3.01Å; R15-A18 VanDerWaalsContact O-N 3.15Å; R15-K19 WeakPolarHBondContact O-CG 3.43Å; R15-K19 PolarHBondContact O-N 3.4Å
16I81.8Confident80.2Confident106 Ų10686.7 Ų86.754%0.54444%0.44SS..Hα-helixtrans-61.8-45.6174.9-66.6168.5000110.2I12 A13 A18 K19I12-I16 HydrophobicContact CG2-CD1 3.69Å; I12-I16 HydrophobicContact CG2-CG1 4.26Å; I12-I16 VanDerWaalsContact O-CG1 3.3Å; I12-I16 WeakPolarHBondContact O-CG1 3.36Å; I12-I16 PolarHBondContact O-N 3.31Å; A13-I16 PolarHBondContact O-N 3.09Å; I16-A18 PolarHBondContact O-N 3.21Å; I16-K19 WeakPolarHBondContact O-CB 3.42Å; I16-K19 PolarHBondContact O-N 2.84Å; I16-K19 VanDerWaalsContact O-N 3.1Å
17K76.4Confident80.7Confident119 Ų11983.8 Ų83.852%0.51742%0.418SS..Hα-helixtrans-64.9-23.8175.7-72.7172.4-174.6-178.30113.4A13 N14 Q22 R36A13-K17 WeakPolarHBondContact O-CB 3.42Å; A13-K17 WeakPolarHBondContact O-CG 3.43Å; A13-K17 PolarHBondContact O-N 2.83Å; N14-K17 PolarHBondContact O-N 2.9Å; K17-Q22 PolarHBondContact O-NE2 2.78Å; K17-R36 PolarHBondContact O-NE 3.39Å
18A73.8Confident81.1Confident30 Ų3076.4 Ų76.425%0.24839%0.386CS..Hα-helixtrans-89.4-12.8176.100000113.2N14 R15 I16N14-A18 VanDerWaalsContact O-CB 3.25Å; N14-A18 WeakPolarHBondContact O-CB 3.42Å; N14-A18 PolarHBondContact O-N 2.97Å; R15-A18 CarbonylContact O-C 3.45Å; R15-A18 PolarHBondContact O-N 3.01Å; R15-A18 VanDerWaalsContact O-N 3.15Å; I16-A18 PolarHBondContact O-N 3.21Å
19K71Confident81.1Confident156 Ų15675.1 Ų75.168%0.67838%0.377SS*.SBendtrans-75.2126.1171.3-75.1178.9178.5-169.60108.5R15 I16R15-K19 WeakPolarHBondContact O-CG 3.43Å; R15-K19 PolarHBondContact O-N 3.4Å; I16-K19 WeakPolarHBondContact O-CB 3.42Å; I16-K19 PolarHBondContact O-N 2.84Å; I16-K19 VanDerWaalsContact O-N 3.1Å
20G69.4Low81.1Confident54 Ų5471.8 Ų71.856%0.55735%0.353SS*.SBendtrans109.4151.6-178.400000113.3Q22G20-Q22 PolarHBondContact O-N 3.22Å; G20-Q22 VanDerWaalsContact O-N 3.17Å
21L73.1Confident81.3Confident94 Ų9467.6 Ų67.649%0.49234%0.339SS..  trans-72.7107.8178.6-159.168.6000108.9I99L21-I99 HydrophobicContact CD2-CG2 3.92Å
22Q77.1Confident81.5Confident27 Ų2772.8 Ų72.813%0.12636%0.36CS..  trans-75.6167.7177-66.4178.54.300110.4K17 G20 L24 Q34 C35K17-Q22 PolarHBondContact O-NE2 2.78Å; G20-Q22 PolarHBondContact O-N 3.22Å; G20-Q22 VanDerWaalsContact O-N 3.17Å; Q22-L24 PolarHBondContact O-N 3.27Å; Q22-L24 VanDerWaalsContact O-N 3.15Å; Q22-Q34 HydrophobicContact CB-CG 4.07Å; Q22-C35 PolarHBondContact OE1-O 3.44Å
23K79.3Confident81.5Confident137 Ų13774.1 Ų74.160%0.59636%0.364SS*.  trans-60.1121.8178.6-65.1-173.2177.5-176.20110R25 W26 Q34K23-R25 HydrophobicContact CB-CG 4.09Å; K23-R25 PolarHBondContact O-N 3.44Å; K23-R25 VanDerWaalsContact O-N 3.15Å; K23-W26 PolarHBondContact O-N 2.91Å; K23-Q34 PolarHBondContact O-NE2 2.86Å
24L79Confident81.6Confident52 Ų5273.5 Ų73.527%0.27235%0.354SS..G310 helixtrans-61.3-24.3-177.7-63.8172.8000113.7Q22 W26 Y27 I99Q22-L24 PolarHBondContact O-N 3.27Å; Q22-L24 VanDerWaalsContact O-N 3.15Å; L24-W26 PolarHBondContact O-N 2.87Å; L24-Y27 WeakPolarHBondContact O-CB 3.4Å; L24-Y27 PolarHBondContact O-N 3.07Å; L24-I99 HydrophobicContact CD1-CG2 4.26Å
25R83.6Confident81.9Confident154 Ų15470.2 Ų70.258%0.58134%0.337SS*.G310 helixtrans-56.7-20.7176.172.3179.7-177.5-179.86.7114.3K23K23-R25 HydrophobicContact CB-CG 4.09Å; K23-R25 PolarHBondContact O-N 3.44Å; K23-R25 VanDerWaalsContact O-N 3.15Å
26W86.9Confident82Confident34 Ų3471.1 Ų71.113%0.12934%0.341CS..G310 helixtrans-106.621179.6-53.1138.2000112.9K23 L24 C35 Q38 F41K23-W26 PolarHBondContact O-N 2.91Å; L24-W26 PolarHBondContact O-N 2.87Å; W26-C35 HydrophobicContact CB-CB 4.16Å; W26-C35 WeakPolarHBondContact CB-O 3.38Å; W26-C35 WeakPolarHBondContact O-CA 3.35Å; W26-C35 WeakPolarHBondContact O-CB 3.15Å; W26-C35 PolarHBondContact O-N 2.91Å; W26-Q38 HydrophobicContact CH2-CB 3.58Å; W26-Q38 HydrophobicContact CH2-CG 3.39Å; W26-Q38 HydrophobicContact CZ2-CB 3.37Å; W26-Q38 HydrophobicContact CZ2-CG 3.76Å; W26-Q38 HydrophobicContact CZ3-CB 4.23Å; W26-Q38 HydrophobicContact CZ3-CG 3.96Å; W26-F41 HydrophobicContact CB-CB 4.26Å; W26-F41 HydrophobicContact CB-CD2 4.48Å; W26-F41 HydrophobicContact CB-CG 4.49Å; W26-F41 HydrophobicContact CD2-CB 4.22Å; W26-F41 HydrophobicContact CE3-CB 3.68Å; W26-F41 AromaticContact CE3-CD1 3.64Å; W26-F41 HydrophobicContact CE3-CD1 3.64Å; W26-F41 HydrophobicContact CE3-CE1 4.42Å; W26-F41 AromaticContact CE3-CG 3.74Å; W26-F41 HydrophobicContact CE3-CG 3.74Å; W26-F41 HydrophobicContact CZ3-CB 4.45Å; W26-F41 AromaticContact CZ3-CD1 3.99Å; W26-F41 HydrophobicContact CZ3-CD1 3.99Å; W26-F41 HydrophobicContact CZ3-CG 4.49Å
27Y87.5Confident82.3Confident28 Ų2869.5 Ų69.511%0.1133%0.333CS..EExtended strand (participates in β ladder)trans-96.5132.9174.3-171.6-101.1000110.7L24 Q32 Q34L24-Y27 WeakPolarHBondContact O-CB 3.4Å; L24-Y27 PolarHBondContact O-N 3.07Å; Y27-Q32 WeakPolarHBondContact OH-CA 3.43Å; Y27-Q34 HydrophobicContact CD2-CB 3.79Å; Y27-Q34 VanDerWaalsContact CD2-OE1 3.31Å; Y27-Q34 HydrophobicContact CE2-CB 4.22Å
28C89.1Confident82.9Confident9 Ų968.8 Ų68.86%0.06133%0.331CS..EExtended strand (participates in β ladder)trans-101.5116.3169.9-1790000109.8C31 Q32 K33 F41 H44 H50C28-C31 HydrophobicContact CB-CB 4.26Å; C28-Q32 VanDerWaalsContact O-CA 3.31Å; C28-Q32 WeakPolarHBondContact O-CA 3.31Å; C28-Q32 PolarHBondContact O-N 3.03Å; C28-K33 PolarHBondContact N-O 2.96Å; C28-K33 PolarHBondContact O-N 2.9Å; C28-F41 HydrophobicContact CB-CE2 4.19Å; C28-H44 WeakPolarHBondContact CB-NE2 3.2Å; C28-H44 PolarHBondContact SG-NE2 2.83Å; C28-H44 VanDerWaalsContact SG-NE2 3.38Å; C28-H50 VanDerWaalsContact SG-CE1 3.59Å; C28-H50 PolarHBondContact SG-ND1 3.29Å
29Q88.5Confident83.7Confident14 Ų1472.3 Ų72.37%0.06535%0.346CS..THydrogen-bonded Turntrans-67-45.5178-170.367.732.300112C31 Q32 F68 S109Q29-C31 PolarHBondContact O-N 3.11Å; Q29-Q32 PolarHBondContact O-N 2.99Å; Q29-Q32 VanDerWaalsContact O-N 3.09Å; Q29-F68 HydrophobicContact CG-CD1 4.2Å; Q29-F68 HydrophobicContact CG-CD2 4.48Å; Q29-F68 HydrophobicContact CG-CE1 3.96Å; Q29-F68 HydrophobicContact CG-CE2 4.3Å; Q29-F68 HydrophobicContact CG-CG 4.47Å; Q29-F68 HydrophobicContact CG-CZ 4.03Å; Q29-S109 WeakPolarHBondContact CB-OG 3.2Å; Q29-S109 WeakPolarHBondContact CG-OG 3.44Å
30M87.2Confident84.6Confident43 Ų4366.1 Ų66.121%0.21233%0.327CS..THydrogen-bonded Turntrans-59.7-35.3-177.5-59.3-53.2107.900112.5Q53 F57 F68M30-Q53 HydrophobicContact CB-CB 4.29Å; M30-F57 HydrophobicContact CE-CD2 4.42Å; M30-F57 HydrophobicContact CE-CE2 4.48Å; M30-F57 HydrophobicContact SD-CB 4.23Å; M30-F57 HydrophobicContact SD-CD2 3.56Å; M30-F57 VanDerWaalsContact SD-CD2 3.56Å; M30-F57 HydrophobicContact SD-CE2 4.18Å; M30-F57 HydrophobicContact SD-CG 4Å; M30-F68 HydrophobicContact CE-CD2 4.07Å; M30-F68 HydrophobicContact CE-CE2 3.16Å; M30-F68 HydrophobicContact CE-CZ 3.64Å; M30-F68 HydrophobicContact SD-CE2 3.86Å; M30-F68 HydrophobicContact SD-CZ 4.1Å
31C88.1Confident85.6Confident35 Ų3565.3 Ų65.324%0.23631%0.308CS..THydrogen-bonded Turntrans-100.50.4-179.5-61.70000113.3C28 Q29 K33 H44C28-C31 HydrophobicContact CB-CB 4.26Å; Q29-C31 PolarHBondContact O-N 3.11Å; C31-K33 HydrophobicContact CB-CB 4.12Å; C31-K33 PolarHBondContact O-N 3.41Å; C31-K33 VanDerWaalsContact O-N 3.14Å; C31-H44 VanDerWaalsContact CB-CE1 3.43Å; C31-H44 WeakPolarHBondContact CB-CE1 3.38Å; C31-H44 PolarHBondContact SG-CE1 2.88Å
32Q87.2Confident86.5Confident125 Ų12566.5 Ų66.558%0.58431%0.309SS*.THydrogen-bonded Turntrans45.542-172.5-60.3179.7-9.700112.8Y27 C28 Q29Y27-Q32 WeakPolarHBondContact OH-CA 3.43Å; C28-Q32 VanDerWaalsContact O-CA 3.31Å; C28-Q32 WeakPolarHBondContact O-CA 3.31Å; C28-Q32 PolarHBondContact O-N 3.03Å; Q29-Q32 PolarHBondContact O-N 2.99Å; Q29-Q32 VanDerWaalsContact O-N 3.09Å
33K86.2Confident87.3Confident99 Ų9968.6 Ų68.643%0.4333%0.326SS..EExtended strand (participates in β ladder)trans-119.9113.9-169.2-170.3-179.7179.7-174.10111.6C28 C31 C35C28-K33 PolarHBondContact N-O 2.96Å; C28-K33 PolarHBondContact O-N 2.9Å; C31-K33 HydrophobicContact CB-CB 4.12Å; C31-K33 PolarHBondContact O-N 3.41Å; C31-K33 VanDerWaalsContact O-N 3.14Å; K33-C35 PolarHBondContact O-N 2.89Å
34Q86.1Confident87.9Confident23 Ų2362.2 Ų62.211%0.10730%0.298CS..EExtended strand (participates in β ladder)trans-78.4114.8168.2-176.16555.700110.5Q22 K23 Y27Q22-Q34 HydrophobicContact CB-CG 4.07Å; K23-Q34 PolarHBondContact O-NE2 2.86Å; Y27-Q34 HydrophobicContact CD2-CB 3.79Å; Y27-Q34 VanDerWaalsContact CD2-OE1 3.31Å; Y27-Q34 HydrophobicContact CE2-CB 4.22Å
35C87.4Confident88.5Confident8 Ų863.1 Ų63.15%0.05430%0.303CS..  trans-90148169.6-58.10000110.4Q22 W26 K33 F41Q22-C35 PolarHBondContact OE1-O 3.44Å; W26-C35 HydrophobicContact CB-CB 4.16Å; W26-C35 WeakPolarHBondContact CB-O 3.38Å; W26-C35 WeakPolarHBondContact O-CA 3.35Å; W26-C35 WeakPolarHBondContact O-CB 3.15Å; W26-C35 PolarHBondContact O-N 2.91Å; K33-C35 PolarHBondContact O-N 2.89Å; C35-F41 HydrophobicContact CB-CB 3.96Å; C35-F41 HydrophobicContact CB-CD2 4.19Å
36R83.2Confident88.8Confident146 Ų14660.6 Ų60.655%0.55131%0.305SS*.SBendtrans-75.4-37.6-172.9-173.363.9169.993.9-5.5112.8K17K17-R36 PolarHBondContact O-NE 3.39Å
37D88.4Confident89Confident72 Ų7260.4 Ų60.439%0.38531%0.309SS..SBendtrans-150.3174.5-16765.9-26.7000110.8N39 G40 F41D37-N39 VanDerWaalsContact C-N 3.29Å; D37-N39 PolarHBondContact O-N 2.82Å; D37-G40 PolarHBondContact O-N 2.85Å; D37-G40 WeakPolarHBondContact OD1-CA 3.44Å; D37-G40 PolarHBondContact OD1-N 3.02Å; D37-F41 PolarHBondContact O-N 2.84Å
38Q89.8Confident89.2Confident104 Ų10464.7 Ų64.749%0.48633%0.33SS..Hα-helixtrans-61.5-39.6-179.8-173.8168.412.100111.9W26 F41 K42W26-Q38 HydrophobicContact CH2-CB 3.58Å; W26-Q38 HydrophobicContact CH2-CG 3.39Å; W26-Q38 HydrophobicContact CZ2-CB 3.37Å; W26-Q38 HydrophobicContact CZ2-CG 3.76Å; W26-Q38 HydrophobicContact CZ3-CB 4.23Å; W26-Q38 HydrophobicContact CZ3-CG 3.96Å; Q38-F41 PolarHBondContact O-N 2.82Å; Q38-K42 WeakPolarHBondContact O-CG 3.31Å; Q38-K42 PolarHBondContact O-N 3.05Å
39N90Very high89.2Confident105 Ų10567.7 Ų67.756%0.56135%0.351SS*.Hα-helixtrans-68.6-44.7-178.4-168.554.2000111.2D37 F41 K42 C43D37-N39 VanDerWaalsContact C-N 3.29Å; D37-N39 PolarHBondContact O-N 2.82Å; N39-F41 VanDerWaalsContact C-N 3.26Å; N39-F41 PolarHBondContact O-N 3.4Å; N39-K42 PolarHBondContact O-N 3.29Å; N39-C43 PolarHBondContact O-N 2.89Å; N39-C43 PolarHBondContact O-SG 3.36Å; N39-C43 VanDerWaalsContact O-SG 3.41Å
40G90Very high89.4Confident26 Ų2668 Ų6827%0.26835%0.352SS..Hα-helixtrans-59.8-36.7173.800000112.9D37 H44D37-G40 PolarHBondContact O-N 2.85Å; D37-G40 WeakPolarHBondContact OD1-CA 3.44Å; D37-G40 PolarHBondContact OD1-N 3.02Å; G40-H44 WeakPolarHBondContact O-CB 3.41Å; G40-H44 PolarHBondContact O-N 2.95Å
41F90.7Very high89.5Confident37 Ų3770.7 Ų70.716%0.16236%0.364CS..Hα-helixtrans-68.5-44.2174.8-168.6-111.7000112.1W26 C28 C35 D37 Q38 N39 C43 H44 L45W26-F41 HydrophobicContact CB-CB 4.26Å; W26-F41 HydrophobicContact CB-CD2 4.48Å; W26-F41 HydrophobicContact CB-CG 4.49Å; W26-F41 HydrophobicContact CD2-CB 4.22Å; W26-F41 HydrophobicContact CE3-CB 3.68Å; W26-F41 AromaticContact CE3-CD1 3.64Å; W26-F41 HydrophobicContact CE3-CD1 3.64Å; W26-F41 HydrophobicContact CE3-CE1 4.42Å; W26-F41 AromaticContact CE3-CG 3.74Å; W26-F41 HydrophobicContact CE3-CG 3.74Å; W26-F41 HydrophobicContact CZ3-CB 4.45Å; W26-F41 AromaticContact CZ3-CD1 3.99Å; W26-F41 HydrophobicContact CZ3-CD1 3.99Å; W26-F41 HydrophobicContact CZ3-CG 4.49Å; C28-F41 HydrophobicContact CB-CE2 4.19Å; C35-F41 HydrophobicContact CB-CB 3.96Å; C35-F41 HydrophobicContact CB-CD2 4.19Å; D37-F41 PolarHBondContact O-N 2.84Å; Q38-F41 PolarHBondContact O-N 2.82Å; N39-F41 VanDerWaalsContact C-N 3.26Å; N39-F41 PolarHBondContact O-N 3.4Å; F41-C43 PolarHBondContact O-N 3.17Å; F41-H44 WeakPolarHBondContact O-CA 3.49Å; F41-H44 WeakPolarHBondContact O-CB 3.13Å; F41-H44 PolarHBondContact O-N 2.86Å; F41-H44 VanDerWaalsContact O-N 3.09Å; F41-L45 HydrophobicContact CD1-CD1 3.96Å; F41-L45 HydrophobicContact CD1-CG 4.26Å; F41-L45 HydrophobicContact CE1-CD1 3.68Å; F41-L45 HydrophobicContact CE1-CD2 4.15Å; F41-L45 HydrophobicContact CE1-CG 4.05Å; F41-L45 HydrophobicContact CE2-CD2 4.43Å; F41-L45 HydrophobicContact CZ-CD1 4.34Å; F41-L45 HydrophobicContact CZ-CD2 3.96Å; F41-L45 HydrophobicContact CZ-CG 4.31Å; F41-L45 WeakPolarHBondContact O-CG 3.33Å; F41-L45 PolarHBondContact O-N 2.87Å
42K92.2Very high89.7Confident119 Ų11976 Ų7652%0.51738%0.379SS..Hα-helixtrans-57.6-49.1174.5-75.2-179178.1-174.80112.1Q38 N39 H44 L45 T46Q38-K42 WeakPolarHBondContact O-CG 3.31Å; Q38-K42 PolarHBondContact O-N 3.05Å; N39-K42 PolarHBondContact O-N 3.29Å; K42-H44 PolarHBondContact O-N 3.1Å; K42-L45 PolarHBondContact O-N 3.3Å; K42-L45 VanDerWaalsContact O-N 3.14Å; K42-T46 PolarHBondContact O-N 3.02Å; K42-T46 VanDerWaalsContact O-N 3.14Å; K42-T46 PolarHBondContact O-OG1 3.4Å
43C92Very high89.7Confident70 Ų7073.5 Ų73.547%0.47337%0.368SS..Hα-helixtrans-63.3-28.8176.5-65.60000112.8N39 F41 T46 S47N39-C43 PolarHBondContact O-N 2.89Å; N39-C43 PolarHBondContact O-SG 3.36Å; N39-C43 VanDerWaalsContact O-SG 3.41Å; F41-C43 PolarHBondContact O-N 3.17Å; C43-T46 PolarHBondContact O-OG1 3.12Å; C43-S47 PolarHBondContact O-N 3.18Å
44H92.2Very high89.8Confident3 Ų372.5 Ų72.51%0.01437%0.367CS..Hα-helixtrans-71.2-43173.2173.945.5000111.8C28 C31 G40 F41 K42 T46 S47 H50C28-H44 WeakPolarHBondContact CB-NE2 3.2Å; C28-H44 PolarHBondContact SG-NE2 2.83Å; C28-H44 VanDerWaalsContact SG-NE2 3.38Å; C31-H44 VanDerWaalsContact CB-CE1 3.43Å; C31-H44 WeakPolarHBondContact CB-CE1 3.38Å; C31-H44 PolarHBondContact SG-CE1 2.88Å; G40-H44 WeakPolarHBondContact O-CB 3.41Å; G40-H44 PolarHBondContact O-N 2.95Å; F41-H44 WeakPolarHBondContact O-CA 3.49Å; F41-H44 WeakPolarHBondContact O-CB 3.13Å; F41-H44 PolarHBondContact O-N 2.86Å; F41-H44 VanDerWaalsContact O-N 3.09Å; K42-H44 PolarHBondContact O-N 3.1Å; H44-T46 PolarHBondContact O-N 2.72Å; H44-S47 WeakPolarHBondContact O-CB 3.37Å; H44-S47 PolarHBondContact O-N 3Å; H44-S47 PolarHBondContact O-OG 2.88Å; H44-H50 AromaticContact CE1-ND1 3.86Å; H44-H50 AromaticContact NE2-ND1 3.63Å; H44-H50 WeakPolarHBondContact O-CB 3.1Å
45L91.3Very high89.8Confident71 Ų7173.5 Ų73.537%0.37237%0.373SS..Hα-helixtrans-62.4-32.9177.5-65179.1000112.5F41 K42 S47 H50F41-L45 HydrophobicContact CD1-CD1 3.96Å; F41-L45 HydrophobicContact CD1-CG 4.26Å; F41-L45 HydrophobicContact CE1-CD1 3.68Å; F41-L45 HydrophobicContact CE1-CD2 4.15Å; F41-L45 HydrophobicContact CE1-CG 4.05Å; F41-L45 HydrophobicContact CE2-CD2 4.43Å; F41-L45 HydrophobicContact CZ-CD1 4.34Å; F41-L45 HydrophobicContact CZ-CD2 3.96Å; F41-L45 HydrophobicContact CZ-CG 4.31Å; F41-L45 WeakPolarHBondContact O-CG 3.33Å; F41-L45 PolarHBondContact O-N 2.87Å; K42-L45 PolarHBondContact O-N 3.3Å; K42-L45 VanDerWaalsContact O-N 3.14Å; L45-S47 VanDerWaalsContact C-N 3.33Å; L45-H50 WeakPolarHBondContact CD2-NE2 3.43Å; L45-H50 PolarHBondContact O-CD2 3.1Å; L45-H50 VanDerWaalsContact O-CD2 3.31Å
46T90.6Very high89.7Confident101 Ų10176.5 Ų76.562%0.6239%0.388SS*.THydrogen-bonded Turntrans-83.6-7.1175.858.80000113.8K42 C43 H44K42-T46 PolarHBondContact O-N 3.02Å; K42-T46 VanDerWaalsContact O-N 3.14Å; K42-T46 PolarHBondContact O-OG1 3.4Å; C43-T46 PolarHBondContact O-OG1 3.12Å; H44-T46 PolarHBondContact O-N 2.72Å
47S91.5Very high89.8Confident31 Ų3171.9 Ų71.922%0.21737%0.372CS..SBendtrans-73.1141.1-178.769.10000111.8C43 H44 L45 S49 H50 Q51C43-S47 PolarHBondContact O-N 3.18Å; H44-S47 WeakPolarHBondContact O-CB 3.37Å; H44-S47 PolarHBondContact O-N 3Å; H44-S47 PolarHBondContact O-OG 2.88Å; L45-S47 VanDerWaalsContact C-N 3.33Å; S47-S49 PolarHBondContact O-N 2.77Å; S47-S49 PolarHBondContact OG-OG 2.81Å; S47-H50 WeakPolarHBondContact O-CB 3.37Å; S47-H50 PolarHBondContact O-N 3.33Å; S47-Q51 PolarHBondContact O-N 3.27Å
48E91.2Very high89.6Confident117 Ų11770.5 Ų70.555%0.54737%0.368SS..Hα-helixtrans-56.3-36.5179.7-170-172.5-179.200112.4H50 Q51 R52E48-H50 VanDerWaalsContact C-N 3.34Å; E48-H50 PolarHBondContact O-N 3.04Å; E48-Q51 PolarHBondContact O-N 3.21Å; E48-R52 VanDerWaalsContact CD-NH2 3.33Å; E48-R52 HydrophobicContact CG-CG 4.49Å; E48-R52 VanDerWaalsContact O-CG 3.29Å; E48-R52 WeakPolarHBondContact O-CG 3.49Å; E48-R52 PolarHBondContact O-N 2.7Å; E48-R52 IonicContact OE1-CZ 3.07Å; E48-R52 VanDerWaalsContact OE1-CZ 3.28Å; E48-R52 IonicContact OE1-NE 3.61Å; E48-R52 PolarHBondContact OE1-NE 3.5Å; E48-R52 IonicContact OE1-NH2 3.71Å; E48-R52 PolarHBondContact OE1-NH2 3.45Å; E48-R52 IonicContact OE2-NH2 2.98Å
49S89.9Confident89.4Confident72 Ų7270.2 Ų70.250%0.50337%0.367SS..Hα-helixtrans-64.6-37177.658.50000112.9S47 Q53S47-S49 PolarHBondContact O-N 2.77Å; S47-S49 PolarHBondContact OG-OG 2.81Å; S49-Q53 WeakPolarHBondContact O-CG 3.29Å; S49-Q53 PolarHBondContact O-N 2.83Å
50H91.8Very high89Confident20 Ų2066.9 Ų66.99%0.09335%0.351CS..Hα-helixtrans-69-43.7173.5179.976.2000111.4C28 H44 L45 S47 E48 R52 Q53 L54C28-H50 VanDerWaalsContact SG-CE1 3.59Å; C28-H50 PolarHBondContact SG-ND1 3.29Å; H44-H50 AromaticContact CE1-ND1 3.86Å; H44-H50 AromaticContact NE2-ND1 3.63Å; H44-H50 WeakPolarHBondContact O-CB 3.1Å; L45-H50 WeakPolarHBondContact CD2-NE2 3.43Å; L45-H50 PolarHBondContact O-CD2 3.1Å; L45-H50 VanDerWaalsContact O-CD2 3.31Å; S47-H50 WeakPolarHBondContact O-CB 3.37Å; S47-H50 PolarHBondContact O-N 3.33Å; E48-H50 VanDerWaalsContact C-N 3.34Å; E48-H50 PolarHBondContact O-N 3.04Å; H50-R52 VanDerWaalsContact C-N 3.32Å; H50-R52 PolarHBondContact O-N 3.19Å; H50-Q53 PolarHBondContact O-N 3.33Å; H50-Q53 VanDerWaalsContact O-N 3.16Å; H50-L54 PolarHBondContact O-N 2.83Å
51Q90.6Very high88.7Confident100 Ų10068.5 Ų68.547%0.46736%0.357SS..Hα-helixtrans-60.4-41.2177.8-68.2174.9-21.100112S47 E48 L54 L55S47-Q51 PolarHBondContact O-N 3.27Å; E48-Q51 PolarHBondContact O-N 3.21Å; Q51-L54 WeakPolarHBondContact O-CB 3.26Å; Q51-L54 PolarHBondContact O-N 3.13Å; Q51-L55 WeakPolarHBondContact O-CG 3.43Å; Q51-L55 PolarHBondContact O-N 3.25Å
52R90.8Very high88.4Confident147 Ų14768.6 Ų68.656%0.55537%0.368SS*.Hα-helixtrans-61.8-42.8173.8-71.2175.8-173-168.92.9112.3E48 H50 L54 L55 L56E48-R52 VanDerWaalsContact CD-NH2 3.33Å; E48-R52 HydrophobicContact CG-CG 4.49Å; E48-R52 VanDerWaalsContact O-CG 3.29Å; E48-R52 WeakPolarHBondContact O-CG 3.49Å; E48-R52 PolarHBondContact O-N 2.7Å; E48-R52 IonicContact OE1-CZ 3.07Å; E48-R52 VanDerWaalsContact OE1-CZ 3.28Å; E48-R52 IonicContact OE1-NE 3.61Å; E48-R52 PolarHBondContact OE1-NE 3.5Å; E48-R52 IonicContact OE1-NH2 3.71Å; E48-R52 PolarHBondContact OE1-NH2 3.45Å; E48-R52 IonicContact OE2-NH2 2.98Å; H50-R52 VanDerWaalsContact C-N 3.32Å; H50-R52 PolarHBondContact O-N 3.19Å; R52-L54 VanDerWaalsContact C-N 3.32Å; R52-L54 PolarHBondContact O-N 3.19Å; R52-L55 WeakPolarHBondContact O-CB 3.23Å; R52-L55 PolarHBondContact O-N 2.83Å; R52-L56 WeakPolarHBondContact O-CG 3.27Å; R52-L56 PolarHBondContact O-N 3.49Å
53Q88Confident88.2Confident72 Ų7270.2 Ų70.234%0.33637%0.371SS..Hα-helixtrans-66.2-35175.6-70.5-64-21.700112.4M30 S49 H50 L56 F57M30-Q53 HydrophobicContact CB-CB 4.29Å; S49-Q53 WeakPolarHBondContact O-CG 3.29Å; S49-Q53 PolarHBondContact O-N 2.83Å; H50-Q53 PolarHBondContact O-N 3.33Å; H50-Q53 VanDerWaalsContact O-N 3.16Å; Q53-L56 PolarHBondContact O-N 3.43Å; Q53-F57 PolarHBondContact O-N 3.02Å
54L87.5Confident87.9Confident79 Ų7969.1 Ų69.141%0.41436%0.357SS..Hα-helixtrans-66.4-37.9175.8-167.773.2000111.9H50 Q51 R52 F57 S58H50-L54 PolarHBondContact O-N 2.83Å; Q51-L54 WeakPolarHBondContact O-CB 3.26Å; Q51-L54 PolarHBondContact O-N 3.13Å; R52-L54 VanDerWaalsContact C-N 3.32Å; R52-L54 PolarHBondContact O-N 3.19Å; L54-F57 PolarHBondContact O-N 2.99Å; L54-S58 WeakPolarHBondContact O-CB 3.29Å; L54-S58 PolarHBondContact O-N 3.18Å
55L86.8Confident87.7Confident44 Ų4473.1 Ų73.123%0.2338%0.377CS..Hα-helixtrans-59.9-49.9173.3-75.6165.9000110.9Q51 R52 F57 S58 E59 L259 I262Q51-L55 WeakPolarHBondContact O-CG 3.43Å; Q51-L55 PolarHBondContact O-N 3.25Å; R52-L55 WeakPolarHBondContact O-CB 3.23Å; R52-L55 PolarHBondContact O-N 2.83Å; L55-F57 VanDerWaalsContact C-N 3.3Å; L55-F57 PolarHBondContact O-N 2.79Å; L55-S58 WeakPolarHBondContact O-CB 3.28Å; L55-S58 PolarHBondContact O-N 2.78Å; L55-S58 PolarHBondContact O-OG 3.33Å; L55-E59 PolarHBondContact O-N 2.81Å; L55-E59 VanDerWaalsContact O-N 3.16Å; L55-L259 HydrophobicContact CD2-CB 4.42Å; L55-L259 HydrophobicContact CD2-CD1 3.45Å; L55-L259 VanDerWaalsContact CD2-CD1 3.45Å; L55-L259 HydrophobicContact CD2-CG 3.79Å; L55-L259 HydrophobicContact CG-CD1 4.35Å; L55-I262 HydrophobicContact CD1-CD1 4.46Å
56L85.9Confident87.7Confident70 Ų7074.7 Ų74.737%0.36639%0.385SS..Hα-helixtrans-58.7-42.5176.4-64.8173.4000112.1R52 Q53 S58 E59 Y64R52-L56 WeakPolarHBondContact O-CG 3.27Å; R52-L56 PolarHBondContact O-N 3.49Å; Q53-L56 PolarHBondContact O-N 3.43Å; L56-S58 VanDerWaalsContact C-N 3.3Å; L56-S58 PolarHBondContact O-N 2.83Å; L56-E59 PolarHBondContact O-N 3.36Å; L56-Y64 HydrophobicContact CB-CE2 4.42Å; L56-Y64 WeakPolarHBondContact CB-OH 3.3Å; L56-Y64 VanDerWaalsContact O-CE2 3.31Å; L56-Y64 WeakPolarHBondContact O-CE2 3.43Å
57F85.5Confident87.8Confident49 Ų4973.3 Ų73.322%0.21537%0.372CS..Hα-helixtrans-61.7-38.8175.5-179.5-98.1000112.4M30 Q53 L54 L55 E59 C60 P61 Y64 M65M30-F57 HydrophobicContact CE-CD2 4.42Å; M30-F57 HydrophobicContact CE-CE2 4.48Å; M30-F57 HydrophobicContact SD-CB 4.23Å; M30-F57 HydrophobicContact SD-CD2 3.56Å; M30-F57 VanDerWaalsContact SD-CD2 3.56Å; M30-F57 HydrophobicContact SD-CE2 4.18Å; M30-F57 HydrophobicContact SD-CG 4Å; Q53-F57 PolarHBondContact O-N 3.02Å; L54-F57 PolarHBondContact O-N 2.99Å; L55-F57 VanDerWaalsContact C-N 3.3Å; L55-F57 PolarHBondContact O-N 2.79Å; F57-E59 VanDerWaalsContact C-N 3.32Å; F57-E59 PolarHBondContact O-N 2.84Å; F57-C60 CarbonylContact O-C 3.51Å; F57-C60 PolarHBondContact O-N 2.83Å; F57-P61 HydrophobicContact CE1-CB 4.22Å; F57-P61 HydrophobicContact CZ-CB 4.1Å; F57-P61 VanDerWaalsContact O-CA 3.29Å; F57-P61 WeakPolarHBondContact O-CA 3.44Å; F57-P61 WeakPolarHBondContact O-CD 2.97Å; F57-Y64 HydrophobicContact CB-CD2 4.37Å; F57-Y64 AromaticContact CD2-CD2 3.91Å; F57-Y64 HydrophobicContact CD2-CD2 3.91Å; F57-Y64 AromaticContact CD2-CG 3.82Å; F57-Y64 HydrophobicContact CD2-CG 3.82Å; F57-Y64 HydrophobicContact CE2-CG 4.49Å; F57-M65 HydrophobicContact CZ-CE 4.45Å
58S84Confident87.8Confident44 Ų4472.6 Ų72.631%0.30837%0.365SS..Hα-helixtrans-67.4-30.6-179.574.10000113.4L54 L55 L56L54-S58 WeakPolarHBondContact O-CB 3.29Å; L54-S58 PolarHBondContact O-N 3.18Å; L55-S58 WeakPolarHBondContact O-CB 3.28Å; L55-S58 PolarHBondContact O-N 2.78Å; L55-S58 PolarHBondContact O-OG 3.33Å; L56-S58 VanDerWaalsContact C-N 3.3Å; L56-S58 PolarHBondContact O-N 2.83Å
59E84.8Confident87.9Confident98 Ų9867.3 Ų67.346%0.45834%0.341SS..Hα-helixtrans-68.4-38.1176.4-68.7169.5-157.500111.8L55 L56 F57L55-E59 PolarHBondContact O-N 2.81Å; L55-E59 VanDerWaalsContact O-N 3.16Å; L56-E59 PolarHBondContact O-N 3.36Å; F57-E59 VanDerWaalsContact C-N 3.32Å; F57-E59 PolarHBondContact O-N 2.84Å
60C81.5Confident88.1Confident35 Ų3568 Ų6824%0.23634%0.342CS..  trans-140.360.6-171.9-62.90000112.6F57 G62 R63 Y64F57-C60 CarbonylContact O-C 3.51Å; F57-C60 PolarHBondContact O-N 2.83Å; C60-G62 VanDerWaalsContact C-N 3.26Å; C60-G62 PolarHBondContact O-N 3.17Å; C60-R63 HydrophobicContact CB-CB 3.89Å; C60-R63 WeakPolarHBondContact O-CB 3.27Å; C60-R63 PolarHBondContact O-N 2.77Å; C60-Y64 WeakPolarHBondContact O-CD2 3.3Å; C60-Y64 PolarHBondContact O-N 2.81Å
61P84.7Confident88.2Confident60 Ų6071.6 Ų71.639%0.3936%0.359SS..Hα-helixtrans-60.5-38.4-173.823.5-33.8000111.8F57 R63 Y64 M65F57-P61 HydrophobicContact CE1-CB 4.22Å; F57-P61 HydrophobicContact CZ-CB 4.1Å; F57-P61 VanDerWaalsContact O-CA 3.29Å; F57-P61 WeakPolarHBondContact O-CA 3.44Å; F57-P61 WeakPolarHBondContact O-CD 2.97Å; P61-R63 VanDerWaalsContact C-N 3.32Å; P61-R63 PolarHBondContact O-N 3.16Å; P61-Y64 PolarHBondContact O-N 3.48Å; P61-M65 WeakPolarHBondContact O-CB 3.19Å; P61-M65 VanDerWaalsContact O-CG 3.3Å; P61-M65 WeakPolarHBondContact O-CG 3.49Å; P61-M65 PolarHBondContact O-N 2.95Å
62G84.2Confident88.4Confident38 Ų3866.9 Ų66.939%0.39234%0.337SS..Hα-helixtrans-63.3-35.4177.900000113.2C60 N66C60-G62 VanDerWaalsContact C-N 3.26Å; C60-G62 PolarHBondContact O-N 3.17Å; G62-N66 VanDerWaalsContact O-CB 3.29Å; G62-N66 WeakPolarHBondContact O-CB 3.24Å; G62-N66 PolarHBondContact O-N 2.91Å; G62-N66 PolarHBondContact O-ND2 3.43Å; G62-N66 VanDerWaalsContact O-ND2 3.09Å
63R87.1Confident88.6Confident154 Ų15461.5 Ų61.558%0.58132%0.318SS*.Hα-helixtrans-66.2-51.4178.5-177.6-177.7169.2178.3-1.9110.8C60 P61 M65 N66 E67C60-R63 HydrophobicContact CB-CB 3.89Å; C60-R63 WeakPolarHBondContact O-CB 3.27Å; C60-R63 PolarHBondContact O-N 2.77Å; P61-R63 VanDerWaalsContact C-N 3.32Å; P61-R63 PolarHBondContact O-N 3.16Å; R63-M65 PolarHBondContact O-N 3.28Å; R63-N66 PolarHBondContact O-N 3.22Å; R63-E67 HydrophobicContact CG-CG 4.46Å; R63-E67 WeakPolarHBondContact CG-OE1 3.13Å; R63-E67 IonicContact CZ-OE1 2.64Å; R63-E67 IonicContact NE-OE1 2.97Å; R63-E67 PolarHBondContact NE-OE1 2.9Å; R63-E67 IonicContact NH2-OE1 2.88Å; R63-E67 PolarHBondContact NH2-OE1 3.26Å; R63-E67 WeakPolarHBondContact O-CG 3.41Å; R63-E67 PolarHBondContact O-N 3.49Å
64Y86.5Confident88.9Confident47 Ų4764.8 Ų64.818%0.18433%0.331CS..Hα-helixtrans-63.1-42.6179.2-75.2-77.5000112L56 F57 C60 P61 N66 E67 F68L56-Y64 HydrophobicContact CB-CE2 4.42Å; L56-Y64 WeakPolarHBondContact CB-OH 3.3Å; L56-Y64 VanDerWaalsContact O-CE2 3.31Å; L56-Y64 WeakPolarHBondContact O-CE2 3.43Å; F57-Y64 HydrophobicContact CB-CD2 4.37Å; F57-Y64 AromaticContact CD2-CD2 3.91Å; F57-Y64 HydrophobicContact CD2-CD2 3.91Å; F57-Y64 AromaticContact CD2-CG 3.82Å; F57-Y64 HydrophobicContact CD2-CG 3.82Å; F57-Y64 HydrophobicContact CE2-CG 4.49Å; C60-Y64 WeakPolarHBondContact O-CD2 3.3Å; C60-Y64 PolarHBondContact O-N 2.81Å; P61-Y64 PolarHBondContact O-N 3.48Å; Y64-N66 VanDerWaalsContact C-N 3.3Å; Y64-N66 PolarHBondContact O-N 3.2Å; Y64-E67 PolarHBondContact O-N 3.2Å; Y64-F68 HydrophobicContact CD1-CE2 4.34Å; Y64-F68 HydrophobicContact CD1-CZ 4.32Å; Y64-F68 WeakPolarHBondContact O-CB 3.08Å; Y64-F68 WeakPolarHBondContact O-CD2 3.47Å; Y64-F68 VanDerWaalsContact O-CG 3.32Å; Y64-F68 WeakPolarHBondContact O-CG 3.28Å; Y64-F68 PolarHBondContact O-N 2.97Å
65M87.6Confident89.2Confident87 Ų8763.5 Ų63.543%0.42933%0.327SS..Hα-helixtrans-59-42.7174.4-75.6-176.3164.500111.7F57 P61 R63 S69F57-M65 HydrophobicContact CZ-CE 4.45Å; P61-M65 WeakPolarHBondContact O-CB 3.19Å; P61-M65 VanDerWaalsContact O-CG 3.3Å; P61-M65 WeakPolarHBondContact O-CG 3.49Å; P61-M65 PolarHBondContact O-N 2.95Å; R63-M65 PolarHBondContact O-N 3.28Å; M65-S69 VanDerWaalsContact O-CB 3.22Å; M65-S69 WeakPolarHBondContact O-CB 3.32Å; M65-S69 PolarHBondContact O-N 3.49Å; M65-S69 PolarHBondContact O-OG 3.41Å
66N91.3Very high89.6Confident103 Ų10361.4 Ų61.455%0.55132%0.316SS*.Hα-helixtrans-67-44.9177-71.3-22.3000111.7G62 R63 Y64 F68 S69 T70G62-N66 VanDerWaalsContact O-CB 3.29Å; G62-N66 WeakPolarHBondContact O-CB 3.24Å; G62-N66 PolarHBondContact O-N 2.91Å; G62-N66 PolarHBondContact O-ND2 3.43Å; G62-N66 VanDerWaalsContact O-ND2 3.09Å; R63-N66 PolarHBondContact O-N 3.22Å; Y64-N66 VanDerWaalsContact C-N 3.3Å; Y64-N66 PolarHBondContact O-N 3.2Å; N66-F68 PolarHBondContact O-N 2.69Å; N66-S69 PolarHBondContact O-N 2.77Å; N66-T70 WeakPolarHBondContact O-CB 3.43Å; N66-T70 VanDerWaalsContact O-CG2 3.23Å; N66-T70 WeakPolarHBondContact O-CG2 3.09Å; N66-T70 PolarHBondContact O-N 2.89Å; N66-T70 PolarHBondContact O-OG1 2.81Å; N66-T70 VanDerWaalsContact O-OG1 3.07Å
67E91.9Very high89.9Confident73 Ų7359.2 Ų59.234%0.34130%0.304SS..Hα-helixtrans-57.3-51.1175.9-74.1175.7-173.800110.9R63 Y64 S69 T70 E71R63-E67 HydrophobicContact CG-CG 4.46Å; R63-E67 WeakPolarHBondContact CG-OE1 3.13Å; R63-E67 IonicContact CZ-OE1 2.64Å; R63-E67 IonicContact NE-OE1 2.97Å; R63-E67 PolarHBondContact NE-OE1 2.9Å; R63-E67 IonicContact NH2-OE1 2.88Å; R63-E67 PolarHBondContact NH2-OE1 3.26Å; R63-E67 WeakPolarHBondContact O-CG 3.41Å; R63-E67 PolarHBondContact O-N 3.49Å; Y64-E67 PolarHBondContact O-N 3.2Å; E67-S69 VanDerWaalsContact C-N 3.32Å; E67-S69 PolarHBondContact O-N 3.05Å; E67-T70 PolarHBondContact O-N 2.96Å; E67-T70 PolarHBondContact O-OG1 2.85Å; E67-E71 WeakPolarHBondContact O-CB 3.49Å; E67-E71 PolarHBondContact O-N 3.29Å
68F92.5Very high90.3Very high16 Ų1659.3 Ų59.37%0.0731%0.307CS..Hα-helixtrans-62.7-37.8177.2-64.2-44.4000112.9Q29 M30 Y64 N66 F72 I105Q29-F68 HydrophobicContact CG-CD1 4.2Å; Q29-F68 HydrophobicContact CG-CD2 4.48Å; Q29-F68 HydrophobicContact CG-CE1 3.96Å; Q29-F68 HydrophobicContact CG-CE2 4.3Å; Q29-F68 HydrophobicContact CG-CG 4.47Å; Q29-F68 HydrophobicContact CG-CZ 4.03Å; M30-F68 HydrophobicContact CE-CD2 4.07Å; M30-F68 HydrophobicContact CE-CE2 3.16Å; M30-F68 HydrophobicContact CE-CZ 3.64Å; M30-F68 HydrophobicContact SD-CE2 3.86Å; M30-F68 HydrophobicContact SD-CZ 4.1Å; Y64-F68 HydrophobicContact CD1-CE2 4.34Å; Y64-F68 HydrophobicContact CD1-CZ 4.32Å; Y64-F68 WeakPolarHBondContact O-CB 3.08Å; Y64-F68 WeakPolarHBondContact O-CD2 3.47Å; Y64-F68 VanDerWaalsContact O-CG 3.32Å; Y64-F68 WeakPolarHBondContact O-CG 3.28Å; Y64-F68 PolarHBondContact O-N 2.97Å; N66-F68 PolarHBondContact O-N 2.69Å; F68-F72 WeakPolarHBondContact O-CB 3.17Å; F68-F72 PolarHBondContact O-N 3.42Å; F68-I105 HydrophobicContact CB-CD1 4.32Å; F68-I105 HydrophobicContact CB-CG2 4.01Å; F68-I105 HydrophobicContact CD1-CD1 4.14Å; F68-I105 HydrophobicContact CG-CG2 4.49Å; F68-I105 WeakPolarHBondContact O-CD1 3.45Å
69S93.4Very high90.8Very high6 Ų658.7 Ų58.74%0.04230%0.3CS..Hα-helixtrans-69.7-40.9179-56.90000111.8M65 N66 E67 Q73 T110 C111 W112M65-S69 VanDerWaalsContact O-CB 3.22Å; M65-S69 WeakPolarHBondContact O-CB 3.32Å; M65-S69 PolarHBondContact O-N 3.49Å; M65-S69 PolarHBondContact O-OG 3.41Å; N66-S69 PolarHBondContact O-N 2.77Å; E67-S69 VanDerWaalsContact C-N 3.32Å; E67-S69 PolarHBondContact O-N 3.05Å; S69-Q73 VanDerWaalsContact O-CB 3.31Å; S69-Q73 WeakPolarHBondContact O-CB 3.36Å; S69-Q73 PolarHBondContact O-N 3.07Å; S69-T110 WeakPolarHBondContact OG-CA 3.25Å; S69-C111 PolarHBondContact OG-N 3.09Å; S69-C111 PolarHBondContact OG-SG 2.88Å; S69-C111 VanDerWaalsContact OG-SG 3.4Å; S69-W112 WeakPolarHBondContact O-CZ3 3.35Å
70T93.9Very high91.2Very high87 Ų8754 Ų5453%0.53428%0.278SS..Hα-helixtrans-67.4-42.5177.657.10000111.8N66 E67 Q73 K74N66-T70 WeakPolarHBondContact O-CB 3.43Å; N66-T70 VanDerWaalsContact O-CG2 3.23Å; N66-T70 WeakPolarHBondContact O-CG2 3.09Å; N66-T70 PolarHBondContact O-N 2.89Å; N66-T70 PolarHBondContact O-OG1 2.81Å; N66-T70 VanDerWaalsContact O-OG1 3.07Å; E67-T70 PolarHBondContact O-N 2.96Å; E67-T70 PolarHBondContact O-OG1 2.85Å; T70-Q73 PolarHBondContact O-N 3.03Å; T70-K74 VanDerWaalsContact O-CB 3.29Å; T70-K74 WeakPolarHBondContact O-CB 3.49Å; T70-K74 PolarHBondContact O-N 3.06Å
71E93.8Very high91.6Very high95 Ų9557.5 Ų57.544%0.44429%0.286SS..Hα-helixtrans-67.5-42.3176.7-175.8175.8-173.900111.2E67 Q73 K74 V75 I105E67-E71 WeakPolarHBondContact O-CB 3.49Å; E67-E71 PolarHBondContact O-N 3.29Å; E71-Q73 PolarHBondContact O-N 2.83Å; E71-K74 PolarHBondContact O-N 2.7Å; E71-V75 WeakPolarHBondContact O-CG2 3.34Å; E71-V75 PolarHBondContact O-N 2.78Å; E71-I105 HydrophobicContact CB-CD1 3.52Å; E71-I105 HydrophobicContact CG-CD1 3.57Å; E71-I105 WeakPolarHBondContact OE2-CD1 3.45Å
72F94.7Very high91.9Very high0 Ų064.1 Ų64.10%030%0.303CS..Hα-helixtrans-57.3-50.7173175.4-92.5000111.5F68 K74 V75 F76 Y95 Y98 I105 T110 W112 F118F68-F72 WeakPolarHBondContact O-CB 3.17Å; F68-F72 PolarHBondContact O-N 3.42Å; F72-K74 PolarHBondContact O-N 2.79Å; F72-V75 PolarHBondContact O-N 2.86Å; F72-F76 HydrophobicContact CZ-CD2 4.48Å; F72-F76 VanDerWaalsContact O-CB 3.26Å; F72-F76 WeakPolarHBondContact O-CB 3.49Å; F72-F76 PolarHBondContact O-N 2.9Å; F72-Y95 HydrophobicContact CE2-CE2 4.06Å; F72-Y95 HydrophobicContact CZ-CD2 4.43Å; F72-Y95 HydrophobicContact CZ-CE2 4.14Å; F72-Y98 AromaticContact CD2-CE1 3.64Å; F72-Y98 HydrophobicContact CD2-CE1 3.64Å; F72-Y98 HydrophobicContact CD2-CE2 4.3Å; F72-Y98 AromaticContact CD2-CZ 3.49Å; F72-Y98 VanDerWaalsContact CD2-CZ 3.49Å; F72-Y98 VanDerWaalsContact CD2-OH 3.31Å; F72-Y98 WeakPolarHBondContact CD2-OH 3.46Å; F72-Y98 HydrophobicContact CE2-CD1 4.03Å; F72-Y98 AromaticContact CE2-CE1 3.46Å; F72-Y98 HydrophobicContact CE2-CE1 3.46Å; F72-Y98 VanDerWaalsContact CE2-CE1 3.46Å; F72-Y98 AromaticContact CE2-CZ 3.78Å; F72-I105 HydrophobicContact CB-CB 4.46Å; F72-T110 HydrophobicContact CB-CG2 3.66Å; F72-T110 HydrophobicContact CD1-CG2 4.3Å; F72-T110 HydrophobicContact CD2-CG2 4.15Å; F72-T110 HydrophobicContact CG-CG2 3.78Å; F72-W112 AromaticContact CD1-CE3 3.95Å; F72-W112 HydrophobicContact CD1-CE3 3.95Å; F72-W112 AromaticContact CD1-CZ3 3.85Å; F72-W112 HydrophobicContact CD1-CZ3 3.85Å; F72-W112 HydrophobicContact CE1-CE3 4.26Å; F72-F118 HydrophobicContact CD1-CD2 4.43Å; F72-F118 HydrophobicContact CD1-CE1 4.47Å; F72-F118 HydrophobicContact CD1-CE2 4.11Å; F72-F118 HydrophobicContact CD1-CZ 4.13Å; F72-F118 AromaticContact CE1-CD1 3.72Å; F72-F118 HydrophobicContact CE1-CD1 3.72Å; F72-F118 AromaticContact CE1-CD2 3.96Å; F72-F118 HydrophobicContact CE1-CD2 3.96Å; F72-F118 AromaticContact CE1-CE1 3.65Å; F72-F118 HydrophobicContact CE1-CE1 3.65Å; F72-F118 AromaticContact CE1-CE2 3.9Å; F72-F118 HydrophobicContact CE1-CE2 3.9Å; F72-F118 AromaticContact CE1-CG 3.86Å; F72-F118 HydrophobicContact CE1-CG 3.86Å; F72-F118 AromaticContact CE1-CZ 3.74Å; F72-F118 HydrophobicContact CE1-CZ 3.74Å; F72-F118 HydrophobicContact CZ-CD1 4.34Å; F72-F118 HydrophobicContact CZ-CE1 4.38Å
73Q94.3Very high92.3Very high35 Ų3567.3 Ų67.316%0.16431%0.308CS..Hα-helixtrans-60.7-45.6179.4178.9-177.4-2300111.3S69 T70 E71 F76 L77 W112 F118S69-Q73 VanDerWaalsContact O-CB 3.31Å; S69-Q73 WeakPolarHBondContact O-CB 3.36Å; S69-Q73 PolarHBondContact O-N 3.07Å; T70-Q73 PolarHBondContact O-N 3.03Å; E71-Q73 PolarHBondContact O-N 2.83Å; Q73-F76 PolarHBondContact O-N 2.84Å; Q73-L77 HydrophobicContact CG-CD1 3.8Å; Q73-L77 HydrophobicContact CG-CG 4.37Å; Q73-L77 WeakPolarHBondContact O-CB 3.44Å; Q73-L77 VanDerWaalsContact O-CG 3.27Å; Q73-L77 WeakPolarHBondContact O-CG 3.23Å; Q73-L77 PolarHBondContact O-N 2.94Å; Q73-W112 HydrophobicContact CB-CH2 4.24Å; Q73-W112 HydrophobicContact CB-CZ3 4.46Å; Q73-F118 HydrophobicContact CB-CE2 4.27Å; Q73-F118 HydrophobicContact CB-CZ 4.49Å; Q73-F118 HydrophobicContact CG-CE2 4.32Å; Q73-F118 HydrophobicContact CG-CZ 4.46Å
74K94.4Very high92.5Very high141 Ų14162 Ų6261%0.61329%0.289SS*.Hα-helixtrans-59.7-52.5-179.6-177.8-178.5178.3-176.70111.4T70 E71 F72 F76 L77 D78T70-K74 VanDerWaalsContact O-CB 3.29Å; T70-K74 WeakPolarHBondContact O-CB 3.49Å; T70-K74 PolarHBondContact O-N 3.06Å; E71-K74 PolarHBondContact O-N 2.7Å; F72-K74 PolarHBondContact O-N 2.79Å; K74-F76 PolarHBondContact O-N 3.06Å; K74-L77 PolarHBondContact O-N 2.95Å; K74-D78 WeakPolarHBondContact O-CB 3.44Å; K74-D78 PolarHBondContact O-N 3.07Å
75V94.2Very high92.6Very high51 Ų5160.9 Ų60.931%0.30929%0.292SS..Hα-helixtrans-66.2-39.2-178.1177.40000111E71 F72 D78 I79 Y98E71-V75 WeakPolarHBondContact O-CG2 3.34Å; E71-V75 PolarHBondContact O-N 2.78Å; F72-V75 PolarHBondContact O-N 2.86Å; V75-D78 PolarHBondContact O-N 3.31Å; V75-I79 HydrophobicContact CG1-CD1 4.31Å; V75-I79 WeakPolarHBondContact O-CG1 3.31Å; V75-I79 PolarHBondContact O-N 3.15Å; V75-Y98 HydrophobicContact CB-CD2 4.42Å; V75-Y98 HydrophobicContact CB-CE2 3.86Å; V75-Y98 HydrophobicContact CG1-CD2 3.83Å; V75-Y98 HydrophobicContact CG1-CE2 3.57Å
76F94.7Very high92.7Very high0 Ų060.7 Ų60.70%030%0.296CS..Hα-helixtrans-62.2-45.1176-172.4-82.6000112.1F72 Q73 K74 I79 L80 V94 Y95 L115 F118 L122 I139F72-F76 HydrophobicContact CZ-CD2 4.48Å; F72-F76 VanDerWaalsContact O-CB 3.26Å; F72-F76 WeakPolarHBondContact O-CB 3.49Å; F72-F76 PolarHBondContact O-N 2.9Å; Q73-F76 PolarHBondContact O-N 2.84Å; K74-F76 PolarHBondContact O-N 3.06Å; F76-I79 PolarHBondContact O-N 3.14Å; F76-L80 PolarHBondContact O-N 3.27Å; F76-V94 HydrophobicContact CD1-CG1 4.34Å; F76-V94 HydrophobicContact CD2-CG1 4.36Å; F76-V94 HydrophobicContact CE1-CB 4.43Å; F76-V94 HydrophobicContact CE1-CG1 3.82Å; F76-V94 HydrophobicContact CE2-CB 4.16Å; F76-V94 HydrophobicContact CE2-CG1 3.84Å; F76-V94 HydrophobicContact CZ-CB 3.79Å; F76-V94 HydrophobicContact CZ-CG1 3.54Å; F76-Y95 HydrophobicContact CE2-CD2 4.35Å; F76-L115 HydrophobicContact CE2-CD1 4.31Å; F76-F118 HydrophobicContact CB-CE1 4.25Å; F76-F118 HydrophobicContact CB-CZ 4.29Å; F76-F118 AromaticContact CD1-CE1 3.54Å; F76-F118 HydrophobicContact CD1-CE1 3.54Å; F76-F118 HydrophobicContact CD1-CZ 4.05Å; F76-F118 HydrophobicContact CD2-CE1 4.02Å; F76-F118 AromaticContact CE1-CE1 3.78Å; F76-F118 HydrophobicContact CE1-CE1 3.78Å; F76-F118 HydrophobicContact CE2-CE1 4.23Å; F76-F118 AromaticContact CG-CE1 3.66Å; F76-F118 HydrophobicContact CG-CE1 3.66Å; F76-F118 HydrophobicContact CG-CZ 4.16Å; F76-F118 HydrophobicContact CZ-CE1 4.12Å; F76-L122 HydrophobicContact CE1-CD1 4.31Å; F76-I139 HydrophobicContact CE1-CD1 3.78Å; F76-I139 HydrophobicContact CZ-CD1 3.91Å
77L93.3Very high92.7Very high25 Ų2563.1 Ų63.113%0.13130%0.302CS..Hα-helixtrans-68.3-35.3177.3-70.1175.1000112.2Q73 K74 I79 L80 R81 L122 I127 Y141Q73-L77 HydrophobicContact CG-CD1 3.8Å; Q73-L77 HydrophobicContact CG-CG 4.37Å; Q73-L77 WeakPolarHBondContact O-CB 3.44Å; Q73-L77 VanDerWaalsContact O-CG 3.27Å; Q73-L77 WeakPolarHBondContact O-CG 3.23Å; Q73-L77 PolarHBondContact O-N 2.94Å; K74-L77 PolarHBondContact O-N 2.95Å; L77-I79 VanDerWaalsContact C-N 3.34Å; L77-I79 PolarHBondContact O-N 2.9Å; L77-L80 HydrophobicContact CD2-CD2 4.31Å; L77-L80 PolarHBondContact O-N 2.84Å; L77-R81 WeakPolarHBondContact O-CB 3.06Å; L77-R81 PolarHBondContact O-N 2.65Å; L77-L122 HydrophobicContact CD2-CD2 4.31Å; L77-I127 HydrophobicContact CD1-CD1 4.37Å; L77-I127 HydrophobicContact CD1-CG2 3.95Å; L77-I127 HydrophobicContact CD2-CG2 3.76Å; L77-Y141 HydrophobicContact CD2-CD2 4.31Å; L77-Y141 HydrophobicContact CD2-CE2 4.33Å
78D93.3Very high92.8Very high51 Ų5165.6 Ų65.627%0.27331%0.308SS..Hα-helixtrans-61.3-42.6173.9-80-18.6000111.4K74 V75 R82K74-D78 WeakPolarHBondContact O-CB 3.44Å; K74-D78 PolarHBondContact O-N 3.07Å; V75-D78 PolarHBondContact O-N 3.31Å; D78-R82 VanDerWaalsContact O-CB 3.25Å; D78-R82 WeakPolarHBondContact O-CB 3.17Å; D78-R82 WeakPolarHBondContact O-CG 3.37Å; D78-R82 PolarHBondContact O-N 2.96Å
79I94.1Very high92.8Very high30 Ų3065.7 Ų65.715%0.15431%0.31CS..Hα-helixtrans-64-45.6174.7-66.9169.9000110.3V75 F76 L77 R81 R82 Q83 V94 E97 Y98V75-I79 HydrophobicContact CG1-CD1 4.31Å; V75-I79 WeakPolarHBondContact O-CG1 3.31Å; V75-I79 PolarHBondContact O-N 3.15Å; F76-I79 PolarHBondContact O-N 3.14Å; L77-I79 VanDerWaalsContact C-N 3.34Å; L77-I79 PolarHBondContact O-N 2.9Å; I79-R81 PolarHBondContact O-N 2.64Å; I79-R82 PolarHBondContact O-N 3.05Å; I79-Q83 HydrophobicContact CG2-CG 4.49Å; I79-Q83 WeakPolarHBondContact O-CB 3.5Å; I79-Q83 PolarHBondContact O-N 2.86Å; I79-V94 HydrophobicContact CG2-CG1 4.17Å; I79-E97 HydrophobicContact CG2-CB 3.91Å; I79-Y98 HydrophobicContact CD1-CD2 3.94Å; I79-Y98 HydrophobicContact CD1-CG 4.43Å
80L93.3Very high92.9Very high0 Ų068.6 Ų68.60%032%0.322CS..Iπ-helixtrans-58.2-47.9178.6-171.667000111.4F76 L77 F84 G85 V94 I139 Y141F76-L80 PolarHBondContact O-N 3.27Å; L77-L80 HydrophobicContact CD2-CD2 4.31Å; L77-L80 PolarHBondContact O-N 2.84Å; L80-F84 HydrophobicContact CD1-CB 4.28Å; L80-F84 HydrophobicContact CD1-CD2 4.23Å; L80-F84 WeakPolarHBondContact O-CB 3.29Å; L80-F84 PolarHBondContact O-N 2.77Å; L80-F84 VanDerWaalsContact O-N 3.09Å; L80-G85 PolarHBondContact O-N 3.48Å; L80-V94 HydrophobicContact CB-CG1 4.34Å; L80-V94 HydrophobicContact CD1-CG1 4.24Å; L80-V94 HydrophobicContact CD1-CG2 3.84Å; L80-I139 HydrophobicContact CD1-CD1 3.99Å; L80-I139 HydrophobicContact CD1-CG1 4.27Å; L80-I139 HydrophobicContact CD2-CD1 4.26Å; L80-Y141 HydrophobicContact CD2-CD2 4.14Å; L80-Y141 HydrophobicContact CD2-CG 4.37Å
81R91.4Very high93Very high108 Ų10864.5 Ų64.541%0.40830%0.296SS..Iπ-helixtrans-64.6-45.4178.4-178.8-178.4173.6166.87.8112.1L77 I79 G85 E145L77-R81 WeakPolarHBondContact O-CB 3.06Å; L77-R81 PolarHBondContact O-N 2.65Å; I79-R81 PolarHBondContact O-N 2.64Å; R81-G85 PolarHBondContact O-N 2.87Å; R81-E145 IonicContact CZ-OE2 3.43Å; R81-E145 IonicContact NH1-OE2 3.49Å; R81-E145 IonicContact NH2-OE2 2.8Å; R81-E145 PolarHBondContact NH2-OE2 2.98Å
82R91.1Very high93Very high200 Ų20063.8 Ų63.876%0.75530%0.296SS*.Iπ-helixtrans-72.9-44-174.6-73174.9-172.8173.16.3113.3D78 I79D78-R82 VanDerWaalsContact O-CB 3.25Å; D78-R82 WeakPolarHBondContact O-CB 3.17Å; D78-R82 WeakPolarHBondContact O-CG 3.37Å; D78-R82 PolarHBondContact O-N 2.96Å; I79-R82 PolarHBondContact O-N 3.05Å
83Q92.1Very high93Very high105 Ų10566.3 Ų66.349%0.49131%0.311SS..Iπ-helixtrans-94-36.9-171.9-66.1-176.3-11.800113.1I79 E97I79-Q83 HydrophobicContact CG2-CG 4.49Å; I79-Q83 WeakPolarHBondContact O-CB 3.5Å; I79-Q83 PolarHBondContact O-N 2.86Å; Q83-E97 VanDerWaalsContact OE1-CG 3.31Å
84F91.2Very high93Very high42 Ų4264.6 Ų64.618%0.18430%0.303CS..Iπ-helixtrans-111.9-26.4-170.2-56.6-75.1000113.1L80 T86 K87 V89 T93 V94 E97L80-F84 HydrophobicContact CD1-CB 4.28Å; L80-F84 HydrophobicContact CD1-CD2 4.23Å; L80-F84 WeakPolarHBondContact O-CB 3.29Å; L80-F84 PolarHBondContact O-N 2.77Å; L80-F84 VanDerWaalsContact O-N 3.09Å; F84-T86 PolarHBondContact O-N 3.46Å; F84-K87 WeakPolarHBondContact O-CB 3.15Å; F84-K87 WeakPolarHBondContact O-CG 3.47Å; F84-K87 PolarHBondContact O-N 3.41Å; F84-V89 HydrophobicContact CB-CG2 3.88Å; F84-V89 HydrophobicContact CD1-CB 4.19Å; F84-V89 HydrophobicContact CD1-CG1 3.79Å; F84-V89 HydrophobicContact CD1-CG2 3.51Å; F84-V89 HydrophobicContact CE1-CG1 3.72Å; F84-V89 HydrophobicContact CE1-CG2 4.26Å; F84-V89 HydrophobicContact CG-CB 4.42Å; F84-V89 HydrophobicContact CG-CG1 4.28Å; F84-V89 HydrophobicContact CG-CG2 3.86Å; F84-V89 HydrophobicContact CZ-CG1 4.21Å; F84-T93 HydrophobicContact CE1-CG2 4.39Å; F84-T93 HydrophobicContact CZ-CG2 4.09Å; F84-V94 HydrophobicContact CD2-CG2 3.94Å; F84-V94 HydrophobicContact CE2-CB 4.31Å; F84-V94 HydrophobicContact CE2-CG1 4.36Å; F84-V94 HydrophobicContact CE2-CG2 3.71Å; F84-V94 HydrophobicContact CZ-CG2 4.27Å; F84-E97 HydrophobicContact CZ-CG 4.47Å
85G88Confident93Very high24 Ų2459.4 Ų59.425%0.24728%0.28CS..THydrogen-bonded Turntrans60-127.6-177.700000110.9L80 R81 Y141L80-G85 PolarHBondContact O-N 3.48Å; R81-G85 PolarHBondContact O-N 2.87Å; G85-Y141 WeakPolarHBondContact O-CB 3.19Å
86T89.6Confident92.9Very high83 Ų8362.8 Ų62.851%0.50929%0.293SS..THydrogen-bonded Turntrans-92.912.4179.855.90000113.7F84 Q140 D143F84-T86 PolarHBondContact O-N 3.46Å; T86-Q140 WeakPolarHBondContact O-CG 3.44Å; T86-Q140 PolarHBondContact O-NE2 2.99Å; T86-D143 HydrophobicContact CG2-CB 4.23Å
87K91.8Very high92.8Very high153 Ų15365.2 Ų65.267%0.66530%0.304SS*.SBendtrans-74.9149.4178.2-65.6-179.9-179.1177.70111.2F84 V89F84-K87 WeakPolarHBondContact O-CB 3.15Å; F84-K87 WeakPolarHBondContact O-CG 3.47Å; F84-K87 PolarHBondContact O-N 3.41Å; K87-V89 HydrophobicContact CB-CG2 4.24Å
88R93Very high92.8Very high125 Ų12564.2 Ų64.247%0.47230%0.298SS..  trans-78.1118.9172.1-174.1-176.5-171.4-138.94109.6D131 Y138R88-D131 IonicContact CZ-OD2 2.59Å; R88-D131 VanDerWaalsContact CZ-OD2 3.29Å; R88-D131 IonicContact NE-OD2 2.73Å; R88-D131 PolarHBondContact NE-OD2 3.31Å; R88-D131 VanDerWaalsContact NH2-CB 3.32Å; R88-D131 IonicContact NH2-OD2 3.83Å; R88-D131 PolarHBondContact NH2-OD2 3.39Å; R88-Y138 HydrophobicContact CG-CD1 4.06Å; R88-Y138 HydrophobicContact CG-CG 4.48Å
89V94.4Very high92.7Very high18 Ų1863.4 Ų63.411%0.10929%0.293CS..EExtended strand (participates in β ladder)trans-135.8148.9-172.6-178.10000110.9F84 K87 A91 V94 Y138 I139F84-V89 HydrophobicContact CB-CG2 3.88Å; F84-V89 HydrophobicContact CD1-CB 4.19Å; F84-V89 HydrophobicContact CD1-CG1 3.79Å; F84-V89 HydrophobicContact CD1-CG2 3.51Å; F84-V89 HydrophobicContact CE1-CG1 3.72Å; F84-V89 HydrophobicContact CE1-CG2 4.26Å; F84-V89 HydrophobicContact CG-CB 4.42Å; F84-V89 HydrophobicContact CG-CG1 4.28Å; F84-V89 HydrophobicContact CG-CG2 3.86Å; F84-V89 HydrophobicContact CZ-CG1 4.21Å; K87-V89 HydrophobicContact CB-CG2 4.24Å; V89-A91 PolarHBondContact O-N 3.35Å; V89-V94 HydrophobicContact CG1-CG2 3.99Å; V89-Y138 CarbonylContact O-C 3.53Å; V89-Y138 WeakPolarHBondContact O-CA 3.47Å; V89-I139 PolarHBondContact N-O 3.34Å; V89-I139 PolarHBondContact O-N 3.2Å
90K94.9Very high92.4Very high67 Ų6768.3 Ų68.329%0.29131%0.314SS..EExtended strand (participates in β ladder)trans-66.4129.6174.8-171.5177-174.2168.70110.2N92 T93 K135 Y138K90-N92 HydrophobicContact CD-CB 4.43Å; K90-N92 HydrophobicContact CG-CB 4.33Å; K90-N92 PolarHBondContact O-N 2.83Å; K90-T93 WeakPolarHBondContact O-CB 3.31Å; K90-T93 PolarHBondContact O-N 3.07Å; K90-K135 WeakPolarHBondContact CE-O 3.2Å; K90-K135 PolarHBondContact NZ-O 3.29Å; K90-Y138 HydrophobicContact CB-CE1 4.25Å
91A94.8Very high92Very high1 Ų172.5 Ų72.51%0.00834%0.336CS..Hα-helixtrans-57-37.1-177.800000113.1V89 T93 V94 Y95 L115 V119 W137 I139V89-A91 PolarHBondContact O-N 3.35Å; A91-T93 VanDerWaalsContact C-N 3.28Å; A91-T93 PolarHBondContact O-N 3.43Å; A91-V94 PolarHBondContact O-N 3.49Å; A91-Y95 PolarHBondContact O-N 3.04Å; A91-L115 HydrophobicContact CB-CD2 4.24Å; A91-V119 HydrophobicContact CB-CG2 3.63Å; A91-W137 HydrophobicContact CB-CB 4.27Å; A91-W137 PolarHBondContact N-O 3.46Å; A91-I139 HydrophobicContact CB-CD1 4.24Å; A91-I139 HydrophobicContact CB-CG1 4.38Å; A91-I139 HydrophobicContact CB-CG2 4.21Å
92N94Very high91.5Very high81 Ų8171.8 Ų71.843%0.43333%0.333SS..Hα-helixtrans-60.9-35.1177.3-74.3-2.7000112.8K90 Y95 Q96 L115K90-N92 HydrophobicContact CD-CB 4.43Å; K90-N92 HydrophobicContact CG-CB 4.33Å; K90-N92 PolarHBondContact O-N 2.83Å; N92-Y95 PolarHBondContact O-N 2.63Å; N92-Q96 WeakPolarHBondContact O-CB 3.31Å; N92-Q96 VanDerWaalsContact O-CG 3.25Å; N92-Q96 WeakPolarHBondContact O-CG 3.36Å; N92-Q96 PolarHBondContact O-N 2.91Å; N92-L115 WeakPolarHBondContact OD1-CD2 3.4Å
93T94.6Very high91.1Very high52 Ų5267.9 Ų67.932%0.31932%0.324SS..Hα-helixtrans-65.7-43.8179.6-56.60000110.2F84 K90 A91 Y95 Q96 E97F84-T93 HydrophobicContact CE1-CG2 4.39Å; F84-T93 HydrophobicContact CZ-CG2 4.09Å; K90-T93 WeakPolarHBondContact O-CB 3.31Å; K90-T93 PolarHBondContact O-N 3.07Å; A91-T93 VanDerWaalsContact C-N 3.28Å; A91-T93 PolarHBondContact O-N 3.43Å; T93-Y95 PolarHBondContact O-N 3.44Å; T93-Q96 PolarHBondContact O-N 3.25Å; T93-E97 WeakPolarHBondContact O-CG 3.29Å; T93-E97 PolarHBondContact O-N 2.89Å
94V94.3Very high91Very high0 Ų063.4 Ų63.40%030%0.303CS..Hα-helixtrans-65.1-41.4176.9-171.80000111F76 I79 L80 F84 V89 A91 Q96 E97 Y98 I139F76-V94 HydrophobicContact CD1-CG1 4.34Å; F76-V94 HydrophobicContact CD2-CG1 4.36Å; F76-V94 HydrophobicContact CE1-CB 4.43Å; F76-V94 HydrophobicContact CE1-CG1 3.82Å; F76-V94 HydrophobicContact CE2-CB 4.16Å; F76-V94 HydrophobicContact CE2-CG1 3.84Å; F76-V94 HydrophobicContact CZ-CB 3.79Å; F76-V94 HydrophobicContact CZ-CG1 3.54Å; I79-V94 HydrophobicContact CG2-CG1 4.17Å; L80-V94 HydrophobicContact CB-CG1 4.34Å; L80-V94 HydrophobicContact CD1-CG1 4.24Å; L80-V94 HydrophobicContact CD1-CG2 3.84Å; F84-V94 HydrophobicContact CD2-CG2 3.94Å; F84-V94 HydrophobicContact CE2-CB 4.31Å; F84-V94 HydrophobicContact CE2-CG1 4.36Å; F84-V94 HydrophobicContact CE2-CG2 3.71Å; F84-V94 HydrophobicContact CZ-CG2 4.27Å; V89-V94 HydrophobicContact CG1-CG2 3.99Å; A91-V94 PolarHBondContact O-N 3.49Å; V94-Q96 VanDerWaalsContact C-N 3.33Å; V94-Q96 PolarHBondContact O-N 3.24Å; V94-E97 WeakPolarHBondContact O-CB 3.46Å; V94-E97 PolarHBondContact O-N 3.4Å; V94-Y98 PolarHBondContact O-N 2.98Å; V94-I139 HydrophobicContact CB-CD1 4.43Å; V94-I139 HydrophobicContact CG2-CD1 4.06Å
95Y94.1Very high91Very high32 Ų3261.6 Ų61.613%0.12530%0.295CS..Hα-helixtrans-66.1-33.1176.9-172.4-116.8000113.1F72 F76 A91 N92 T93 Y98 I99 M107 L115F72-Y95 HydrophobicContact CE2-CE2 4.06Å; F72-Y95 HydrophobicContact CZ-CD2 4.43Å; F72-Y95 HydrophobicContact CZ-CE2 4.14Å; F76-Y95 HydrophobicContact CE2-CD2 4.35Å; A91-Y95 PolarHBondContact O-N 3.04Å; N92-Y95 PolarHBondContact O-N 2.63Å; T93-Y95 PolarHBondContact O-N 3.44Å; Y95-Y98 HydrophobicContact CD2-CD1 4.19Å; Y95-Y98 HydrophobicContact CE2-CD1 4.05Å; Y95-Y98 WeakPolarHBondContact O-CB 3.4Å; Y95-Y98 PolarHBondContact O-N 2.7Å; Y95-I99 HydrophobicContact CD1-CD1 3.55Å; Y95-I99 HydrophobicContact CD2-CD1 4.46Å; Y95-I99 HydrophobicContact CE1-CD1 3.12Å; Y95-I99 HydrophobicContact CE1-CG1 4.15Å; Y95-I99 HydrophobicContact CE2-CD1 4.11Å; Y95-I99 HydrophobicContact CE2-CG1 4.29Å; Y95-I99 HydrophobicContact CG-CD1 4.2Å; Y95-I99 VanDerWaalsContact CZ-CD1 3.43Å; Y95-I99 WeakPolarHBondContact O-CG1 3.48Å; Y95-I99 PolarHBondContact O-N 2.95Å; Y95-I99 VanDerWaalsContact O-N 3.07Å; Y95-M107 HydrophobicContact CE1-CE 4.26Å; Y95-M107 HydrophobicContact CE2-CB 4.46Å; Y95-M107 HydrophobicContact CE2-SD 4.13Å; Y95-M107 WeakPolarHBondContact OH-CB 2.95Å; Y95-L115 HydrophobicContact CD1-CD2 4.23Å; Y95-L115 HydrophobicContact CD2-CD1 3.96Å; Y95-L115 HydrophobicContact CG-CD1 3.98Å; Y95-L115 HydrophobicContact CG-CD2 4.06Å
96Q92.7Very high91Very high122 Ų12262.6 Ų62.657%0.5729%0.293SS*.Hα-helixtrans-65.4-41.5173.1-76.9170.2-3.900111.8N92 T93 V94 Y98 I99 K100N92-Q96 WeakPolarHBondContact O-CB 3.31Å; N92-Q96 VanDerWaalsContact O-CG 3.25Å; N92-Q96 WeakPolarHBondContact O-CG 3.36Å; N92-Q96 PolarHBondContact O-N 2.91Å; T93-Q96 PolarHBondContact O-N 3.25Å; V94-Q96 VanDerWaalsContact C-N 3.33Å; V94-Q96 PolarHBondContact O-N 3.24Å; Q96-Y98 VanDerWaalsContact C-N 3.28Å; Q96-Y98 PolarHBondContact O-N 3.5Å; Q96-I99 PolarHBondContact O-N 3.26Å; Q96-K100 WeakPolarHBondContact O-CG 3.38Å; Q96-K100 PolarHBondContact O-N 3.35Å
97E93.8Very high91Very high50 Ų5059.7 Ų59.723%0.23427%0.274CS..Hα-helixtrans-62.1-37.9173.6-64.7-62.8139.600111.7I79 Q83 F84 T93 V94 K100I79-E97 HydrophobicContact CG2-CB 3.91Å; Q83-E97 VanDerWaalsContact OE1-CG 3.31Å; F84-E97 HydrophobicContact CZ-CG 4.47Å; T93-E97 WeakPolarHBondContact O-CG 3.29Å; T93-E97 PolarHBondContact O-N 2.89Å; V94-E97 WeakPolarHBondContact O-CB 3.46Å; V94-E97 PolarHBondContact O-N 3.4Å; E97-K100 WeakPolarHBondContact O-CB 3.41Å; E97-K100 PolarHBondContact O-N 3.32Å; E97-K100 VanDerWaalsContact OE1-CE 3.28Å; E97-K100 WeakPolarHBondContact OE1-CE 3.5Å; E97-K100 IonicContact OE1-NZ 2.7Å; E97-K100 PolarHBondContact OE1-NZ 3.33Å; E97-K100 WeakPolarHBondContact OE2-CD 3.37Å; E97-K100 WeakPolarHBondContact OE2-CE 3.42Å; E97-K100 IonicContact OE2-NZ 2.63Å; E97-K100 PolarHBondContact OE2-NZ 3.12Å
98Y93Very high90.7Very high5 Ų558 Ų582%0.0227%0.272CS..Hα-helixtrans-61.3-46.2175.1177.7-98.8000113.2F72 V75 I79 V94 Y95 Q96 K100 D101 H104 I105F72-Y98 AromaticContact CD2-CE1 3.64Å; F72-Y98 HydrophobicContact CD2-CE1 3.64Å; F72-Y98 HydrophobicContact CD2-CE2 4.3Å; F72-Y98 AromaticContact CD2-CZ 3.49Å; F72-Y98 VanDerWaalsContact CD2-CZ 3.49Å; F72-Y98 VanDerWaalsContact CD2-OH 3.31Å; F72-Y98 WeakPolarHBondContact CD2-OH 3.46Å; F72-Y98 HydrophobicContact CE2-CD1 4.03Å; F72-Y98 AromaticContact CE2-CE1 3.46Å; F72-Y98 HydrophobicContact CE2-CE1 3.46Å; F72-Y98 VanDerWaalsContact CE2-CE1 3.46Å; F72-Y98 AromaticContact CE2-CZ 3.78Å; V75-Y98 HydrophobicContact CB-CD2 4.42Å; V75-Y98 HydrophobicContact CB-CE2 3.86Å; V75-Y98 HydrophobicContact CG1-CD2 3.83Å; V75-Y98 HydrophobicContact CG1-CE2 3.57Å; I79-Y98 HydrophobicContact CD1-CD2 3.94Å; I79-Y98 HydrophobicContact CD1-CG 4.43Å; V94-Y98 PolarHBondContact O-N 2.98Å; Y95-Y98 HydrophobicContact CD2-CD1 4.19Å; Y95-Y98 HydrophobicContact CE2-CD1 4.05Å; Y95-Y98 WeakPolarHBondContact O-CB 3.4Å; Y95-Y98 PolarHBondContact O-N 2.7Å; Q96-Y98 VanDerWaalsContact C-N 3.28Å; Q96-Y98 PolarHBondContact O-N 3.5Å; Y98-K100 PolarHBondContact O-N 2.8Å; Y98-D101 PolarHBondContact O-N 2.94Å; Y98-H104 HydrophobicContact CD1-CB 4.23Å; Y98-H104 HydrophobicContact CE1-CB 3.69Å; Y98-H104 AromaticContact CE1-CD2 3.72Å; Y98-H104 HydrophobicContact CE2-CB 4.38Å; Y98-I105 WeakPolarHBondContact CE1-O 3.03Å; Y98-I105 WeakPolarHBondContact OH-CB 3.42Å; Y98-I105 PolarHBondContact OH-N 2.89Å; Y98-I105 PolarHBondContact OH-O 3.31Å
99I90.5Very high90.4Very high33 Ų3353.3 Ų53.317%0.16926%0.259CS..Hα-helixtrans-71.3-12.5-177.8-66.6161.9000112.8L21 L24 Y95 Q96 D101L21-I99 HydrophobicContact CD2-CG2 3.92Å; L24-I99 HydrophobicContact CD1-CG2 4.26Å; Y95-I99 HydrophobicContact CD1-CD1 3.55Å; Y95-I99 HydrophobicContact CD2-CD1 4.46Å; Y95-I99 HydrophobicContact CE1-CD1 3.12Å; Y95-I99 HydrophobicContact CE1-CG1 4.15Å; Y95-I99 HydrophobicContact CE2-CD1 4.11Å; Y95-I99 HydrophobicContact CE2-CG1 4.29Å; Y95-I99 HydrophobicContact CG-CD1 4.2Å; Y95-I99 VanDerWaalsContact CZ-CD1 3.43Å; Y95-I99 WeakPolarHBondContact O-CG1 3.48Å; Y95-I99 PolarHBondContact O-N 2.95Å; Y95-I99 VanDerWaalsContact O-N 3.07Å; Q96-I99 PolarHBondContact O-N 3.26Å; I99-D101 PolarHBondContact O-N 3.06Å
100K87.5Confident90.2Very high133 Ų13352.9 Ų52.958%0.57826%0.256SS*.THydrogen-bonded Turntrans-62-31.2176.9-71.6-179.5-175.2175.90112.5Q96 E97 Y98Q96-K100 WeakPolarHBondContact O-CG 3.38Å; Q96-K100 PolarHBondContact O-N 3.35Å; E97-K100 WeakPolarHBondContact O-CB 3.41Å; E97-K100 PolarHBondContact O-N 3.32Å; E97-K100 VanDerWaalsContact OE1-CE 3.28Å; E97-K100 WeakPolarHBondContact OE1-CE 3.5Å; E97-K100 IonicContact OE1-NZ 2.7Å; E97-K100 PolarHBondContact OE1-NZ 3.33Å; E97-K100 WeakPolarHBondContact OE2-CD 3.37Å; E97-K100 WeakPolarHBondContact OE2-CE 3.42Å; E97-K100 IonicContact OE2-NZ 2.63Å; E97-K100 PolarHBondContact OE2-NZ 3.12Å; Y98-K100 PolarHBondContact O-N 2.8Å
101D86.3Confident90Very high89 Ų8953.2 Ų53.248%0.47627%0.266SS..SBendtrans-69.7137.2173.8-169.3-5.2000109.9Y98 I99 H103 H104Y98-D101 PolarHBondContact O-N 2.94Å; I99-D101 PolarHBondContact O-N 3.06Å; D101-H103 VanDerWaalsContact C-N 3.29Å; D101-H103 PolarHBondContact O-N 3.35Å; D101-H103 PolarHBondContact OD1-N 2.96Å; D101-H103 VanDerWaalsContact OD1-N 3.15Å; D101-H103 IonicContact OD1-ND1 3.04Å; D101-H104 HydrophobicContact CB-CB 4.45Å; D101-H104 PolarHBondContact O-ND1 2.96Å
102R80.1Confident89.8Confident92 Ų9254.2 Ų54.235%0.34727%0.27SS..THydrogen-bonded Turntrans-70.4-28.2177.9-177.3-179.3178.8-164.9-0.7112.4
103H83.1Confident89.4Confident118 Ų11859 Ų5955%0.54628%0.283SS..THydrogen-bonded Turntrans-103.419-174.6-51.194.4000112.3D101D101-H103 VanDerWaalsContact C-N 3.29Å; D101-H103 PolarHBondContact O-N 3.35Å; D101-H103 PolarHBondContact OD1-N 2.96Å; D101-H103 VanDerWaalsContact OD1-N 3.15Å; D101-H103 IonicContact OD1-ND1 3.04Å
104H89.1Confident89.3Confident11 Ų1159 Ų595%0.05128%0.283CS..PPolyproline II helixtrans-62.3152.6174.474.6-88.5000111.1Y98 D101 H106Y98-H104 HydrophobicContact CD1-CB 4.23Å; Y98-H104 HydrophobicContact CE1-CB 3.69Å; Y98-H104 AromaticContact CE1-CD2 3.72Å; Y98-H104 HydrophobicContact CE2-CB 4.38Å; D101-H104 HydrophobicContact CB-CB 4.45Å; D101-H104 PolarHBondContact O-ND1 2.96Å; H104-H106 PolarHBondContact O-N 3.38Å
105I91.2Very high89.2Confident4 Ų459.8 Ų59.82%0.02129%0.287CS..PPolyproline II helixtrans-78.4123.5175.1-57.7-175.4000108.3F68 E71 F72 Y98 M107 T110F68-I105 HydrophobicContact CB-CD1 4.32Å; F68-I105 HydrophobicContact CB-CG2 4.01Å; F68-I105 HydrophobicContact CD1-CD1 4.14Å; F68-I105 HydrophobicContact CG-CG2 4.49Å; F68-I105 WeakPolarHBondContact O-CD1 3.45Å; E71-I105 HydrophobicContact CB-CD1 3.52Å; E71-I105 HydrophobicContact CG-CD1 3.57Å; E71-I105 WeakPolarHBondContact OE2-CD1 3.45Å; F72-I105 HydrophobicContact CB-CB 4.46Å; Y98-I105 WeakPolarHBondContact CE1-O 3.03Å; Y98-I105 WeakPolarHBondContact OH-CB 3.42Å; Y98-I105 PolarHBondContact OH-N 2.89Å; Y98-I105 PolarHBondContact OH-O 3.31Å; I105-M107 PolarHBondContact O-N 3.07Å; I105-T110 HydrophobicContact CG2-CG2 3.98Å
106H88.5Confident89.2Confident46 Ų4661 Ų6121%0.21330%0.298CS..PPolyproline II helixtrans-66.8132.9176.8-168-84.4000110.5H104 N108 S109H104-H106 PolarHBondContact O-N 3.38Å; H106-N108 VanDerWaalsContact C-N 3.26Å; H106-N108 PolarHBondContact CE1-ND2 3.12Å; H106-N108 WeakPolarHBondContact ND1-CB 3.46Å; H106-N108 PolarHBondContact ND1-N 2.92Å; H106-N108 PolarHBondContact O-N 2.77Å; H106-N108 VanDerWaalsContact O-N 3.14Å; H106-S109 VanDerWaalsContact O-CB 3.29Å; H106-S109 WeakPolarHBondContact O-CB 3.19Å; H106-S109 PolarHBondContact O-N 3.49Å; H106-S109 PolarHBondContact O-OG 3.22Å
107M88.8Confident89.2Confident21 Ų2156.3 Ų56.310%0.10328%0.282CS..G310 helixtrans-53-40-175.6-174.415963.400113.1Y95 I105 S109 T110 W112 T114 L115Y95-M107 HydrophobicContact CE1-CE 4.26Å; Y95-M107 HydrophobicContact CE2-CB 4.46Å; Y95-M107 HydrophobicContact CE2-SD 4.13Å; Y95-M107 WeakPolarHBondContact OH-CB 2.95Å; I105-M107 PolarHBondContact O-N 3.07Å; M107-S109 PolarHBondContact O-N 3.45Å; M107-T110 WeakPolarHBondContact O-CB 3.07Å; M107-T110 PolarHBondContact O-N 3.36Å; M107-T110 PolarHBondContact O-OG1 3.45Å; M107-W112 WeakPolarHBondContact CG-O 3.23Å; M107-W112 VanDerWaalsContact O-O 3.04Å; M107-T114 VanDerWaalsContact SD-C 3.55Å; M107-L115 HydrophobicContact CE-CB 4.13Å; M107-L115 VanDerWaalsContact SD-CA 3.59Å; M107-L115 HydrophobicContact SD-CB 3.97Å; M107-L115 PolarHBondContact SD-N 3.29Å
108N86.4Confident89.2Confident117 Ų11753.9 Ų53.963%0.62627%0.271SS*.G310 helixtrans-59.5-15.8175.6-58.92.9000114.9H106H106-N108 VanDerWaalsContact C-N 3.26Å; H106-N108 PolarHBondContact CE1-ND2 3.12Å; H106-N108 WeakPolarHBondContact ND1-CB 3.46Å; H106-N108 PolarHBondContact ND1-N 2.92Å; H106-N108 PolarHBondContact O-N 2.77Å; H106-N108 VanDerWaalsContact O-N 3.14Å
109S86.6Confident89.3Confident27 Ų2753.7 Ų53.719%0.18927%0.27CS..G310 helixtrans-89.5-5.5177.9-41.10000112.9Q29 H106 M107Q29-S109 WeakPolarHBondContact CB-OG 3.2Å; Q29-S109 WeakPolarHBondContact CG-OG 3.44Å; H106-S109 VanDerWaalsContact O-CB 3.29Å; H106-S109 WeakPolarHBondContact O-CB 3.19Å; H106-S109 PolarHBondContact O-N 3.49Å; H106-S109 PolarHBondContact O-OG 3.22Å; M107-S109 PolarHBondContact O-N 3.45Å
110T89.5Confident89.5Confident10 Ų1054.7 Ų54.76%0.06128%0.276CS..SBendtrans-98.5174.9178.272.40000110.6S69 F72 I105 M107 W112S69-T110 WeakPolarHBondContact OG-CA 3.25Å; F72-T110 HydrophobicContact CB-CG2 3.66Å; F72-T110 HydrophobicContact CD1-CG2 4.3Å; F72-T110 HydrophobicContact CD2-CG2 4.15Å; F72-T110 HydrophobicContact CG-CG2 3.78Å; I105-T110 HydrophobicContact CG2-CG2 3.98Å; M107-T110 WeakPolarHBondContact O-CB 3.07Å; M107-T110 PolarHBondContact O-N 3.36Å; M107-T110 PolarHBondContact O-OG1 3.45Å; T110-W112 PolarHBondContact O-N 3.09Å; T110-W112 PolarHBondContact OG1-N 2.97Å; T110-W112 VanDerWaalsContact OG1-N 3.14Å; T110-W112 PolarHBondContact OG1-O 2.89Å
111C90.6Very high89.8Confident74 Ų7452.1 Ų52.150%0.526%0.263SS..SBendtrans-68-9.917161.90000113.5S69S69-C111 PolarHBondContact OG-N 3.09Å; S69-C111 PolarHBondContact OG-SG 2.88Å; S69-C111 VanDerWaalsContact OG-SG 3.4Å
112W91.4Very high90.2Very high22 Ų2247.9 Ų47.98%0.08324%0.241CC..  trans-106.6108.2178.1-50.3-72.7000111.2S69 F72 Q73 M107 T110 T114 F118 Y121S69-W112 WeakPolarHBondContact O-CZ3 3.35Å; F72-W112 AromaticContact CD1-CE3 3.95Å; F72-W112 HydrophobicContact CD1-CE3 3.95Å; F72-W112 AromaticContact CD1-CZ3 3.85Å; F72-W112 HydrophobicContact CD1-CZ3 3.85Å; F72-W112 HydrophobicContact CE1-CE3 4.26Å; Q73-W112 HydrophobicContact CB-CH2 4.24Å; Q73-W112 HydrophobicContact CB-CZ3 4.46Å; M107-W112 WeakPolarHBondContact CG-O 3.23Å; M107-W112 VanDerWaalsContact O-O 3.04Å; T110-W112 PolarHBondContact O-N 3.09Å; T110-W112 PolarHBondContact OG1-N 2.97Å; T110-W112 VanDerWaalsContact OG1-N 3.14Å; T110-W112 PolarHBondContact OG1-O 2.89Å; W112-T114 VanDerWaalsContact C-N 3.31Å; W112-T114 PolarHBondContact O-N 3.01Å; W112-F118 HydrophobicContact CB-CB 3.87Å; W112-F118 HydrophobicContact CD2-CB 4.13Å; W112-F118 AromaticContact CD2-CD2 3.47Å; W112-F118 HydrophobicContact CD2-CD2 3.47Å; W112-F118 VanDerWaalsContact CD2-CD2 3.47Å; W112-F118 HydrophobicContact CD2-CE2 4.31Å; W112-F118 HydrophobicContact CD2-CG 4.22Å; W112-F118 AromaticContact CE2-CD2 3.68Å; W112-F118 AromaticContact CE3-CD2 3.51Å; W112-F118 HydrophobicContact CE3-CD2 3.51Å; W112-F118 HydrophobicContact CE3-CE2 4.01Å; W112-F118 HydrophobicContact CE3-CG 4.33Å; W112-F118 HydrophobicContact CG-CB 3.79Å; W112-F118 HydrophobicContact CG-CD2 4.05Å; W112-F118 HydrophobicContact CG-CG 4.39Å; W112-F118 AromaticContact CH2-CD2 3.99Å; W112-F118 HydrophobicContact CH2-CD2 3.99Å; W112-F118 AromaticContact CH2-CE2 3.88Å; W112-F118 HydrophobicContact CH2-CE2 3.88Å; W112-F118 AromaticContact CZ2-CD2 3.97Å; W112-F118 HydrophobicContact CZ2-CD2 3.97Å; W112-F118 HydrophobicContact CZ2-CE2 4.19Å; W112-F118 AromaticContact CZ3-CD2 3.77Å; W112-F118 HydrophobicContact CZ3-CD2 3.77Å; W112-F118 AromaticContact CZ3-CE2 3.78Å; W112-F118 HydrophobicContact CZ3-CE2 3.78Å; W112-Y121 AromaticContact CE2-CD1 3.81Å; W112-Y121 AromaticContact CE2-CG 3.97Å; W112-Y121 HydrophobicContact CH2-CD1 4.33Å; W112-Y121 HydrophobicContact CH2-CE1 4.07Å; W112-Y121 AromaticContact CZ2-CD1 3.4Å; W112-Y121 HydrophobicContact CZ2-CD1 3.4Å; W112-Y121 VanDerWaalsContact CZ2-CD1 3.4Å; W112-Y121 HydrophobicContact CZ2-CD2 4.35Å; W112-Y121 AromaticContact CZ2-CE1 3.38Å; W112-Y121 HydrophobicContact CZ2-CE1 3.38Å; W112-Y121 HydrophobicContact CZ2-CE2 4.33Å; W112-Y121 AromaticContact CZ2-CG 3.91Å; W112-Y121 HydrophobicContact CZ2-CG 3.91Å; W112-Y121 AromaticContact CZ2-CZ 3.86Å; W112-Y121 AromaticContact NE1-CD1 3.86Å; W112-Y121 AromaticContact NE1-CG 3.54Å
113Y86.4Confident90.8Very high180 Ų18045 Ų4571%0.70624%0.24SC*.SBendtrans-76.8-16.7178.458.6-84.4000113.5
114T92.3Very high91.3Very high54 Ų5449.9 Ų49.933%0.33125%0.253SS..SBendtrans-136.615017754.60000111.3M107 W112 T116 G117 F118M107-T114 VanDerWaalsContact SD-C 3.55Å; W112-T114 VanDerWaalsContact C-N 3.31Å; W112-T114 PolarHBondContact O-N 3.01Å; T114-T116 PolarHBondContact O-N 3.14Å; T114-G117 PolarHBondContact O-N 3.39Å; T114-G117 PolarHBondContact OG1-N 2.92Å; T114-F118 PolarHBondContact O-N 2.97Å; T114-F118 VanDerWaalsContact O-N 3.16Å
115L92Very high91.5Very high15 Ų1552.8 Ų52.88%0.07927%0.271CS..Hα-helixtrans-60.5-37176.3-176.666.1000111F76 A91 N92 Y95 M107 G117 F118 V119F76-L115 HydrophobicContact CE2-CD1 4.31Å; A91-L115 HydrophobicContact CB-CD2 4.24Å; N92-L115 WeakPolarHBondContact OD1-CD2 3.4Å; Y95-L115 HydrophobicContact CD1-CD2 4.23Å; Y95-L115 HydrophobicContact CD2-CD1 3.96Å; Y95-L115 HydrophobicContact CG-CD1 3.98Å; Y95-L115 HydrophobicContact CG-CD2 4.06Å; M107-L115 HydrophobicContact CE-CB 4.13Å; M107-L115 VanDerWaalsContact SD-CA 3.59Å; M107-L115 HydrophobicContact SD-CB 3.97Å; M107-L115 PolarHBondContact SD-N 3.29Å; L115-G117 VanDerWaalsContact C-N 3.33Å; L115-G117 PolarHBondContact O-N 3.07Å; L115-F118 HydrophobicContact CD1-CD1 4.23Å; L115-F118 PolarHBondContact O-N 3.28Å; L115-V119 HydrophobicContact CD1-CG2 4.39Å; L115-V119 HydrophobicContact CG-CG2 4.24Å; L115-V119 WeakPolarHBondContact O-CB 3.41Å; L115-V119 VanDerWaalsContact O-CG2 3.26Å; L115-V119 WeakPolarHBondContact O-CG2 3.26Å; L115-V119 PolarHBondContact O-N 2.9Å
116T93Very high91.5Very high58 Ų5853.8 Ų53.836%0.35628%0.283SS..Hα-helixtrans-57.3-44.6173.9-56.60000112.1T114 F118 V119 N120 W137T114-T116 PolarHBondContact O-N 3.14Å; T116-F118 VanDerWaalsContact C-N 3.35Å; T116-V119 PolarHBondContact O-N 2.94Å; T116-N120 WeakPolarHBondContact O-CB 3.19Å; T116-N120 VanDerWaalsContact O-CG 3.32Å; T116-N120 PolarHBondContact O-N 3.37Å; T116-N120 PolarHBondContact O-ND2 3.16Å; T116-W137 HydrophobicContact CG2-CZ2 3.76Å; T116-W137 VanDerWaalsContact CG2-NE1 3.35Å
117G93Very high91.7Very high23 Ų2353.1 Ų53.124%0.23728%0.281CS..Hα-helixtrans-61.5-42.9176.500000112.3T114 L115 Y121T114-G117 PolarHBondContact O-N 3.39Å; T114-G117 PolarHBondContact OG1-N 2.92Å; L115-G117 VanDerWaalsContact C-N 3.33Å; L115-G117 PolarHBondContact O-N 3.07Å; G117-Y121 PolarHBondContact O-N 3.41Å
118F94.8Very high91.8Very high0 Ų052.2 Ų52.20%028%0.277CS..Hα-helixtrans-65-44.5176176.7-119.9000112.8F72 Q73 F76 W112 T114 L115 T116 N120 Y121 L122F72-F118 HydrophobicContact CD1-CD2 4.43Å; F72-F118 HydrophobicContact CD1-CE1 4.47Å; F72-F118 HydrophobicContact CD1-CE2 4.11Å; F72-F118 HydrophobicContact CD1-CZ 4.13Å; F72-F118 AromaticContact CE1-CD1 3.72Å; F72-F118 HydrophobicContact CE1-CD1 3.72Å; F72-F118 AromaticContact CE1-CD2 3.96Å; F72-F118 HydrophobicContact CE1-CD2 3.96Å; F72-F118 AromaticContact CE1-CE1 3.65Å; F72-F118 HydrophobicContact CE1-CE1 3.65Å; F72-F118 AromaticContact CE1-CE2 3.9Å; F72-F118 HydrophobicContact CE1-CE2 3.9Å; F72-F118 AromaticContact CE1-CG 3.86Å; F72-F118 HydrophobicContact CE1-CG 3.86Å; F72-F118 AromaticContact CE1-CZ 3.74Å; F72-F118 HydrophobicContact CE1-CZ 3.74Å; F72-F118 HydrophobicContact CZ-CD1 4.34Å; F72-F118 HydrophobicContact CZ-CE1 4.38Å; Q73-F118 HydrophobicContact CB-CE2 4.27Å; Q73-F118 HydrophobicContact CB-CZ 4.49Å; Q73-F118 HydrophobicContact CG-CE2 4.32Å; Q73-F118 HydrophobicContact CG-CZ 4.46Å; F76-F118 HydrophobicContact CB-CE1 4.25Å; F76-F118 HydrophobicContact CB-CZ 4.29Å; F76-F118 AromaticContact CD1-CE1 3.54Å; F76-F118 HydrophobicContact CD1-CE1 3.54Å; F76-F118 HydrophobicContact CD1-CZ 4.05Å; F76-F118 HydrophobicContact CD2-CE1 4.02Å; F76-F118 AromaticContact CE1-CE1 3.78Å; F76-F118 HydrophobicContact CE1-CE1 3.78Å; F76-F118 HydrophobicContact CE2-CE1 4.23Å; F76-F118 AromaticContact CG-CE1 3.66Å; F76-F118 HydrophobicContact CG-CE1 3.66Å; F76-F118 HydrophobicContact CG-CZ 4.16Å; F76-F118 HydrophobicContact CZ-CE1 4.12Å; W112-F118 HydrophobicContact CB-CB 3.87Å; W112-F118 HydrophobicContact CD2-CB 4.13Å; W112-F118 AromaticContact CD2-CD2 3.47Å; W112-F118 HydrophobicContact CD2-CD2 3.47Å; W112-F118 VanDerWaalsContact CD2-CD2 3.47Å; W112-F118 HydrophobicContact CD2-CE2 4.31Å; W112-F118 HydrophobicContact CD2-CG 4.22Å; W112-F118 AromaticContact CE2-CD2 3.68Å; W112-F118 AromaticContact CE3-CD2 3.51Å; W112-F118 HydrophobicContact CE3-CD2 3.51Å; W112-F118 HydrophobicContact CE3-CE2 4.01Å; W112-F118 HydrophobicContact CE3-CG 4.33Å; W112-F118 HydrophobicContact CG-CB 3.79Å; W112-F118 HydrophobicContact CG-CD2 4.05Å; W112-F118 HydrophobicContact CG-CG 4.39Å; W112-F118 AromaticContact CH2-CD2 3.99Å; W112-F118 HydrophobicContact CH2-CD2 3.99Å; W112-F118 AromaticContact CH2-CE2 3.88Å; W112-F118 HydrophobicContact CH2-CE2 3.88Å; W112-F118 AromaticContact CZ2-CD2 3.97Å; W112-F118 HydrophobicContact CZ2-CD2 3.97Å; W112-F118 HydrophobicContact CZ2-CE2 4.19Å; W112-F118 AromaticContact CZ3-CD2 3.77Å; W112-F118 HydrophobicContact CZ3-CD2 3.77Å; W112-F118 AromaticContact CZ3-CE2 3.78Å; W112-F118 HydrophobicContact CZ3-CE2 3.78Å; T114-F118 PolarHBondContact O-N 2.97Å; T114-F118 VanDerWaalsContact O-N 3.16Å; L115-F118 HydrophobicContact CD1-CD1 4.23Å; L115-F118 PolarHBondContact O-N 3.28Å; T116-F118 VanDerWaalsContact C-N 3.35Å; F118-N120 PolarHBondContact O-N 2.95Å; F118-Y121 HydrophobicContact CD2-CD1 4.37Å; F118-Y121 HydrophobicContact CE2-CD1 4.48Å; F118-Y121 WeakPolarHBondContact O-CB 3.43Å; F118-Y121 PolarHBondContact O-N 3.02Å; F118-Y121 VanDerWaalsContact O-N 3.14Å; F118-L122 HydrophobicContact CD1-CD1 4.2Å; F118-L122 HydrophobicContact CD2-CG 4.48Å; F118-L122 HydrophobicContact CE1-CD1 3.67Å; F118-L122 HydrophobicContact CE1-CG 4.26Å; F118-L122 HydrophobicContact CE2-CD1 4.38Å; F118-L122 HydrophobicContact CE2-CD2 4.02Å; F118-L122 HydrophobicContact CE2-CG 4.1Å; F118-L122 HydrophobicContact CZ-CD1 3.78Å; F118-L122 HydrophobicContact CZ-CD2 3.95Å; F118-L122 HydrophobicContact CZ-CG 3.99Å; F118-L122 PolarHBondContact O-N 3.43Å
119V94.8Very high92.2Very high1 Ų152.5 Ų52.51%0.00627%0.272CS..Hα-helixtrans-62-43.9178.2169.10000111A91 L115 T116 Y121 L122 G123 V130 W137 I139A91-V119 HydrophobicContact CB-CG2 3.63Å; L115-V119 HydrophobicContact CD1-CG2 4.39Å; L115-V119 HydrophobicContact CG-CG2 4.24Å; L115-V119 WeakPolarHBondContact O-CB 3.41Å; L115-V119 VanDerWaalsContact O-CG2 3.26Å; L115-V119 WeakPolarHBondContact O-CG2 3.26Å; L115-V119 PolarHBondContact O-N 2.9Å; T116-V119 PolarHBondContact O-N 2.94Å; V119-Y121 VanDerWaalsContact C-N 3.29Å; V119-Y121 PolarHBondContact O-N 2.96Å; V119-L122 PolarHBondContact O-N 3.27Å; V119-G123 PolarHBondContact O-N 3.1Å; V119-G123 VanDerWaalsContact O-N 3.13Å; V119-V130 HydrophobicContact CG1-CB 4.4Å; V119-V130 HydrophobicContact CG1-CG1 3.41Å; V119-V130 VanDerWaalsContact CG1-CG1 3.41Å; V119-V130 HydrophobicContact CG1-CG2 4.06Å; V119-V130 WeakPolarHBondContact O-CG2 3.41Å; V119-W137 HydrophobicContact CG1-CB 4.18Å; V119-W137 HydrophobicContact CG1-CD2 4.48Å; V119-W137 HydrophobicContact CG1-CE3 4.26Å; V119-W137 HydrophobicContact CG1-CG 4.48Å; V119-I139 HydrophobicContact CB-CG2 4.48Å; V119-I139 HydrophobicContact CG1-CG2 3.62Å; V119-I139 HydrophobicContact CG2-CG2 4.14Å
120N93.6Very high92.5Very high54 Ų5452.9 Ų52.929%0.28927%0.274SS..Hα-helixtrans-60.7-39.5174.3-74.6-31.7000112.2T116 F118 G123 R124 W137T116-N120 WeakPolarHBondContact O-CB 3.19Å; T116-N120 VanDerWaalsContact O-CG 3.32Å; T116-N120 PolarHBondContact O-N 3.37Å; T116-N120 PolarHBondContact O-ND2 3.16Å; F118-N120 PolarHBondContact O-N 2.95Å; N120-G123 PolarHBondContact O-N 3.38Å; N120-R124 WeakPolarHBondContact O-CG 3.23Å; N120-R124 PolarHBondContact O-N 2.94Å; N120-W137 VanDerWaalsContact OD1-CH2 3.3Å; N120-W137 WeakPolarHBondContact OD1-CH2 3.38Å; N120-W137 WeakPolarHBondContact OD1-CZ3 3.2Å
121Y94.6Very high92.8Very high79 Ų7955.5 Ų55.531%0.3129%0.287SS..Hα-helixtrans-61.1-46174.5166.8-95.6000111.9W112 G117 F118 V119 G123 R124 V125W112-Y121 AromaticContact CE2-CD1 3.81Å; W112-Y121 AromaticContact CE2-CG 3.97Å; W112-Y121 HydrophobicContact CH2-CD1 4.33Å; W112-Y121 HydrophobicContact CH2-CE1 4.07Å; W112-Y121 AromaticContact CZ2-CD1 3.4Å; W112-Y121 HydrophobicContact CZ2-CD1 3.4Å; W112-Y121 VanDerWaalsContact CZ2-CD1 3.4Å; W112-Y121 HydrophobicContact CZ2-CD2 4.35Å; W112-Y121 AromaticContact CZ2-CE1 3.38Å; W112-Y121 HydrophobicContact CZ2-CE1 3.38Å; W112-Y121 HydrophobicContact CZ2-CE2 4.33Å; W112-Y121 AromaticContact CZ2-CG 3.91Å; W112-Y121 HydrophobicContact CZ2-CG 3.91Å; W112-Y121 AromaticContact CZ2-CZ 3.86Å; W112-Y121 AromaticContact NE1-CD1 3.86Å; W112-Y121 AromaticContact NE1-CG 3.54Å; G117-Y121 PolarHBondContact O-N 3.41Å; F118-Y121 HydrophobicContact CD2-CD1 4.37Å; F118-Y121 HydrophobicContact CE2-CD1 4.48Å; F118-Y121 WeakPolarHBondContact O-CB 3.43Å; F118-Y121 PolarHBondContact O-N 3.02Å; F118-Y121 VanDerWaalsContact O-N 3.14Å; V119-Y121 VanDerWaalsContact C-N 3.29Å; V119-Y121 PolarHBondContact O-N 2.96Å; Y121-G123 PolarHBondContact O-N 3.31Å; Y121-R124 PolarHBondContact O-N 3.47Å; Y121-R124 VanDerWaalsContact O-N 3.08Å; Y121-V125 HydrophobicContact CD1-CG2 4.41Å; Y121-V125 HydrophobicContact CD2-CG2 3.96Å; Y121-V125 HydrophobicContact CE1-CG2 4Å; Y121-V125 HydrophobicContact CE2-CG2 3.5Å; Y121-V125 HydrophobicContact CG-CG2 4.4Å; Y121-V125 WeakPolarHBondContact O-CG2 3.48Å; Y121-V125 PolarHBondContact O-N 2.82Å
122L94.5Very high92.9Very high0 Ų059.5 Ų59.50%030%0.296CS..Hα-helixtrans-58.8-35.6176.9-67.7178.3000112.8F76 L77 F118 V119 G126 I127 C128F76-L122 HydrophobicContact CE1-CD1 4.31Å; L77-L122 HydrophobicContact CD2-CD2 4.31Å; F118-L122 HydrophobicContact CD1-CD1 4.2Å; F118-L122 HydrophobicContact CD2-CG 4.48Å; F118-L122 HydrophobicContact CE1-CD1 3.67Å; F118-L122 HydrophobicContact CE1-CG 4.26Å; F118-L122 HydrophobicContact CE2-CD1 4.38Å; F118-L122 HydrophobicContact CE2-CD2 4.02Å; F118-L122 HydrophobicContact CE2-CG 4.1Å; F118-L122 HydrophobicContact CZ-CD1 3.78Å; F118-L122 HydrophobicContact CZ-CD2 3.95Å; F118-L122 HydrophobicContact CZ-CG 3.99Å; F118-L122 PolarHBondContact O-N 3.43Å; V119-L122 PolarHBondContact O-N 3.27Å; L122-G126 PolarHBondContact O-N 3.44Å; L122-I127 HydrophobicContact CD2-CB 4.48Å; L122-I127 HydrophobicContact CD2-CD1 4.2Å; L122-I127 PolarHBondContact O-N 2.78Å; L122-I127 VanDerWaalsContact O-N 3.14Å; L122-C128 HydrophobicContact CB-CB 4.21Å; L122-C128 PolarHBondContact O-N 2.68Å
123G93.2Very high92.9Very high32 Ų3260.8 Ų60.833%0.3331%0.306SS..Hα-helixtrans-67.1-44.3173.300000112.8V119 N120 Y121 V125 G126V119-G123 PolarHBondContact O-N 3.1Å; V119-G123 VanDerWaalsContact O-N 3.13Å; N120-G123 PolarHBondContact O-N 3.38Å; Y121-G123 PolarHBondContact O-N 3.31Å; G123-V125 PolarHBondContact O-N 3.28Å; G123-G126 PolarHBondContact O-N 2.82Å
124R93.6Very high93Very high220 Ų22061.9 Ų61.983%0.8332%0.318SS*.Hα-helixtrans-64.5-38.7178.3-71.2177.7-170.7179.31.9113.2N120 Y121 G126N120-R124 WeakPolarHBondContact O-CG 3.23Å; N120-R124 PolarHBondContact O-N 2.94Å; Y121-R124 PolarHBondContact O-N 3.47Å; Y121-R124 VanDerWaalsContact O-N 3.08Å; R124-G126 PolarHBondContact O-N 3.23Å
125V93Very high92.8Very high71 Ų7167 Ų6743%0.4334%0.335SS..Hα-helixtrans-75.2-17.4177.8-176.30000111.5Y121 G123 I127Y121-V125 HydrophobicContact CD1-CG2 4.41Å; Y121-V125 HydrophobicContact CD2-CG2 3.96Å; Y121-V125 HydrophobicContact CE1-CG2 4Å; Y121-V125 HydrophobicContact CE2-CG2 3.5Å; Y121-V125 HydrophobicContact CG-CG2 4.4Å; Y121-V125 WeakPolarHBondContact O-CG2 3.48Å; Y121-V125 PolarHBondContact O-N 2.82Å; G123-V125 PolarHBondContact O-N 3.28Å; V125-I127 HydrophobicContact CB-CD1 4.19Å; V125-I127 HydrophobicContact CB-CG1 4.19Å; V125-I127 HydrophobicContact CG1-CD1 3.74Å; V125-I127 HydrophobicContact CG1-CG1 3.78Å
126G91.2Very high92.8Very high26 Ų2667.3 Ų67.327%0.26834%0.343SS..THydrogen-bonded Turntrans73.931.5-178.600000113.3L122 G123 R124L122-G126 PolarHBondContact O-N 3.44Å; G123-G126 PolarHBondContact O-N 2.82Å; R124-G126 PolarHBondContact O-N 3.23Å
127I91.7Very high92.9Very high31 Ų3167.5 Ų67.516%0.15934%0.337CS..SBendtrans-86.5-39.1172.6-60169.5000109.9L77 L122 V125 Y141 I142L77-I127 HydrophobicContact CD1-CD1 4.37Å; L77-I127 HydrophobicContact CD1-CG2 3.95Å; L77-I127 HydrophobicContact CD2-CG2 3.76Å; L122-I127 HydrophobicContact CD2-CB 4.48Å; L122-I127 HydrophobicContact CD2-CD1 4.2Å; L122-I127 PolarHBondContact O-N 2.78Å; L122-I127 VanDerWaalsContact O-N 3.14Å; V125-I127 HydrophobicContact CB-CD1 4.19Å; V125-I127 HydrophobicContact CB-CG1 4.19Å; V125-I127 HydrophobicContact CG1-CD1 3.74Å; V125-I127 HydrophobicContact CG1-CG1 3.78Å; I127-Y141 HydrophobicContact CG2-CD2 4.33Å; I127-Y141 HydrophobicContact CG2-CE2 4.03Å; I127-I142 WeakPolarHBondContact O-CB 3.42Å; I127-I142 PolarHBondContact O-N 3.34Å
128C92.5Very high93Very high3 Ų368.9 Ų68.92%0.0234%0.335CS..EExtended strand (participates in β ladder)trans-126.5144.7179-60.90000110.4L122 V130 Q140L122-C128 HydrophobicContact CB-CB 4.21Å; L122-C128 PolarHBondContact O-N 2.68Å; C128-V130 HydrophobicContact CB-CG2 4.47Å; C128-Q140 CarbonylContact C-O 3.56Å; C128-Q140 WeakPolarHBondContact CA-O 3.47Å; C128-Q140 WeakPolarHBondContact CB-O 3.36Å
129K93.1Very high93Very high122 Ų12268.9 Ų68.953%0.5334%0.335SS..EExtended strand (participates in β ladder)trans-77130.7161.8-58.6-175.5178.9178.90108.1I139 Q140 I142K129-I139 CarbonylContact O-C 3.53Å; K129-I139 WeakPolarHBondContact O-CA 3.44Å; K129-Q140 HydrophobicContact CB-CB 4.28Å; K129-Q140 PolarHBondContact N-O 2.98Å; K129-Q140 PolarHBondContact O-N 3.05Å; K129-I142 HydrophobicContact CG-CD1 3.68Å; K129-I142 HydrophobicContact CG-CG1 3.79Å
130V94.5Very high92.9Very high36 Ų3671.9 Ų71.922%0.21835%0.349CS..EExtended strand (participates in β ladder)trans-123123.6-172.5178.50000108.9V119 C128 W137 Y138 I139V119-V130 HydrophobicContact CG1-CB 4.4Å; V119-V130 HydrophobicContact CG1-CG1 3.41Å; V119-V130 VanDerWaalsContact CG1-CG1 3.41Å; V119-V130 HydrophobicContact CG1-CG2 4.06Å; V119-V130 WeakPolarHBondContact O-CG2 3.41Å; C128-V130 HydrophobicContact CB-CG2 4.47Å; V130-W137 HydrophobicContact CG1-CE3 3.67Å; V130-W137 HydrophobicContact CG1-CZ3 3.89Å; V130-Y138 WeakPolarHBondContact CA-O 3.31Å; V130-I139 HydrophobicContact CG2-CG2 4.32Å
131D94.2Very high93Very high65 Ų6571 Ų7135%0.34834%0.342SS..EExtended strand (participates in β ladder)trans-121.1142.4175.3-53.7-41.2000110.6R88 Y138R88-D131 IonicContact CZ-OD2 2.59Å; R88-D131 VanDerWaalsContact CZ-OD2 3.29Å; R88-D131 IonicContact NE-OD2 2.73Å; R88-D131 PolarHBondContact NE-OD2 3.31Å; R88-D131 VanDerWaalsContact NH2-CB 3.32Å; R88-D131 IonicContact NH2-OD2 3.83Å; R88-D131 PolarHBondContact NH2-OD2 3.39Å; D131-Y138 PolarHBondContact N-O 3.45Å; D131-Y138 PolarHBondContact O-N 3.49Å
132K92.9Very high92.7Very high158 Ų15869.4 Ų69.469%0.68734%0.339SS*.EExtended strand (participates in β ladder)trans-101.8126170.2-167.1-177.9178.8-172.80109.4W137K132-W137 HydrophobicContact CB-CD2 4.47Å; K132-W137 HydrophobicContact CB-CE3 3.96Å; K132-W137 HydrophobicContact CB-CH2 4.12Å; K132-W137 HydrophobicContact CB-CZ3 3.78Å; K132-W137 HydrophobicContact CD-CH2 3.91Å; K132-W137 HydrophobicContact CD-CZ2 3.85Å; K132-W137 HydrophobicContact CD-CZ3 4.42Å; K132-W137 HydrophobicContact CG-CD2 4.32Å; K132-W137 HydrophobicContact CG-CE3 4.3Å; K132-W137 HydrophobicContact CG-CH2 4.19Å; K132-W137 HydrophobicContact CG-CZ2 4.18Å; K132-W137 HydrophobicContact CG-CZ3 4.24Å
133T92.2Very high92.3Very high48 Ų4870.9 Ų70.929%0.29435%0.346SS..EExtended strand (participates in β ladder)trans-123.7170.3171.364.20000109.5K135 G136 Y138T133-K135 PolarHBondContact O-N 2.91Å; T133-G136 PolarHBondContact N-O 3.35Å; T133-G136 PolarHBondContact O-N 3.27Å; T133-G136 PolarHBondContact OG1-O 2.99Å; T133-Y138 HydrophobicContact CG2-CD2 4.01Å; T133-Y138 HydrophobicContact CG2-CE2 4.23Å; T133-Y138 WeakPolarHBondContact OG1-CD2 3.42Å; T133-Y138 WeakPolarHBondContact OG1-CE2 3.25Å
134E89.1Confident91.6Very high204 Ų20474.8 Ų74.895%0.95335%0.354SS*.THydrogen-bonded Turntrans-56.2-32.5175.4-62.7176.3-179.200112.9G136E134-G136 VanDerWaalsContact C-N 3.27Å; E134-G136 PolarHBondContact O-N 3.07Å
135K87.1Confident90.9Very high160 Ų16069 Ų6970%0.69634%0.337SS*.THydrogen-bonded Turntrans-79.8-6.5-179.7-64.5-177.2179.3178.70113.6K90 T133 Y138K90-K135 WeakPolarHBondContact CE-O 3.2Å; K90-K135 PolarHBondContact NZ-O 3.29Å; T133-K135 PolarHBondContact O-N 2.91Å; K135-Y138 HydrophobicContact CB-CE2 4.49Å
136G91.5Very high90.1Very high23 Ų2366.5 Ų66.524%0.23732%0.324CS..EExtended strand (participates in β ladder)trans125.2-163.9179.400000113.9T133 E134T133-G136 PolarHBondContact N-O 3.35Å; T133-G136 PolarHBondContact O-N 3.27Å; T133-G136 PolarHBondContact OG1-O 2.99Å; E134-G136 VanDerWaalsContact C-N 3.27Å; E134-G136 PolarHBondContact O-N 3.07Å
137W94.9Very high89.3Confident61 Ų6169.9 Ų69.923%0.23133%0.332CS..EExtended strand (participates in β ladder)trans-83.8129.5-178.7-65.297.1000111.9A91 T116 V119 N120 V130 K132A91-W137 HydrophobicContact CB-CB 4.27Å; A91-W137 PolarHBondContact N-O 3.46Å; T116-W137 HydrophobicContact CG2-CZ2 3.76Å; T116-W137 VanDerWaalsContact CG2-NE1 3.35Å; V119-W137 HydrophobicContact CG1-CB 4.18Å; V119-W137 HydrophobicContact CG1-CD2 4.48Å; V119-W137 HydrophobicContact CG1-CE3 4.26Å; V119-W137 HydrophobicContact CG1-CG 4.48Å; N120-W137 VanDerWaalsContact OD1-CH2 3.3Å; N120-W137 WeakPolarHBondContact OD1-CH2 3.38Å; N120-W137 WeakPolarHBondContact OD1-CZ3 3.2Å; V130-W137 HydrophobicContact CG1-CE3 3.67Å; V130-W137 HydrophobicContact CG1-CZ3 3.89Å; K132-W137 HydrophobicContact CB-CD2 4.47Å; K132-W137 HydrophobicContact CB-CE3 3.96Å; K132-W137 HydrophobicContact CB-CH2 4.12Å; K132-W137 HydrophobicContact CB-CZ3 3.78Å; K132-W137 HydrophobicContact CD-CH2 3.91Å; K132-W137 HydrophobicContact CD-CZ2 3.85Å; K132-W137 HydrophobicContact CD-CZ3 4.42Å; K132-W137 HydrophobicContact CG-CD2 4.32Å; K132-W137 HydrophobicContact CG-CE3 4.3Å; K132-W137 HydrophobicContact CG-CH2 4.19Å; K132-W137 HydrophobicContact CG-CZ2 4.18Å; K132-W137 HydrophobicContact CG-CZ3 4.24Å
138Y95.7Very high88.8Confident53 Ų5373.2 Ų73.221%0.20835%0.347CS..EExtended strand (participates in β ladder)trans-109.1140.1173.2-75.8-101.3000109.7R88 V89 K90 V130 D131 T133 K135R88-Y138 HydrophobicContact CG-CD1 4.06Å; R88-Y138 HydrophobicContact CG-CG 4.48Å; V89-Y138 CarbonylContact O-C 3.53Å; V89-Y138 WeakPolarHBondContact O-CA 3.47Å; K90-Y138 HydrophobicContact CB-CE1 4.25Å; V130-Y138 WeakPolarHBondContact CA-O 3.31Å; D131-Y138 PolarHBondContact N-O 3.45Å; D131-Y138 PolarHBondContact O-N 3.49Å; T133-Y138 HydrophobicContact CG2-CD2 4.01Å; T133-Y138 HydrophobicContact CG2-CE2 4.23Å; T133-Y138 WeakPolarHBondContact OG1-CD2 3.42Å; T133-Y138 WeakPolarHBondContact OG1-CE2 3.25Å; K135-Y138 HydrophobicContact CB-CE2 4.49Å
139I95Very high88.3Confident0 Ų080.2 Ų80.20%037%0.373CS..EExtended strand (participates in β ladder)trans-126.4142.6179.257.8176.1000109.9F76 L80 V89 A91 V94 V119 K129 V130F76-I139 HydrophobicContact CE1-CD1 3.78Å; F76-I139 HydrophobicContact CZ-CD1 3.91Å; L80-I139 HydrophobicContact CD1-CD1 3.99Å; L80-I139 HydrophobicContact CD1-CG1 4.27Å; L80-I139 HydrophobicContact CD2-CD1 4.26Å; V89-I139 PolarHBondContact N-O 3.34Å; V89-I139 PolarHBondContact O-N 3.2Å; A91-I139 HydrophobicContact CB-CD1 4.24Å; A91-I139 HydrophobicContact CB-CG1 4.38Å; A91-I139 HydrophobicContact CB-CG2 4.21Å; V94-I139 HydrophobicContact CB-CD1 4.43Å; V94-I139 HydrophobicContact CG2-CD1 4.06Å; V119-I139 HydrophobicContact CB-CG2 4.48Å; V119-I139 HydrophobicContact CG1-CG2 3.62Å; V119-I139 HydrophobicContact CG2-CG2 4.14Å; K129-I139 CarbonylContact O-C 3.53Å; K129-I139 WeakPolarHBondContact O-CA 3.44Å; V130-I139 HydrophobicContact CG2-CG2 4.32Å
140Q93.8Very high87.8Confident63 Ų6382.2 Ų82.229%0.29438%0.378SS..EExtended strand (participates in β ladder)trans-133.4124.3174.2-178.3-179.338.800108.5T86 C128 K129T86-Q140 WeakPolarHBondContact O-CG 3.44Å; T86-Q140 PolarHBondContact O-NE2 2.99Å; C128-Q140 CarbonylContact C-O 3.56Å; C128-Q140 WeakPolarHBondContact CA-O 3.47Å; C128-Q140 WeakPolarHBondContact CB-O 3.36Å; K129-Q140 HydrophobicContact CB-CB 4.28Å; K129-Q140 PolarHBondContact N-O 2.98Å; K129-Q140 PolarHBondContact O-N 3.05Å
141Y93.7Very high87.4Confident37 Ų3785.3 Ų85.315%0.14539%0.389CS..EExtended strand (participates in β ladder)trans-70.7134179.6-175.9-111.5000111.5L77 L80 G85 I127 D143L77-Y141 HydrophobicContact CD2-CD2 4.31Å; L77-Y141 HydrophobicContact CD2-CE2 4.33Å; L80-Y141 HydrophobicContact CD2-CD2 4.14Å; L80-Y141 HydrophobicContact CD2-CG 4.37Å; G85-Y141 WeakPolarHBondContact O-CB 3.19Å; I127-Y141 HydrophobicContact CG2-CD2 4.33Å; I127-Y141 HydrophobicContact CG2-CE2 4.03Å; Y141-D143 HydrophobicContact CD1-CB 3.99Å; Y141-D143 HydrophobicContact CE1-CB 3.75Å
142I89.6Confident87.1Confident45 Ų4588.8 Ų88.823%0.23140%0.401CS..  trans-95.4103.1172.3-56171.6000107.6I127 K129 K144I127-I142 WeakPolarHBondContact O-CB 3.42Å; I127-I142 PolarHBondContact O-N 3.34Å; K129-I142 HydrophobicContact CG-CD1 3.68Å; K129-I142 HydrophobicContact CG-CG1 3.79Å; I142-K144 HydrophobicContact CG2-CG 4.19Å; I142-K144 PolarHBondContact O-N 3.42Å; I142-K144 VanDerWaalsContact O-N 3.07Å
143D84.8Confident86.8Confident31 Ų3187.4 Ų87.417%0.16640%0.397CS..  trans-82.584.1176.6-166.2-13.4000110.7T86 Y141 E145 A146 E147T86-D143 HydrophobicContact CG2-CB 4.23Å; Y141-D143 HydrophobicContact CD1-CB 3.99Å; Y141-D143 HydrophobicContact CE1-CB 3.75Å; D143-E145 PolarHBondContact O-N 3.16Å; D143-E145 WeakPolarHBondContact OD1-CB 3.4Å; D143-E145 PolarHBondContact OD1-N 2.64Å; D143-A146 HydrophobicContact CB-CB 3.85Å; D143-A146 PolarHBondContact O-N 2.75Å; D143-A146 PolarHBondContact OD1-N 2.91Å; D143-A146 WeakPolarHBondContact OD2-CB 3.37Å; D143-E147 PolarHBondContact O-N 3.36Å
144K79.7Confident86.7Confident114 Ų11487.3 Ų87.350%0.49640%0.401SS..Hα-helixtrans-58.8-37.2175.7-60.6-174.4-179-176.70111.5I142 A146 E147 E148I142-K144 HydrophobicContact CG2-CG 4.19Å; I142-K144 PolarHBondContact O-N 3.42Å; I142-K144 VanDerWaalsContact O-N 3.07Å; K144-A146 PolarHBondContact O-N 2.98Å; K144-E147 PolarHBondContact O-N 3.42Å; K144-E148 WeakPolarHBondContact O-CB 3.34Å; K144-E148 WeakPolarHBondContact O-CG 3.37Å; K144-E148 PolarHBondContact O-N 3.04Å
145E77.7Confident86.7Confident98 Ų9884 Ų8446%0.45838%0.384SS..Hα-helixtrans-64.9-39.9177.8-63.6-179.9168.600111.5R81 D143 R149R81-E145 IonicContact CZ-OE2 3.43Å; R81-E145 IonicContact NH1-OE2 3.49Å; R81-E145 IonicContact NH2-OE2 2.8Å; R81-E145 PolarHBondContact NH2-OE2 2.98Å; D143-E145 PolarHBondContact O-N 3.16Å; D143-E145 WeakPolarHBondContact OD1-CB 3.4Å; D143-E145 PolarHBondContact OD1-N 2.64Å; E145-R149 WeakPolarHBondContact O-CB 3.44Å; E145-R149 PolarHBondContact O-N 3.34Å
146A77Confident86.7Confident19 Ų1982.6 Ų82.616%0.15738%0.378CS..Hα-helixtrans-71.5-30.7176.200000112.7D143 K144 R150D143-A146 HydrophobicContact CB-CB 3.85Å; D143-A146 PolarHBondContact O-N 2.75Å; D143-A146 PolarHBondContact OD1-N 2.91Å; D143-A146 WeakPolarHBondContact OD2-CB 3.37Å; K144-A146 PolarHBondContact O-N 2.98Å; A146-R150 WeakPolarHBondContact O-CB 3.42Å; A146-R150 VanDerWaalsContact O-CG 3.25Å; A146-R150 WeakPolarHBondContact O-CG 3.49Å; A146-R150 PolarHBondContact O-N 2.84Å; A146-R150 VanDerWaalsContact O-N 3.08Å; A146-R150 PolarHBondContact O-NE 2.97Å
147E75.4Confident86.6Confident97 Ų9785.1 Ų85.145%0.45339%0.388SS..Hα-helixtrans-67.6-51.2171.3-168.6165.1-148.500110.9D143 K144 R149 R150 E151D143-E147 PolarHBondContact O-N 3.36Å; K144-E147 PolarHBondContact O-N 3.42Å; E147-R149 VanDerWaalsContact C-N 3.31Å; E147-R149 PolarHBondContact O-N 3.04Å; E147-R150 WeakPolarHBondContact O-CB 3.43Å; E147-R150 PolarHBondContact O-N 3.32Å; E147-R150 VanDerWaalsContact O-N 3.08Å; E147-E151 WeakPolarHBondContact O-CG 3.48Å; E147-E151 PolarHBondContact O-N 3.4Å
148E80Confident86.2Confident100 Ų10089.1 Ų89.147%0.46741%0.407SS..Hα-helixtrans-59.3-39174.8-73.9-179.4-16200112.7K144 E151 K152K144-E148 WeakPolarHBondContact O-CB 3.34Å; K144-E148 WeakPolarHBondContact O-CG 3.37Å; K144-E148 PolarHBondContact O-N 3.04Å; E148-E151 PolarHBondContact O-N 3.46Å; E148-K152 WeakPolarHBondContact O-CB 3.47Å; E148-K152 VanDerWaalsContact O-CG 3.27Å; E148-K152 WeakPolarHBondContact O-CG 3.49Å; E148-K152 PolarHBondContact O-N 3.4Å
149R83.1Confident85.6Confident150 Ų15092.2 Ų92.257%0.56643%0.425SS*.Hα-helixtrans-66-39.5176.5-166-172.9-53.9122.29111.1E145 E147 H153E145-R149 WeakPolarHBondContact O-CB 3.44Å; E145-R149 PolarHBondContact O-N 3.34Å; E147-R149 VanDerWaalsContact C-N 3.31Å; E147-R149 PolarHBondContact O-N 3.04Å; R149-H153 VanDerWaalsContact O-CB 3.28Å; R149-H153 WeakPolarHBondContact O-CB 3.31Å; R149-H153 PolarHBondContact O-N 3.24Å
150R82.5Confident85.2Confident165 Ų16595.4 Ų95.462%0.62344%0.442SS*.Hα-helixtrans-65.6-41.5174.4-79.6179.2-74.5166.90111.2A146 E147 H153 A154A146-R150 WeakPolarHBondContact O-CB 3.42Å; A146-R150 VanDerWaalsContact O-CG 3.25Å; A146-R150 WeakPolarHBondContact O-CG 3.49Å; A146-R150 PolarHBondContact O-N 2.84Å; A146-R150 VanDerWaalsContact O-N 3.08Å; A146-R150 PolarHBondContact O-NE 2.97Å; E147-R150 WeakPolarHBondContact O-CB 3.43Å; E147-R150 PolarHBondContact O-N 3.32Å; E147-R150 VanDerWaalsContact O-N 3.08Å; R150-H153 PolarHBondContact O-N 3.11Å; R150-A154 VanDerWaalsContact O-CB 3.28Å; R150-A154 WeakPolarHBondContact O-CB 3.46Å; R150-A154 PolarHBondContact O-N 3.19Å
151E85.9Confident84.6Confident100 Ų10098 Ų9847%0.46745%0.453SS..Hα-helixtrans-65.6-44.6175.3-72-175.7-17900112.6E147 E148 H153 A154 K155E147-E151 WeakPolarHBondContact O-CG 3.48Å; E147-E151 PolarHBondContact O-N 3.4Å; E148-E151 PolarHBondContact O-N 3.46Å; E151-H153 VanDerWaalsContact C-N 3.35Å; E151-A154 PolarHBondContact O-N 3.48Å; E151-K155 WeakPolarHBondContact O-CB 3.48Å; E151-K155 WeakPolarHBondContact O-CG 3.36Å; E151-K155 PolarHBondContact O-N 2.98Å
152K88Confident84.2Confident138 Ų138100.4 Ų100.460%0.647%0.468SS*.Hα-helixtrans-62-43.2175.8-75.7173.4-177.6170.10111.2E148 K155 K156E148-K152 WeakPolarHBondContact O-CB 3.47Å; E148-K152 VanDerWaalsContact O-CG 3.27Å; E148-K152 WeakPolarHBondContact O-CG 3.49Å; E148-K152 PolarHBondContact O-N 3.4Å; K152-K155 PolarHBondContact O-N 3.5Å; K152-K156 WeakPolarHBondContact O-CB 3.49Å; K152-K156 PolarHBondContact O-N 3.48Å
153H87.1Confident84Confident129 Ų129101.8 Ų101.860%0.59748%0.476SS*.Hα-helixtrans-63.3-43.9174.5-173.6-81.6000111.4R149 R150 E151 K155 K156 V157R149-H153 VanDerWaalsContact O-CB 3.28Å; R149-H153 WeakPolarHBondContact O-CB 3.31Å; R149-H153 PolarHBondContact O-N 3.24Å; R150-H153 PolarHBondContact O-N 3.11Å; E151-H153 VanDerWaalsContact C-N 3.35Å; H153-K155 PolarHBondContact O-N 3.44Å; H153-K156 PolarHBondContact O-N 2.94Å; H153-V157 VanDerWaalsContact O-CG2 3.29Å; H153-V157 WeakPolarHBondContact O-CG2 3.37Å; H153-V157 PolarHBondContact O-N 3.43Å
154A89.3Confident84Confident46 Ų46106.2 Ų106.238%0.3850%0.496SS..Hα-helixtrans-64.6-39.317700000112.5R150 E151 K158R150-A154 VanDerWaalsContact O-CB 3.28Å; R150-A154 WeakPolarHBondContact O-CB 3.46Å; R150-A154 PolarHBondContact O-N 3.19Å; E151-A154 PolarHBondContact O-N 3.48Å; A154-K158 VanDerWaalsContact O-CG 3.32Å; A154-K158 WeakPolarHBondContact O-CG 3.49Å; A154-K158 PolarHBondContact O-N 3.47Å
155K89.1Confident84.3Confident136 Ų136105.3 Ų105.359%0.59149%0.493SS*.Hα-helixtrans-64.3-43.1173.5-75.1177.1-176.5178.40111.3E151 K152 H153 K158 M159E151-K155 WeakPolarHBondContact O-CB 3.48Å; E151-K155 WeakPolarHBondContact O-CG 3.36Å; E151-K155 PolarHBondContact O-N 2.98Å; K152-K155 PolarHBondContact O-N 3.5Å; H153-K155 PolarHBondContact O-N 3.44Å; K155-K158 PolarHBondContact O-N 3.3Å; K155-M159 WeakPolarHBondContact O-CG 3.32Å; K155-M159 PolarHBondContact O-N 2.96Å
156K87.7Confident84.6Confident130 Ų130108 Ų10857%0.56550%0.499SS*.Hα-helixtrans-61-49.5175.6-172.9-178174.1-172.20111.2K152 H153 K158 M159 D160K152-K156 WeakPolarHBondContact O-CB 3.49Å; K152-K156 PolarHBondContact O-N 3.48Å; H153-K156 PolarHBondContact O-N 2.94Å; K156-K158 VanDerWaalsContact C-N 3.26Å; K156-K158 PolarHBondContact O-N 3.23Å; K156-M159 PolarHBondContact O-N 2.86Å; K156-M159 VanDerWaalsContact O-N 3.13Å; K156-D160 WeakPolarHBondContact O-CB 3.46Å; K156-D160 PolarHBondContact O-N 2.89Å
157V88.9Confident85.1Confident76 Ų76110.8 Ų110.846%0.46151%0.514SS..Hα-helixtrans-59.6-36.7177171.60000111.9H153 K161H153-V157 VanDerWaalsContact O-CG2 3.29Å; H153-V157 WeakPolarHBondContact O-CG2 3.37Å; H153-V157 PolarHBondContact O-N 3.43Å; V157-K161 WeakPolarHBondContact O-CB 3.43Å; V157-K161 PolarHBondContact O-N 3.48Å
158K86.3Confident85.7Confident144 Ų144112 Ų11263%0.62652%0.52SS*.Hα-helixtrans-66.7-45.5174-75.5179.6178.2-169.10112.3A154 K155 K156 K161 D162A154-K158 VanDerWaalsContact O-CG 3.32Å; A154-K158 WeakPolarHBondContact O-CG 3.49Å; A154-K158 PolarHBondContact O-N 3.47Å; K155-K158 PolarHBondContact O-N 3.3Å; K156-K158 VanDerWaalsContact C-N 3.26Å; K156-K158 PolarHBondContact O-N 3.23Å; K158-K161 PolarHBondContact O-N 3.27Å; K158-D162 VanDerWaalsContact O-CG 3.31Å; K158-D162 PolarHBondContact O-N 2.91Å
159M84Confident86Confident118 Ų118113.2 Ų113.258%0.58153%0.525SS*.Hα-helixtrans-63.6-43.3177-71.5179.664.400112.2K155 K156 K161 D162 D163K155-M159 WeakPolarHBondContact O-CG 3.32Å; K155-M159 PolarHBondContact O-N 2.96Å; K156-M159 PolarHBondContact O-N 2.86Å; K156-M159 VanDerWaalsContact O-N 3.13Å; M159-K161 VanDerWaalsContact C-N 3.25Å; M159-K161 PolarHBondContact O-N 3.32Å; M159-D162 PolarHBondContact O-N 2.63Å; M159-D163 PolarHBondContact O-N 3.33Å
160D85.6Confident86.1Confident68 Ų68112 Ų11236%0.36453%0.527SS..Hα-helixtrans-60.8-39.2177-66-13.9000109.8K156 D163 E164K156-D160 WeakPolarHBondContact O-CB 3.46Å; K156-D160 PolarHBondContact O-N 2.89Å; D160-D163 PolarHBondContact O-N 3.33Å; D160-E164 WeakPolarHBondContact O-CB 3.41Å; D160-E164 WeakPolarHBondContact O-CG 3.43Å; D160-E164 PolarHBondContact O-N 2.92Å
161K81Confident86.3Confident118 Ų118109.3 Ų109.351%0.51352%0.524SS..Hα-helixtrans-66.6-43.7174.7-166.8-179-179.7-162.90113V157 K158 M159 D163 E164 E165V157-K161 WeakPolarHBondContact O-CB 3.43Å; V157-K161 PolarHBondContact O-N 3.48Å; K158-K161 PolarHBondContact O-N 3.27Å; M159-K161 VanDerWaalsContact C-N 3.25Å; M159-K161 PolarHBondContact O-N 3.32Å; K161-D163 VanDerWaalsContact C-N 3.27Å; K161-D163 PolarHBondContact O-N 2.75Å; K161-E164 PolarHBondContact O-N 3.2Å; K161-E165 VanDerWaalsContact CE-OE1 3.23Å; K161-E165 WeakPolarHBondContact CE-OE1 3.42Å; K161-E165 IonicContact NZ-OE1 2.85Å; K161-E165 WeakPolarHBondContact O-CB 3.29Å; K161-E165 WeakPolarHBondContact O-CG 3.3Å; K161-E165 PolarHBondContact O-N 2.86Å
162D85.8Confident86.2Confident86 Ų86111.1 Ų111.146%0.4653%0.534SS..Hα-helixtrans-64-34177.2-66.5-14.1000111.5K158 M159 R166K158-D162 VanDerWaalsContact O-CG 3.31Å; K158-D162 PolarHBondContact O-N 2.91Å; M159-D162 PolarHBondContact O-N 2.63Å; D162-R166 WeakPolarHBondContact O-CB 3.49Å; D162-R166 WeakPolarHBondContact O-CG 3.41Å; D162-R166 PolarHBondContact O-N 2.86Å; D162-R166 VanDerWaalsContact O-N 3.07Å
163D85.8Confident86.2Confident75 Ų75111.5 Ų111.540%0.40153%0.532SS..Hα-helixtrans-72.8-43.1174.6-77.6-7000111.6M159 D160 K161 E165 R166 T167M159-D163 PolarHBondContact O-N 3.33Å; D160-D163 PolarHBondContact O-N 3.33Å; K161-D163 VanDerWaalsContact C-N 3.27Å; K161-D163 PolarHBondContact O-N 2.75Å; D163-E165 PolarHBondContact O-N 3.21Å; D163-R166 PolarHBondContact O-N 3.49Å; D163-R166 IonicContact OD1-CZ 2.84Å; D163-R166 IonicContact OD1-NE 3.7Å; D163-R166 IonicContact OD1-NH2 2.65Å; D163-R166 PolarHBondContact OD1-NH2 2.88Å; D163-T167 VanDerWaalsContact O-CG2 3.32Å; D163-T167 WeakPolarHBondContact O-CG2 3.29Å; D163-T167 PolarHBondContact O-N 3.44Å; D163-T167 PolarHBondContact O-OG1 2.88Å
164E84.5Confident86Confident124 Ų124111.2 Ų111.258%0.57953%0.531SS*.Hα-helixtrans-57.3-47.4172.3-77.7176.5-17800111.2D160 K161 R166 T167 Q168D160-E164 WeakPolarHBondContact O-CB 3.41Å; D160-E164 WeakPolarHBondContact O-CG 3.43Å; D160-E164 PolarHBondContact O-N 2.92Å; K161-E164 PolarHBondContact O-N 3.2Å; E164-R166 PolarHBondContact O-N 3.41Å; E164-T167 WeakPolarHBondContact CA-OG1 3.23Å; E164-T167 PolarHBondContact O-N 3.3Å; E164-T167 PolarHBondContact O-OG1 2.92Å; E164-Q168 WeakPolarHBondContact O-CB 3.23Å; E164-Q168 WeakPolarHBondContact O-CG 3.41Å; E164-Q168 PolarHBondContact O-N 3.39Å
165E85.7Confident85.8Confident95 Ų95111.5 Ų111.544%0.44453%0.534SS..Hα-helixtrans-61.1-42.4176.8-74.2179.6-173.400111.7K161 D163 T167 Q168 E169K161-E165 VanDerWaalsContact CE-OE1 3.23Å; K161-E165 WeakPolarHBondContact CE-OE1 3.42Å; K161-E165 IonicContact NZ-OE1 2.85Å; K161-E165 WeakPolarHBondContact O-CB 3.29Å; K161-E165 WeakPolarHBondContact O-CG 3.3Å; K161-E165 PolarHBondContact O-N 2.86Å; D163-E165 PolarHBondContact O-N 3.21Å; E165-T167 PolarHBondContact O-N 3.29Å; E165-Q168 PolarHBondContact O-N 3.27Å; E165-E169 PolarHBondContact O-N 3.06Å
166R83.8Confident85.5Confident155 Ų155111 Ų11159%0.58553%0.533SS*.Hα-helixtrans-64-39.5174.5-82.7-171.2-76.1-168-2.6113.1D162 D163 E164 M170D162-R166 WeakPolarHBondContact O-CB 3.49Å; D162-R166 WeakPolarHBondContact O-CG 3.41Å; D162-R166 PolarHBondContact O-N 2.86Å; D162-R166 VanDerWaalsContact O-N 3.07Å; D163-R166 PolarHBondContact O-N 3.49Å; D163-R166 IonicContact OD1-CZ 2.84Å; D163-R166 IonicContact OD1-NE 3.7Å; D163-R166 IonicContact OD1-NH2 2.65Å; D163-R166 PolarHBondContact OD1-NH2 2.88Å; E164-R166 PolarHBondContact O-N 3.41Å; R166-M170 PolarHBondContact O-N 2.88Å
167T87.9Confident85.2Confident77 Ų77112.4 Ų112.447%0.47254%0.535SS..Hα-helixtrans-68-39.9176.360.30000111.3D163 E164 E165 M170 I171D163-T167 VanDerWaalsContact O-CG2 3.32Å; D163-T167 WeakPolarHBondContact O-CG2 3.29Å; D163-T167 PolarHBondContact O-N 3.44Å; D163-T167 PolarHBondContact O-OG1 2.88Å; E164-T167 WeakPolarHBondContact CA-OG1 3.23Å; E164-T167 PolarHBondContact O-N 3.3Å; E164-T167 PolarHBondContact O-OG1 2.92Å; E165-T167 PolarHBondContact O-N 3.29Å; T167-M170 PolarHBondContact O-N 3.23Å; T167-I171 WeakPolarHBondContact O-CD1 3.48Å; T167-I171 VanDerWaalsContact O-CG1 3.23Å; T167-I171 WeakPolarHBondContact O-CG1 3.32Å; T167-I171 PolarHBondContact O-N 3.42Å
168Q86.7Confident84.8Confident122 Ų122111.2 Ų111.257%0.5753%0.533SS*.Hα-helixtrans-61.4-44.9174.5-75.4-178.5-34.600111.5E164 E165 M170 I171 M172E164-Q168 WeakPolarHBondContact O-CB 3.23Å; E164-Q168 WeakPolarHBondContact O-CG 3.41Å; E164-Q168 PolarHBondContact O-N 3.39Å; E165-Q168 PolarHBondContact O-N 3.27Å; Q168-M170 VanDerWaalsContact C-N 3.35Å; Q168-M170 PolarHBondContact O-N 3.13Å; Q168-I171 PolarHBondContact O-N 3.43Å; Q168-M172 WeakPolarHBondContact O-CB 3.45Å; Q168-M172 WeakPolarHBondContact O-CG 3.45Å; Q168-M172 PolarHBondContact O-N 3.44Å
169E86.4Confident84.5Confident126 Ų126109.5 Ų109.559%0.58953%0.53SS*.Hα-helixtrans-62.3-40.9176.8-167.5-175.6177.700111.9E165 M172 R173E165-E169 PolarHBondContact O-N 3.06Å; E169-M172 PolarHBondContact O-N 2.82Å; E169-R173 WeakPolarHBondContact O-CB 3.45Å; E169-R173 PolarHBondContact O-N 2.92Å
170M85.6Confident84.2Confident123 Ų123109.4 Ų109.461%0.60653%0.528SS*.Hα-helixtrans-65.1-41.7176.9-166.1-175.4-61.900112R166 T167 Q168 R173 Q174R166-M170 PolarHBondContact O-N 2.88Å; T167-M170 PolarHBondContact O-N 3.23Å; Q168-M170 VanDerWaalsContact C-N 3.35Å; Q168-M170 PolarHBondContact O-N 3.13Å; M170-R173 PolarHBondContact O-N 2.95Å; M170-Q174 WeakPolarHBondContact O-CG 3.34Å; M170-Q174 PolarHBondContact O-N 3.29Å
171I86.5Confident83.9Confident109 Ų109111.1 Ų111.156%0.55954%0.537SS*.Hα-helixtrans-63.8-45.4175.8-67.9164.7000110.2T167 Q168 R173 Q174 A175T167-I171 WeakPolarHBondContact O-CD1 3.48Å; T167-I171 VanDerWaalsContact O-CG1 3.23Å; T167-I171 WeakPolarHBondContact O-CG1 3.32Å; T167-I171 PolarHBondContact O-N 3.42Å; Q168-I171 PolarHBondContact O-N 3.43Å; I171-R173 VanDerWaalsContact C-N 3.34Å; I171-R173 PolarHBondContact O-N 2.89Å; I171-Q174 PolarHBondContact O-N 3.28Å; I171-A175 PolarHBondContact O-N 3.23Å
172M85Confident83.3Confident138 Ų138112.3 Ų112.368%0.6854%0.544SS*.Hα-helixtrans-60.2-43.4176.7-74.7-175.970.700111.8Q168 E169 Q174 A175 E176Q168-M172 WeakPolarHBondContact O-CB 3.45Å; Q168-M172 WeakPolarHBondContact O-CG 3.45Å; Q168-M172 PolarHBondContact O-N 3.44Å; E169-M172 PolarHBondContact O-N 2.82Å; M172-Q174 VanDerWaalsContact C-N 3.34Å; M172-Q174 PolarHBondContact O-N 3.25Å; M172-A175 PolarHBondContact O-N 3.42Å; M172-E176 WeakPolarHBondContact O-CB 3.48Å; M172-E176 PolarHBondContact O-N 3.06Å
173R86.6Confident82.6Confident147 Ų147118.1 Ų118.156%0.55556%0.56SS**Hα-helixtrans-66.3-34.6178.6-165.5175.1-167.3150.23.4113.1E169 M170 I171 R177E169-R173 WeakPolarHBondContact O-CB 3.45Å; E169-R173 PolarHBondContact O-N 2.92Å; M170-R173 PolarHBondContact O-N 2.95Å; I171-R173 VanDerWaalsContact C-N 3.34Å; I171-R173 PolarHBondContact O-N 2.89Å; R173-R177 WeakPolarHBondContact O-CG 3.36Å; R173-R177 PolarHBondContact O-N 2.88Å; R173-R177 VanDerWaalsContact O-N 3.1Å
174Q84.5Confident81.4Confident123 Ų123124.9 Ų124.958%0.57558%0.579SS**Hα-helixtrans-68.4-42.3172.7-73.9179.85.100111.3M170 I171 M172 R177 A178M170-Q174 WeakPolarHBondContact O-CG 3.34Å; M170-Q174 PolarHBondContact O-N 3.29Å; I171-Q174 PolarHBondContact O-N 3.28Å; M172-Q174 VanDerWaalsContact C-N 3.34Å; M172-Q174 PolarHBondContact O-N 3.25Å; Q174-R177 PolarHBondContact O-N 2.88Å; Q174-A178 WeakPolarHBondContact O-CB 3.44Å; Q174-A178 PolarHBondContact O-N 3.16Å
175A85.4Confident80.1Confident52 Ų52124.4 Ų124.443%0.4358%0.581SS.*Hα-helixtrans-62.9-42.3176.200000112I171 M172 A178 L179I171-A175 PolarHBondContact O-N 3.23Å; M172-A175 PolarHBondContact O-N 3.42Å; A175-A178 PolarHBondContact O-N 2.81Å; A175-L179 WeakPolarHBondContact O-CB 3.4Å; A175-L179 PolarHBondContact O-N 2.91Å
176E82.8Confident78Confident124 Ų124122.2 Ų122.258%0.57958%0.584SS**Hα-helixtrans-63.8-45.9176.4-171.9178.2-152.100111.6M172 A178 L179 E180M172-E176 WeakPolarHBondContact O-CB 3.48Å; M172-E176 PolarHBondContact O-N 3.06Å; E176-A178 VanDerWaalsContact C-N 3.31Å; E176-A178 PolarHBondContact O-N 3.37Å; E176-L179 WeakPolarHBondContact O-CB 3.29Å; E176-L179 PolarHBondContact O-N 2.84Å; E176-E180 WeakPolarHBondContact O-CB 3.39Å; E176-E180 PolarHBondContact O-N 3.07Å
177R81.2Confident75.9Confident161 Ų161124 Ų12461%0.60860%0.598SS**Hα-helixtrans-60.8-38.6174.1-77.5-178.9-178.1177.51.7112.8R173 Q174 E180 L181R173-R177 WeakPolarHBondContact O-CG 3.36Å; R173-R177 PolarHBondContact O-N 2.88Å; R173-R177 VanDerWaalsContact O-N 3.1Å; Q174-R177 PolarHBondContact O-N 2.88Å; R177-E180 PolarHBondContact O-N 2.84Å; R177-L181 WeakPolarHBondContact O-CB 3.49Å; R177-L181 WeakPolarHBondContact O-CD1 3.4Å; R177-L181 WeakPolarHBondContact O-CG 3.4Å; R177-L181 PolarHBondContact O-N 3.31Å
178A80.2Confident73.5Confident50 Ų50126.7 Ų126.741%0.41362%0.615SS.*Hα-helixtrans-66.4-41.9176.600000111.5Q174 A175 E176 L181 Q182Q174-A178 WeakPolarHBondContact O-CB 3.44Å; Q174-A178 PolarHBondContact O-N 3.16Å; A175-A178 PolarHBondContact O-N 2.81Å; E176-A178 VanDerWaalsContact C-N 3.31Å; E176-A178 PolarHBondContact O-N 3.37Å; A178-L181 PolarHBondContact O-N 3.47Å; A178-Q182 WeakPolarHBondContact O-CG 3.39Å; A178-Q182 PolarHBondContact O-N 2.86Å
179L80.2Confident71.2Confident108 Ų108128.5 Ų128.557%0.56562%0.624SS**Hα-helixtrans-63.1-41.6172.8-96.7156.7000112.4A175 E176 Q182 R183A175-L179 WeakPolarHBondContact O-CB 3.4Å; A175-L179 PolarHBondContact O-N 2.91Å; E176-L179 WeakPolarHBondContact O-CB 3.29Å; E176-L179 PolarHBondContact O-N 2.84Å; L179-Q182 PolarHBondContact O-N 3.5Å; L179-R183 PolarHBondContact O-N 2.98Å
180E77.7Confident68.6Low116 Ų116129.1 Ų129.154%0.54264%0.636SS.*Hα-helixtrans-66.4-40.4177.3-160.997.6-136.500111.4E176 R177 Q182 R183 R184E176-E180 WeakPolarHBondContact O-CB 3.39Å; E176-E180 PolarHBondContact O-N 3.07Å; R177-E180 PolarHBondContact O-N 2.84Å; E180-Q182 VanDerWaalsContact C-N 3.34Å; E180-R183 PolarHBondContact O-N 2.88Å; E180-R184 WeakPolarHBondContact O-CB 3.27Å; E180-R184 PolarHBondContact O-N 3.27Å
181L77.6Confident66.1Low105 Ų105129.1 Ų129.155%0.5564%0.643SS.*Hα-helixtrans-63.5-39.6172.6-79.7161000111.3R177 A178 N185R177-L181 WeakPolarHBondContact O-CB 3.49Å; R177-L181 WeakPolarHBondContact O-CD1 3.4Å; R177-L181 WeakPolarHBondContact O-CG 3.4Å; R177-L181 PolarHBondContact O-N 3.31Å; A178-L181 PolarHBondContact O-N 3.47Å; L181-N185 WeakPolarHBondContact O-CB 3.47Å; L181-N185 PolarHBondContact O-N 2.79Å
182Q70.2Confident63.8Low143 Ų143131.9 Ų131.967%0.66865%0.654SS**Hα-helixtrans-65.9-39.1172.5-77.4-179.1-11.600112.5A178 L179 E180A178-Q182 WeakPolarHBondContact O-CG 3.39Å; A178-Q182 PolarHBondContact O-N 2.86Å; L179-Q182 PolarHBondContact O-N 3.5Å; E180-Q182 VanDerWaalsContact C-N 3.34Å
183R70.5Confident62.1Low207 Ų207131.6 Ų131.678%0.78166%0.662SS**Hα-helixtrans-69.6-39.1175.2-97-175.769.9116.4-0.4113.1L179 E180 G186L179-R183 PolarHBondContact O-N 2.98Å; E180-R183 PolarHBondContact O-N 2.88Å; R183-G186 PolarHBondContact O-N 2.61Å
184R59.6Low60Low217 Ų217129.8 Ų129.882%0.81967%0.667SS**Hα-helixtrans-78-30.9-178.2-171.3178.9167.1-171.3-4.4111.9E180 G186E180-R184 WeakPolarHBondContact O-CB 3.27Å; E180-R184 PolarHBondContact O-N 3.27Å; R184-G186 PolarHBondContact O-N 2.93Å
185N57.9Low58.4Low115 Ų115129.7 Ų129.762%0.61568%0.677SS**SBendtrans-76.345.2163.2-67.4-6.7000110.4L181 E187L181-N185 WeakPolarHBondContact O-CB 3.47Å; L181-N185 PolarHBondContact O-N 2.79Å; N185-E187 PolarHBondContact O-N 3.49Å; N185-E187 VanDerWaalsContact O-N 3.16Å
186G42.1Very low56.9Low48 Ų48132.8 Ų132.850%0.49570%0.696SS.*  trans-38.9124-178.900000110.8R183 R184R183-G186 PolarHBondContact O-N 2.61Å; R184-G186 PolarHBondContact O-N 2.93Å
187E39.9Very low55.6Low192 Ų192135.1 Ų135.190%0.89771%0.707SS**  trans6780.8162.2-57.6169.5175.500114.8N185N185-E187 PolarHBondContact O-N 3.49Å; N185-E187 VanDerWaalsContact O-N 3.16Å
188T37Very low54.4Low134 Ų134134 Ų13482%0.82271%0.712SS**  trans-122.999.6132.3-34.80000106.6
189E38.1Very low53Low161 Ų161140.8 Ų140.875%0.75273%0.732SS**  trans13.9119.5158.1-68.8174146.400117.2T191E189-T191 PolarHBondContact O-N 2.97Å; E189-T191 VanDerWaalsContact O-N 3.15Å
190T31.5Very low51.9Low138 Ų138144.7 Ų144.785%0.84774%0.74SS**  trans13.195.9130.546.40000115.3
191T33.9Very low51Low124 Ų124148.1 Ų148.176%0.76176%0.756SS**  trans-144.4112146.8-24.20000106.3E189E189-T191 PolarHBondContact O-N 2.97Å; E189-T191 VanDerWaalsContact O-N 3.15Å
192E37.2Very low49.6Very low167 Ų167150 Ų15078%0.7877%0.766SS**  trans-49.1144.1162-63.9-144.3139.200108.4V194E192-V194 PolarHBondContact O-N 3.31Å
193P49.2Very low49.1Very low132 Ų132150.9 Ų150.986%0.85778%0.776SS**  trans-67.782.3175.429.2-33000108.7
194V42.9Very low48.5Very low109 Ų109149.6 Ų149.666%0.66178%0.778SS**  trans-68.7122.7167.4-177.60000105.8E192 S196E192-V194 PolarHBondContact O-N 3.31Å; V194-S196 PolarHBondContact O-N 2.81Å
195P51.3Low48.9Very low120 Ų120147.3 Ų147.378%0.77978%0.775SS**  trans-60.2113-177.721.4-29.7000109.5
196S54.4Low49.1Very low118 Ų118147.5 Ų147.583%0.82577%0.774SS**  trans-87.4123.1172.740.90000109.4V194 L198V194-S196 PolarHBondContact O-N 2.81Å; S196-L198 PolarHBondContact O-N 2.91Å
197E54.3Low50.2Low172 Ų172150.7 Ų150.780%0.80478%0.776SS**  trans-65129.4176.3-67.3-174.315700110.7K199E197-K199 VanDerWaalsContact C-N 3.32Å; E197-K199 PolarHBondContact O-N 3.35Å
198L57Low51.4Low138 Ų138149.6 Ų149.672%0.72377%0.769SS**  trans-73.384-179.2-151.5146.5000109.1S196 R200S196-L198 PolarHBondContact O-N 2.91Å; L198-R200 HydrophobicContact CD2-CG 3.74Å; L198-R200 PolarHBondContact O-N 3.23Å; L198-R200 VanDerWaalsContact O-N 3.14Å
199K49.7Very low52.8Low193 Ų193151.6 Ų151.684%0.83977%0.766SS**  trans-67.8106.5174.1-71-176179.2179.60109.3E197E197-K199 VanDerWaalsContact C-N 3.32Å; E197-K199 PolarHBondContact O-N 3.35Å
200R58.3Low54.2Low189 Ų189150.8 Ų150.871%0.71377%0.766SS**PPolyproline II helixtrans-91.1127.7171.3-65.4177.2-173.51673.6107.9L198L198-R200 HydrophobicContact CD2-CG 3.74Å; L198-R200 PolarHBondContact O-N 3.23Å; L198-R200 VanDerWaalsContact O-N 3.14Å
201E58.6Low55.8Low188 Ų188149.7 Ų149.788%0.87976%0.762SS**PPolyproline II helixtrans-74.8139.7159.3-67.7-175.215900108.2
202D47.9Very low56.6Low145 Ų145150.6 Ų150.678%0.77577%0.767SS**THydrogen-bonded Turntrans-56.4141-163-61.9-61000114.3
203D59.2Low57.6Low162 Ų162148.8 Ų148.887%0.86677%0.767SS**THydrogen-bonded Turntrans73.224.2156-56.1-33.2000121.5
204Q59.3Low57.5Low179 Ų179146.3 Ų146.384%0.83676%0.758SS**  trans-94105.3162.9-74-172.212.600113I206Q204-I206 PolarHBondContact O-N 2.9Å; Q204-I206 VanDerWaalsContact O-N 3.08Å
205K66.6Low57.6Low170 Ų170147 Ų14774%0.73976%0.763SS**  trans-58.8106.8170.4-172.3-171.4-176.5-150.80110E207K205-E207 IonicContact NZ-OE1 3.29Å; K205-E207 PolarHBondContact NZ-OE1 3.4Å; K205-E207 PolarHBondContact O-N 3.45Å; K205-E207 VanDerWaalsContact O-N 3.15Å
206I63Low57.4Low118 Ų118147.1 Ų147.161%0.60576%0.761SS**  trans-76.399.7174.1-53167.9000108.3Q204 F208Q204-I206 PolarHBondContact O-N 2.9Å; Q204-I206 VanDerWaalsContact O-N 3.08Å; I206-F208 HydrophobicContact CG2-CD2 3.84Å; I206-F208 HydrophobicContact CG2-CE2 3.42Å; I206-F208 VanDerWaalsContact CG2-CE2 3.42Å; I206-F208 HydrophobicContact CG2-CZ 3.97Å
207E64.2Low56.9Low116 Ų116147.3 Ų147.354%0.54276%0.756SS.*  trans-95.898.4178.3-155.2169.6-108.500110K205 K209K205-E207 IonicContact NZ-OE1 3.29Å; K205-E207 PolarHBondContact NZ-OE1 3.4Å; K205-E207 PolarHBondContact O-N 3.45Å; K205-E207 VanDerWaalsContact O-N 3.15Å; E207-K209 PolarHBondContact O-N 3.25Å; E207-K209 VanDerWaalsContact O-N 3.15Å
208F65.9Low56.5Low168 Ų168143.2 Ų143.274%0.73775%0.747SS**  trans-74.899.4173.9-76.8-84.4000110.3I206 L210I206-F208 HydrophobicContact CG2-CD2 3.84Å; I206-F208 HydrophobicContact CG2-CE2 3.42Å; I206-F208 VanDerWaalsContact CG2-CE2 3.42Å; I206-F208 HydrophobicContact CG2-CZ 3.97Å; F208-L210 VanDerWaalsContact C-N 3.32Å; F208-L210 HydrophobicContact CB-CD1 4.11Å; F208-L210 PolarHBondContact O-N 3.25Å; F208-L210 VanDerWaalsContact O-N 3.11Å
209K65.4Low55.6Low177 Ų177146 Ų14677%0.7775%0.753SS**  trans-8180.5167-66.4-174.3-179178.30109.5E207 P211E207-K209 PolarHBondContact O-N 3.25Å; E207-K209 VanDerWaalsContact O-N 3.15Å; K209-P211 WeakPolarHBondContact O-CD 3.34Å
210L68Low55.3Low144 Ų144144 Ų14475%0.75475%0.75SS**  trans-73.2118.9165.7-78124.4000108.6F208 T212F208-L210 VanDerWaalsContact C-N 3.32Å; F208-L210 HydrophobicContact CB-CD1 4.11Å; F208-L210 PolarHBondContact O-N 3.25Å; F208-L210 VanDerWaalsContact O-N 3.11Å; L210-T212 PolarHBondContact O-N 2.85Å
211P64.9Low54.5Low115 Ų115143.7 Ų143.775%0.74776%0.757SS**  trans-61.8124.7174.924.1-30.6000109K209 V213K209-P211 WeakPolarHBondContact O-CD 3.34Å; P211-V213 PolarHBondContact O-N 3.24Å
212T51.8Low53.7Low142 Ų142138.6 Ų138.687%0.87175%0.747SS**  trans-63.4107.4173.6-18.80000107.1L210 A214L210-T212 PolarHBondContact O-N 2.85Å; T212-A214 PolarHBondContact O-N 2.94Å
213V57.6Low53.6Low130 Ų130137.4 Ų137.479%0.78875%0.747SS**  trans-60.4108.9173.8179.10000106.9P211 T215P211-V213 PolarHBondContact O-N 3.24Å; V213-T215 PolarHBondContact O-N 3.4Å; V213-T215 VanDerWaalsContact O-N 3.09Å
214A48.2Very low52.9Low80 Ų80134.9 Ų134.966%0.66174%0.742SS**  trans-51.4117173.300000108.5T212 V216T212-A214 PolarHBondContact O-N 2.94Å; A214-V216 VanDerWaalsContact C-N 3.32Å; A214-V216 PolarHBondContact O-N 2.96Å
215T44.4Very low52.5Low124 Ų124137.5 Ų137.576%0.76174%0.744SS**  trans-63.696.7171.6-45.60000107.4V213 V217V213-T215 PolarHBondContact O-N 3.4Å; V213-T215 VanDerWaalsContact O-N 3.09Å; T215-V217 HydrophobicContact CG2-CG2 4.04Å; T215-V217 PolarHBondContact O-N 3.14Å
216V46.7Very low51.5Low122 Ų122137.1 Ų137.174%0.73975%0.745SS**  trans-69.490.5166.6-172.60000106A214 S218A214-V216 VanDerWaalsContact C-N 3.32Å; A214-V216 PolarHBondContact O-N 2.96Å; V216-S218 PolarHBondContact O-N 3.06Å
217V43.3Very low50.9Low121 Ų121138.3 Ų138.373%0.73376%0.757SS**  trans-68.790.1165.1-179.60000106T215 K219T215-V217 HydrophobicContact CG2-CG2 4.04Å; T215-V217 PolarHBondContact O-N 3.14Å; V217-K219 PolarHBondContact O-N 3.14Å; V217-K219 VanDerWaalsContact O-N 3.12Å
218S47.2Very low50.2Low87 Ų87138.3 Ų138.361%0.60877%0.765SS**  trans-54.8115.3166.1-43.80000107.8V216 I220V216-S218 PolarHBondContact O-N 3.06Å; S218-I220 PolarHBondContact O-N 3.39Å
219K37.4Very low49.5Very low197 Ų197136.5 Ų136.586%0.85776%0.763SS**  trans-50.9100.6168-75.3173.4173.7177.60109V217V217-K219 PolarHBondContact O-N 3.14Å; V217-K219 VanDerWaalsContact O-N 3.12Å
220I44Very low48.6Very low150 Ų150133.4 Ų133.477%0.76976%0.761SS**  trans-104.1101.1161.1-60.8173.4000104.6S218 A222S218-I220 PolarHBondContact O-N 3.39Å; I220-A222 PolarHBondContact O-N 3.08Å
221E40.7Very low47.6Very low183 Ų183134.3 Ų134.386%0.85577%0.766SS**  trans-60.799.5172.6-69.8177159.800108.7
222A42.5Very low46.6Very low81 Ų81138 Ų13867%0.66977%0.77SS**  trans-72127.2165.400000108.3I220 S224I220-A222 PolarHBondContact O-N 3.08Å; A222-S224 PolarHBondContact O-N 3.01Å
223P45.1Very low46.2Very low120 Ų120141.7 Ų141.778%0.77977%0.768SS**  trans-7299.9171.528.5-29.8000108.2R225P223-R225 VanDerWaalsContact C-N 3.27Å; P223-R225 PolarHBondContact O-N 3.26Å
224S45.4Very low45.3Very low108 Ų108144.5 Ų144.576%0.75577%0.773SS**  trans-65.489.2163.246.50000108.7A222 E226A222-S224 PolarHBondContact O-N 3.01Å; S224-E226 VanDerWaalsContact C-N 3.31Å; S224-E226 PolarHBondContact O-N 3.13Å; S224-E226 VanDerWaalsContact O-N 3.07Å
225R49.6Very low45.2Very low234 Ų234147.8 Ų147.888%0.88378%0.778SS**  trans-75.192162.2-86.2-175.8166.4171.1-2.6108.1P223 V227P223-R225 VanDerWaalsContact C-N 3.27Å; P223-R225 PolarHBondContact O-N 3.26Å; R225-V227 PolarHBondContact O-N 3.32Å
226E47.1Very low44.8Very low162 Ų162146.6 Ų146.676%0.75778%0.775SS**  trans-55.8122.7161.4-68.2-171.216200109.2S224 V228S224-E226 VanDerWaalsContact C-N 3.31Å; S224-E226 PolarHBondContact O-N 3.13Å; S224-E226 VanDerWaalsContact O-N 3.07Å; E226-V228 VanDerWaalsContact C-N 3.29Å; E226-V228 HydrophobicContact CB-CG2 4.38Å; E226-V228 PolarHBondContact O-N 3.22Å
227V48.5Very low44.6Very low143 Ų143149.5 Ų149.587%0.86777%0.774SS**  trans-73.287.2174.2-179.10000107.2R225 N229R225-V227 PolarHBondContact O-N 3.32Å; V227-N229 PolarHBondContact O-N 3.25Å
228V51.1Low44.5Very low117 Ų117153.3 Ų153.371%0.70978%0.775SS**  trans-87.4106.9170.3-153.20000108E226 P230E226-V228 VanDerWaalsContact C-N 3.29Å; E226-V228 HydrophobicContact CB-CG2 4.38Å; E226-V228 PolarHBondContact O-N 3.22Å; V228-P230 VanDerWaalsContact O-CD 3.25Å; V228-P230 WeakPolarHBondContact O-CD 3.47Å
229N50.1Low43.8Very low129 Ų129158.9 Ų158.969%0.6979%0.792SS**  trans-71.1110.3177-164.11.3000109.8V227 L231V227-N229 PolarHBondContact O-N 3.25Å; N229-L231 PolarHBondContact O-N 2.97Å
230P46.7Very low43.7Very low113 Ų113152.6 Ų152.673%0.73478%0.783SS**THydrogen-bonded Turntrans-93.616.8-165.234.9-29.9000114.8V228V228-P230 VanDerWaalsContact O-CD 3.25Å; V228-P230 WeakPolarHBondContact O-CD 3.47Å
231L47.9Very low43.2Very low162 Ų162151.2 Ų151.285%0.84879%0.787SS**THydrogen-bonded Turntrans-125.221.8-176.2-111.3101000116.7N229N229-L231 PolarHBondContact O-N 2.97Å
232K43Very low43.2Very low193 Ų193149.1 Ų149.184%0.83979%0.786SS**  trans-114.455168.9-127.4179.7-172.6-1770110.9
233R43.3Very low42.7Very low220 Ų220149.8 Ų149.883%0.8379%0.792SS**  trans-107.390166.6-149.4173.7-172.9-1571.3108.3L235R233-L235 PolarHBondContact O-N 3.18Å; R233-L235 VanDerWaalsContact O-N 3.14Å
234Q38.5Very low42.3Very low189 Ų189150 Ų15088%0.88380%0.795SS**  trans-59.3109.4164.3-68.9-176.2-86.400107.8
235L45.7Very low41.8Very low149 Ų149149.8 Ų149.878%0.7879%0.793SS**  trans-104.791.1160.8-87.2156.1000106.8R233R233-L235 PolarHBondContact O-N 3.18Å; R233-L235 VanDerWaalsContact O-N 3.14Å
236S37.6Very low41.2Very low99 Ų99145.7 Ų145.769%0.69279%0.794SS**  trans-58.8119.7151.148.80000109
237Y41.8Very low40.9Very low182 Ų182142.8 Ų142.871%0.71480%0.797SS**  trans-177125131.9-124.2-118.7000113.2
238R40.6Very low40.3Very low201 Ų201140.8 Ų140.876%0.75879%0.79SS**  trans60.7103.9146.5-76.1-172.9169.9160.1-4.7120.5G240R238-G240 PolarHBondContact O-N 3.2Å
239E33.3Very low39.9Very low204 Ų204140.6 Ų140.695%0.95379%0.794SS**  trans-36119.1136.4-67.1167.2146.400111.3
240G34.9Very low39.3Very low66 Ų66144.1 Ų144.168%0.6880%0.803SS**  trans-131.29116900000107.3R238 V242R238-G240 PolarHBondContact O-N 3.2Å; G240-V242 PolarHBondContact O-N 2.79Å
241S33.4Very low39.1Very low120 Ų120143.2 Ų143.284%0.83980%0.8SS**  trans-60.6115.4168.7500000109.3
242V40.6Very low38.5Very low139 Ų139141.5 Ų141.584%0.84280%0.801SS**  trans-128.696.9157.7-108.50000107.2G240G240-V242 PolarHBondContact O-N 2.79Å
243A31.6Very low38.9Very low96 Ų96141.8 Ų141.879%0.79380%0.797SS**  trans-62126.3158.300000108.1
244C36.6Very low39.4Very low125 Ų125137.7 Ų137.785%0.84580%0.796SS**  trans-132.8112.1152.9-100.10000108.8
245S36.8Very low40Very low103 Ų103134.3 Ų134.372%0.7279%0.793SS**  trans-42.8131.7171.5430000114.7A247S245-A247 PolarHBondContact O-N 3.15Å
246V36.7Very low40.7Very low147 Ų147131 Ų13189%0.89177%0.773SS**  trans-8.3114.8137.1-122.40000114.5
247A40.1Very low42.6Very low101 Ų101131.2 Ų131.284%0.83577%0.77SS**  trans-136.8113.7150.700000108.6S245S245-A247 PolarHBondContact O-N 3.15Å
248S36.7Very low44.3Very low102 Ų102125.7 Ų125.771%0.71376%0.762SS**  trans-67120.2-179.4159.80000111.3
249S43Very low45.7Very low113 Ų113119 Ų11979%0.7974%0.741SS**  trans-121.890.9153.560.90000109S251S249-S251 PolarHBondContact O-N 3.15Å; S249-S251 VanDerWaalsContact O-N 3.14Å
250K36.2Very low47.8Very low202 Ų202111.2 Ų111.288%0.87871%0.711SS**  trans-61.1103.4165-78.2174.3174.8173.40108.7
251S42.8Very low50Low95 Ų95113 Ų11366%0.66470%0.702SS**  trans-130.3118.9152.577.60000108.2S249 R253S249-S251 PolarHBondContact O-N 3.15Å; S249-S251 VanDerWaalsContact O-N 3.14Å; S251-R253 PolarHBondContact O-N 3.15Å
252S36.1Very low52.2Low125 Ų125111.5 Ų111.587%0.87468%0.684SS**  trans-31.7102.2175.951.60000114.4
253R51.5Low53.9Low199 Ų199107.9 Ų107.975%0.75166%0.659SS**  trans-130.6123.6158.8-83.1-178.1166.8174.3-4.5106.9S251 S255S251-R253 PolarHBondContact O-N 3.15Å; R253-S255 PolarHBondContact O-N 3.2Å
254T53.5Low56.2Low134 Ų134106 Ų10682%0.82263%0.633SS**  trans-39.5129171.236.70000109.7K256T254-K256 PolarHBondContact O-N 3.42Å
255S50.8Low58.2Low118 Ų118102.2 Ų102.283%0.82561%0.611SS**  trans-54.496.9-171.452.90000110.9R253 T257R253-S255 PolarHBondContact O-N 3.2Å; S255-T257 PolarHBondContact O-N 3.02Å
256K59.8Low60.3Low79 Ų79100.4 Ų100.434%0.34359%0.591SS.*  trans-64.2131.5169.9-71.2179175.8-178.70106.7T254 A260 E261 E264T254-K256 PolarHBondContact O-N 3.42Å; K256-A260 HydrophobicContact CB-CB 4.26Å; K256-E261 HydrophobicContact CB-CG 3.75Å; K256-E264 WeakPolarHBondContact CD-OE2 3.22Å; K256-E264 IonicContact NZ-OE1 3.27Å; K256-E264 PolarHBondContact NZ-OE1 3.22Å; K256-E264 IonicContact NZ-OE2 3.8Å; K256-E264 PolarHBondContact NZ-OE2 2.6Å
257T78.5Confident62.4Low105 Ų10596 Ų9664%0.64456%0.56SS**  trans-55.6143.8173.5-46.50000108.7S255 L259 A260 E261S255-T257 PolarHBondContact O-N 3.02Å; T257-L259 HydrophobicContact CG2-CB 4.36Å; T257-L259 CarbonylContact O-C 3.54Å; T257-L259 PolarHBondContact O-N 3.27Å; T257-A260 WeakPolarHBondContact O-CA 3.42Å; T257-A260 WeakPolarHBondContact O-CB 3.32Å; T257-A260 PolarHBondContact O-N 3.06Å; T257-E261 PolarHBondContact O-N 3.33Å; T257-E261 VanDerWaalsContact O-N 3.12Å
258A75.9Confident64.4Low66 Ų6697.8 Ų97.855%0.54555%0.546SS..Hα-helixtrans-49.2-31.4178.600000113.1I262A258-I262 WeakPolarHBondContact O-CD1 2.98Å; A258-I262 VanDerWaalsContact O-CG1 3.23Å; A258-I262 WeakPolarHBondContact O-CG1 3.23Å; A258-I262 PolarHBondContact O-N 3.22Å
259L71Confident66.6Low61 Ų61101 Ų10132%0.31954%0.542SS..Hα-helixtrans-64.4-45.2173.2-171.7133000113.2L55 T257 E261 I262 M263L55-L259 HydrophobicContact CD2-CB 4.42Å; L55-L259 HydrophobicContact CD2-CD1 3.45Å; L55-L259 VanDerWaalsContact CD2-CD1 3.45Å; L55-L259 HydrophobicContact CD2-CG 3.79Å; L55-L259 HydrophobicContact CG-CD1 4.35Å; T257-L259 HydrophobicContact CG2-CB 4.36Å; T257-L259 CarbonylContact O-C 3.54Å; T257-L259 PolarHBondContact O-N 3.27Å; L259-E261 VanDerWaalsContact C-N 3.32Å; L259-E261 PolarHBondContact O-N 3.43Å; L259-I262 PolarHBondContact O-N 3.09Å; L259-M263 HydrophobicContact CD2-SD 3.63Å; L259-M263 HydrophobicContact CG-SD 4.4Å; L259-M263 VanDerWaalsContact O-CG 3.31Å; L259-M263 WeakPolarHBondContact O-CG 3.28Å; L259-M263 PolarHBondContact O-N 3.32Å
260A77.1Confident68.5Low39 Ų3998.5 Ų98.532%0.32252%0.517SS..Hα-helixtrans-66.2-36.2177.500000111.6K256 T257 E264K256-A260 HydrophobicContact CB-CB 4.26Å; T257-A260 WeakPolarHBondContact O-CA 3.42Å; T257-A260 WeakPolarHBondContact O-CB 3.32Å; T257-A260 PolarHBondContact O-N 3.06Å; A260-E264 VanDerWaalsContact O-CB 3.26Å; A260-E264 WeakPolarHBondContact O-CB 3.5Å; A260-E264 PolarHBondContact O-N 2.93Å
261E80.9Confident70.7Confident105 Ų10591.4 Ų91.449%0.49149%0.487SS..Hα-helixtrans-66.8-41.6175.4-65.3-173.816600112.4K256 T257 L259 A265K256-E261 HydrophobicContact CB-CG 3.75Å; T257-E261 PolarHBondContact O-N 3.33Å; T257-E261 VanDerWaalsContact O-N 3.12Å; L259-E261 VanDerWaalsContact C-N 3.32Å; L259-E261 PolarHBondContact O-N 3.43Å; E261-A265 VanDerWaalsContact O-CB 3.23Å; E261-A265 WeakPolarHBondContact O-CB 3.44Å; E261-A265 PolarHBondContact O-N 3.47Å
262I79.3Confident72.7Confident88 Ų8893.6 Ų93.645%0.45149%0.491SS..Hα-helixtrans-64.6-46.4176.2-68.5163.5000110.4L55 A258 L259 E264 A265 E266L55-I262 HydrophobicContact CD1-CD1 4.46Å; A258-I262 WeakPolarHBondContact O-CD1 2.98Å; A258-I262 VanDerWaalsContact O-CG1 3.23Å; A258-I262 WeakPolarHBondContact O-CG1 3.23Å; A258-I262 PolarHBondContact O-N 3.22Å; L259-I262 PolarHBondContact O-N 3.09Å; I262-E264 PolarHBondContact O-N 2.96Å; I262-A265 PolarHBondContact O-N 2.85Å; I262-E266 PolarHBondContact O-N 3.14Å
263M77.1Confident74.8Confident63 Ų6394.7 Ų94.731%0.3148%0.476SS..Hα-helixtrans-59.7-48.1177.7-73.2178.466.300111.5L259 A265 E266 E267L259-M263 HydrophobicContact CD2-SD 3.63Å; L259-M263 HydrophobicContact CG-SD 4.4Å; L259-M263 VanDerWaalsContact O-CG 3.31Å; L259-M263 WeakPolarHBondContact O-CG 3.28Å; L259-M263 PolarHBondContact O-N 3.32Å; M263-A265 VanDerWaalsContact C-N 3.3Å; M263-A265 PolarHBondContact O-N 3.08Å; M263-E266 PolarHBondContact O-N 3.31Å; M263-E267 WeakPolarHBondContact O-CB 3.45Å; M263-E267 WeakPolarHBondContact O-CG 3.32Å; M263-E267 PolarHBondContact O-N 2.92Å
264E79Confident76.3Confident57 Ų5788.2 Ų88.227%0.26646%0.456SS..Hα-helixtrans-65.7-32.2178.2-176178.2-164.500112.2K256 A260 I262 R268K256-E264 WeakPolarHBondContact CD-OE2 3.22Å; K256-E264 IonicContact NZ-OE1 3.27Å; K256-E264 PolarHBondContact NZ-OE1 3.22Å; K256-E264 IonicContact NZ-OE2 3.8Å; K256-E264 PolarHBondContact NZ-OE2 2.6Å; A260-E264 VanDerWaalsContact O-CB 3.26Å; A260-E264 WeakPolarHBondContact O-CB 3.5Å; A260-E264 PolarHBondContact O-N 2.93Å; I262-E264 PolarHBondContact O-N 2.96Å; E264-R268 WeakPolarHBondContact O-CB 3.49Å; E264-R268 WeakPolarHBondContact O-CG 3.46Å; E264-R268 PolarHBondContact O-N 3.5Å; E264-R268 PolarHBondContact O-NE 3.46Å
265A79.4Confident77.8Confident45 Ų4586.9 Ų86.937%0.37244%0.436SS..Hα-helixtrans-69.7-40.3174.500000111.9E261 I262 M263 R269E261-A265 VanDerWaalsContact O-CB 3.23Å; E261-A265 WeakPolarHBondContact O-CB 3.44Å; E261-A265 PolarHBondContact O-N 3.47Å; I262-A265 PolarHBondContact O-N 2.85Å; M263-A265 VanDerWaalsContact C-N 3.3Å; M263-A265 PolarHBondContact O-N 3.08Å; A265-R269 WeakPolarHBondContact O-CB 3.47Å; A265-R269 PolarHBondContact O-N 3.08Å
266E80.9Confident79.4Confident64 Ų6487.3 Ų87.330%0.29942%0.419SS..Hα-helixtrans-69-40.5176.3-158.9-161.4153.400111.6I262 M263 R269 K270I262-E266 PolarHBondContact O-N 3.14Å; M263-E266 PolarHBondContact O-N 3.31Å; E266-R269 CarbonylContact O-C 3.55Å; E266-R269 WeakPolarHBondContact O-CB 3.35Å; E266-R269 PolarHBondContact O-N 2.94Å; E266-R269 VanDerWaalsContact O-N 3.15Å; E266-K270 WeakPolarHBondContact O-CG 3.32Å; E266-K270 PolarHBondContact O-N 2.95Å; E266-K270 WeakPolarHBondContact OE1-CE 3.31Å; E266-K270 IonicContact OE1-NZ 3.66Å; E266-K270 PolarHBondContact OE1-NZ 3.49Å
267E80.6Confident80.6Confident54 Ų5492 Ų9225%0.25244%0.443SS..Hα-helixtrans-61.2-47.2173.4-75.9-173.8143.100111.5M263 R269 K270 E271 Y350 R379M263-E267 WeakPolarHBondContact O-CB 3.45Å; M263-E267 WeakPolarHBondContact O-CG 3.32Å; M263-E267 PolarHBondContact O-N 2.92Å; E267-R269 VanDerWaalsContact C-N 3.25Å; E267-R269 PolarHBondContact O-N 3.45Å; E267-K270 CarbonylContact O-C 3.38Å; E267-K270 PolarHBondContact O-N 3.07Å; E267-E271 WeakPolarHBondContact O-CB 3.29Å; E267-E271 PolarHBondContact O-N 3Å; E267-Y350 PolarHBondContact OE1-OH 2.99Å; E267-R379 VanDerWaalsContact CD-NH2 3.31Å; E267-R379 IonicContact OE1-CZ 2.63Å; E267-R379 IonicContact OE1-NE 3.2Å; E267-R379 IonicContact OE1-NH1 3.28Å; E267-R379 PolarHBondContact OE1-NH1 3.35Å; E267-R379 IonicContact OE1-NH2 3.7Å; E267-R379 PolarHBondContact OE1-NH2 3.49Å; E267-R379 IonicContact OE2-NH2 2.75Å
268R82.6Confident81.1Confident139 Ų13987.5 Ų87.553%0.52542%0.415SS..Hα-helixtrans-58.5-38.2172.3-81.1-177.4-74.9151.7-7.3112.1E264 K270 E271 L272E264-R268 WeakPolarHBondContact O-CB 3.49Å; E264-R268 WeakPolarHBondContact O-CG 3.46Å; E264-R268 PolarHBondContact O-N 3.5Å; E264-R268 PolarHBondContact O-NE 3.46Å; R268-K270 VanDerWaalsContact C-N 3.34Å; R268-K270 PolarHBondContact O-N 3.33Å; R268-E271 WeakPolarHBondContact O-CB 3.47Å; R268-E271 PolarHBondContact O-N 3.46Å; R268-L272 WeakPolarHBondContact O-CD1 3.38Å; R268-L272 PolarHBondContact O-N 2.87Å
269R83.3Confident81.9Confident169 Ų16986.3 Ų86.364%0.63840%0.396SS*.Hα-helixtrans-69.2-30.9176.7-165-176.8176.8160.41.9112.8A265 E266 E267 R273A265-R269 WeakPolarHBondContact O-CB 3.47Å; A265-R269 PolarHBondContact O-N 3.08Å; E266-R269 CarbonylContact O-C 3.55Å; E266-R269 WeakPolarHBondContact O-CB 3.35Å; E266-R269 PolarHBondContact O-N 2.94Å; E266-R269 VanDerWaalsContact O-N 3.15Å; E267-R269 VanDerWaalsContact C-N 3.25Å; E267-R269 PolarHBondContact O-N 3.45Å; R269-R273 PolarHBondContact O-N 3.14Å; R269-R273 PolarHBondContact O-NE 3.14Å
270K82.1Confident82.9Confident61 Ų6183.5 Ų83.527%0.26538%0.382SS..Hα-helixtrans-73.6-44.4172.4-74.5174.4-177.21610110.4E266 E267 R268 L272 R273 N274 A349E266-K270 WeakPolarHBondContact O-CG 3.32Å; E266-K270 PolarHBondContact O-N 2.95Å; E266-K270 WeakPolarHBondContact OE1-CE 3.31Å; E266-K270 IonicContact OE1-NZ 3.66Å; E266-K270 PolarHBondContact OE1-NZ 3.49Å; E267-K270 CarbonylContact O-C 3.38Å; E267-K270 PolarHBondContact O-N 3.07Å; R268-K270 VanDerWaalsContact C-N 3.34Å; R268-K270 PolarHBondContact O-N 3.33Å; K270-L272 PolarHBondContact O-N 3.15Å; K270-R273 PolarHBondContact O-N 3.01Å; K270-N274 VanDerWaalsContact O-CB 3.29Å; K270-N274 WeakPolarHBondContact O-CB 3.46Å; K270-N274 PolarHBondContact O-N 3.05Å; K270-A349 HydrophobicContact CB-CB 3.85Å
271E83.2Confident83.6Confident54 Ų5484 Ų8425%0.25238%0.377SS..Hα-helixtrans-51.9-56.5173.7-171.365.3-151.600110.4E267 R268 R273 N274 R275 G348 A349E267-E271 WeakPolarHBondContact O-CB 3.29Å; E267-E271 PolarHBondContact O-N 3Å; R268-E271 WeakPolarHBondContact O-CB 3.47Å; R268-E271 PolarHBondContact O-N 3.46Å; E271-R273 VanDerWaalsContact C-N 3.28Å; E271-R273 PolarHBondContact O-N 2.83Å; E271-N274 PolarHBondContact O-N 3.2Å; E271-R275 VanDerWaalsContact O-CB 3.27Å; E271-R275 WeakPolarHBondContact O-CB 3.43Å; E271-R275 PolarHBondContact O-N 2.98Å; E271-R275 WeakPolarHBondContact OE1-CD 3.29Å; E271-R275 IonicContact OE1-CZ 3.4Å; E271-R275 IonicContact OE1-NH1 3.41Å; E271-R275 PolarHBondContact OE1-NH1 3.4Å; E271-G348 WeakPolarHBondContact OE1-CA 3.46Å; E271-G348 VanDerWaalsContact OE2-C 3.31Å; E271-G348 WeakPolarHBondContact OE2-CA 3.42Å; E271-A349 HydrophobicContact CB-CB 4.44Å; E271-A349 PolarHBondContact OE2-N 2.72Å
272L83Confident84.3Confident141 Ų14185.8 Ų85.874%0.73838%0.384SS*.Hα-helixtrans-61.6-31.5-179.3-91.385.9000114.1R268 K270R268-L272 WeakPolarHBondContact O-CD1 3.38Å; R268-L272 PolarHBondContact O-N 2.87Å; K270-L272 PolarHBondContact O-N 3.15Å
273R81.8Confident84.9Confident148 Ų14882.2 Ų82.256%0.55837%0.369SS*.Hα-helixtrans-79.7-33.4178.6-87.9-178.8-67.2-165.74.8112.9R269 K270 E271R269-R273 PolarHBondContact O-N 3.14Å; R269-R273 PolarHBondContact O-NE 3.14Å; K270-R273 PolarHBondContact O-N 3.01Å; E271-R273 VanDerWaalsContact C-N 3.28Å; E271-R273 PolarHBondContact O-N 2.83Å
274N82.1Confident85.8Confident62 Ų6279.2 Ų79.233%0.33235%0.354SS..Hα-helixtrans-95.6-18.8-172.9-68.7-6.7000112.5K270 E271 R276 G348 A349 R351K270-N274 VanDerWaalsContact O-CB 3.29Å; K270-N274 WeakPolarHBondContact O-CB 3.46Å; K270-N274 PolarHBondContact O-N 3.05Å; E271-N274 PolarHBondContact O-N 3.2Å; N274-R276 PolarHBondContact O-N 3.3Å; N274-R276 VanDerWaalsContact O-N 3.13Å; N274-G348 WeakPolarHBondContact CB-O 3.1Å; N274-A349 PolarHBondContact ND2-O 3.23Å; N274-R351 HydrophobicContact CB-CB 4.36Å; N274-R351 VanDerWaalsContact O-CD 3.32Å; N274-R351 WeakPolarHBondContact O-CD 3.43Å
275R85.5Confident86.6Confident106 Ų10676.7 Ų76.740%0.434%0.342SS..  trans-62.9112.6175.6-158.484.6178.5-161.68.8109.5E271 N347 D388E271-R275 VanDerWaalsContact O-CB 3.27Å; E271-R275 WeakPolarHBondContact O-CB 3.43Å; E271-R275 PolarHBondContact O-N 2.98Å; E271-R275 WeakPolarHBondContact OE1-CD 3.29Å; E271-R275 IonicContact OE1-CZ 3.4Å; E271-R275 IonicContact OE1-NH1 3.41Å; E271-R275 PolarHBondContact OE1-NH1 3.4Å; R275-N347 VanDerWaalsContact CA-OD1 3.3Å; R275-N347 WeakPolarHBondContact CA-OD1 3.49Å; R275-D388 IonicContact CZ-OD1 3.83Å; R275-D388 IonicContact CZ-OD2 3.18Å; R275-D388 IonicContact NH1-OD1 2.83Å; R275-D388 IonicContact NH1-OD2 3.51Å; R275-D388 PolarHBondContact NH1-OD2 3.48Å; R275-D388 IonicContact NH2-OD1 3.3Å; R275-D388 PolarHBondContact NH2-OD1 3.25Å; R275-D388 IonicContact NH2-OD2 3.73Å; R275-D388 PolarHBondContact NH2-OD2 3.05Å
276R84.2Confident87.4Confident128 Ų12874.5 Ų74.548%0.48332%0.324SS..  trans-113.1158.2173.4-64-157.1-175.7171.3-3.8110.4N274 C278 E309 N347N274-R276 PolarHBondContact O-N 3.3Å; N274-R276 VanDerWaalsContact O-N 3.13Å; R276-C278 VanDerWaalsContact C-N 3.34Å; R276-E309 IonicContact NH1-OE2 2.68Å; R276-E309 PolarHBondContact NH1-OE2 3.4Å; R276-N347 PolarHBondContact N-OD1 3.16Å; R276-N347 PolarHBondContact O-ND2 2.85Å
277E85.1Confident88.1Confident178 Ų17875 Ų7583%0.83233%0.325SS*.SBendtrans-68.5-34.5172-65.4-174177.300111.9Q329E277-Q329 PolarHBondContact O-NE2 3.41Å; E277-Q329 PolarHBondContact O-OE1 3.4Å
278C88.6Confident88.8Confident10 Ų1072.4 Ų72.47%0.06831%0.313CS..  trans-89.4111.2173.7-167.80000110.9R276 C312 R351R276-C278 VanDerWaalsContact C-N 3.34Å; C278-C312 HydrophobicContact CB-CB 4.36Å; C278-C312 WeakPolarHBondContact CB-SG 3.48Å; C278-R351 PolarHBondContact O-NH2 3.46Å; C278-R351 VanDerWaalsContact O-NH2 3.1Å
279W92.6Very high89.3Confident40 Ų4069.6 Ų69.615%0.15231%0.311CS..  trans-94.2-10.3176.461-96.2000113.2I284 V286 Q329 L332 T334 V346W279-I284 HydrophobicContact CE3-CD1 4.35Å; W279-I284 HydrophobicContact CZ3-CD1 3.92Å; W279-V286 HydrophobicContact CH2-CG1 3.99Å; W279-V286 HydrophobicContact CZ3-CG1 4.03Å; W279-Q329 HydrophobicContact CZ2-CB 4.4Å; W279-L332 HydrophobicContact CH2-CB 4Å; W279-L332 HydrophobicContact CZ2-CB 4.12Å; W279-T334 HydrophobicContact CE3-CG2 4Å; W279-T334 HydrophobicContact CH2-CG2 3.99Å; W279-T334 HydrophobicContact CZ3-CG2 3.59Å; W279-V346 HydrophobicContact CB-CB 4.41Å; W279-V346 HydrophobicContact CB-CG2 4.38Å; W279-V346 HydrophobicContact CE3-CB 4.42Å; W279-V346 HydrophobicContact CE3-CG1 4.48Å; W279-V346 HydrophobicContact CE3-CG2 4.24Å; W279-V346 VanDerWaalsContact O-CB 3.29Å; W279-V346 WeakPolarHBondContact O-CB 3.48Å
280L93.5Very high89.6Confident3 Ų362.6 Ų62.62%0.01629%0.288CS..  trans-63.1139.9-176.6-68.7166.4000112.3V307 C312 A314 Q329 L332L280-V307 HydrophobicContact CB-CG1 3.67Å; L280-V307 HydrophobicContact CB-CG2 4.01Å; L280-C312 WeakPolarHBondContact CD1-O 3.42Å; L280-A314 HydrophobicContact CD1-CB 3.67Å; L280-A314 HydrophobicContact CD2-CB 4.18Å; L280-A314 HydrophobicContact CG-CB 4.4Å; L280-Q329 HydrophobicContact CD1-CB 3.62Å; L280-Q329 HydrophobicContact CG-CB 3.92Å; L280-L332 HydrophobicContact CD2-CD1 3.72Å
281H91.8Very high90Very high49 Ų4963.3 Ų63.323%0.22730%0.301CS..  trans-136.3144.9175.5-100.8-83000109.5I284 V304 L344H281-I284 HydrophobicContact CB-CD1 4.45Å; H281-I284 HydrophobicContact CB-CG2 4.05Å; H281-I284 VanDerWaalsContact O-CG1 3.26Å; H281-I284 WeakPolarHBondContact O-CG1 3.18Å; H281-V304 WeakPolarHBondContact O-CB 3.28Å; H281-V304 WeakPolarHBondContact O-CG1 3.14Å; H281-L344 HydrophobicContact CB-CD2 3.55Å
282K93.6Very high90.3Very high143 Ų14369.5 Ų69.562%0.62233%0.327SS*.THydrogen-bonded Turntrans-63.6137.9172.1176.5171.6-179169.10110.9T305 W392K282-T305 WeakPolarHBondContact CD-O 3.46Å; K282-T305 WeakPolarHBondContact CE-O 3.44Å; K282-T305 WeakPolarHBondContact CG-O 3.26Å; K282-W392 WeakPolarHBondContact O-CH2 3.38Å; K282-W392 WeakPolarHBondContact O-CZ3 3.41Å
283G93.5Very high90.4Very high13 Ų1366.6 Ų66.613%0.13431%0.307CS..THydrogen-bonded Turntrans87.56.1174.800000115.4V304 C393G283-V304 PolarHBondContact N-O 3.45Å; G283-C393 PolarHBondContact O-N 3.23Å
284I95.6Very high90.6Very high0 Ų060.3 Ų60.30%029%0.289CS..BIsolated β-bridgetrans-89.3151.7172.770.6-175.6000111W279 H281 V286 V304 L344 V346 K391 W392W279-I284 HydrophobicContact CE3-CD1 4.35Å; W279-I284 HydrophobicContact CZ3-CD1 3.92Å; H281-I284 HydrophobicContact CB-CD1 4.45Å; H281-I284 HydrophobicContact CB-CG2 4.05Å; H281-I284 VanDerWaalsContact O-CG1 3.26Å; H281-I284 WeakPolarHBondContact O-CG1 3.18Å; I284-V286 HydrophobicContact CD1-CG1 3.97Å; I284-V286 HydrophobicContact CG1-CG1 3.98Å; I284-V304 HydrophobicContact CD1-CG2 4.23Å; I284-V304 HydrophobicContact CG1-CB 4.11Å; I284-V304 HydrophobicContact CG1-CG2 3.6Å; I284-V304 PolarHBondContact O-N 2.93Å; I284-L344 HydrophobicContact CG2-CB 4.08Å; I284-L344 HydrophobicContact CG2-CD2 3.53Å; I284-L344 HydrophobicContact CG2-CG 4.44Å; I284-V346 HydrophobicContact CD1-CG1 4.02Å; I284-V346 HydrophobicContact CG2-CG1 4.27Å; I284-K391 WeakPolarHBondContact CA-O 3.49Å; I284-W392 HydrophobicContact CG2-CE3 4.26Å
285V95.8Very high90.9Very high3 Ų366.1 Ų66.12%0.01831%0.311CS..EExtended strand (participates in β ladder)trans-91129169.4-173.10000108.8K301 A302 V303 L319 V335 S390 K391 C393V285-K301 HydrophobicContact CG1-CB 4.16Å; V285-A302 CarbonylContact C-O 3.59Å; V285-A302 WeakPolarHBondContact CA-O 3.37Å; V285-V303 HydrophobicContact CG2-CG2 4.37Å; V285-L319 HydrophobicContact CG1-CD1 4.26Å; V285-V335 HydrophobicContact CG1-CB 4.38Å; V285-V335 HydrophobicContact CG1-CG2 4.28Å; V285-S390 PolarHBondContact O-OG 2.81Å; V285-K391 HydrophobicContact CB-CB 4.17Å; V285-K391 HydrophobicContact CB-CD 4.28Å; V285-K391 HydrophobicContact CB-CG 4.4Å; V285-K391 HydrophobicContact CG2-CB 4.34Å; V285-K391 HydrophobicContact CG2-CD 3.95Å; V285-K391 HydrophobicContact CG2-CG 4.06Å; V285-K391 PolarHBondContact N-O 3.43Å; V285-C393 HydrophobicContact CG2-CB 4.04Å
286V96Very high91.1Very high0 Ų065.8 Ų65.80%031%0.314CS..EExtended strand (participates in β ladder)trans-123.8159.2177.9-69.60000110.2W279 I284 K301 A302 V304 V316 L332 E333W279-V286 HydrophobicContact CH2-CG1 3.99Å; W279-V286 HydrophobicContact CZ3-CG1 4.03Å; I284-V286 HydrophobicContact CD1-CG1 3.97Å; I284-V286 HydrophobicContact CG1-CG1 3.98Å; V286-K301 CarbonylContact O-C 3.57Å; V286-K301 VanDerWaalsContact O-CA 3.31Å; V286-K301 WeakPolarHBondContact O-CA 3.34Å; V286-A302 HydrophobicContact CG2-CB 4.46Å; V286-A302 PolarHBondContact N-O 2.92Å; V286-A302 PolarHBondContact O-N 3.21Å; V286-V304 HydrophobicContact CG1-CG2 4.01Å; V286-V304 HydrophobicContact CG2-CG2 3.87Å; V286-V316 HydrophobicContact CG2-CG1 3.99Å; V286-L332 HydrophobicContact CB-CB 4.33Å; V286-L332 HydrophobicContact CB-CD2 4.27Å; V286-L332 HydrophobicContact CG2-CD1 4.21Å; V286-L332 HydrophobicContact CG2-CD2 3.83Å; V286-L332 HydrophobicContact CG2-CG 4.45Å; V286-E333 CarbonylContact C-O 3.46Å; V286-E333 WeakPolarHBondContact CA-O 3.41Å
287K95.3Very high91.4Very high74 Ų7460.8 Ų60.832%0.32230%0.295SS..EExtended strand (participates in β ladder)trans-109.9128.7172.6-178.8-174.7172.5-159.90108.9V289 R300 L332 E333 V335K287-V289 PolarHBondContact O-N 3.28Å; K287-R300 WeakPolarHBondContact CA-O 3.25Å; K287-L332 CarbonylContact O-C 3.59Å; K287-L332 WeakPolarHBondContact O-CA 3.33Å; K287-E333 HydrophobicContact CB-CB 4.39Å; K287-E333 PolarHBondContact N-O 2.89Å; K287-E333 IonicContact NZ-OE2 3.46Å; K287-E333 PolarHBondContact O-N 3.36Å; K287-V335 HydrophobicContact CB-CG2 3.92Å
288I94.7Very high91.7Very high0 Ų054 Ų540%027%0.269CS..EExtended strand (participates in β ladder)trans-81.8113.2178.4-57.6167.3000107.5G299 R300 A302 V316 V318 L332I288-G299 PolarHBondContact O-N 2.92Å; I288-R300 PolarHBondContact N-O 3.03Å; I288-A302 HydrophobicContact CD1-CB 4.13Å; I288-A302 HydrophobicContact CG1-CB 4.45Å; I288-V316 HydrophobicContact CD1-CG2 4.09Å; I288-V318 HydrophobicContact CD1-CG2 4.04Å; I288-L332 HydrophobicContact CB-CD2 4.43Å; I288-L332 HydrophobicContact CG1-CD2 3.76Å
289V93.1Very high91.8Very high80 Ų8055.5 Ų55.549%0.48529%0.287SS..  trans-91.7-35.2-178.3-179.90000111.3K287 S331 E333K287-V289 PolarHBondContact O-N 3.28Å; V289-S331 PolarHBondContact N-O 3.05Å; V289-E333 HydrophobicContact CG2-CB 3.61Å; V289-E333 WeakPolarHBondContact CG2-OE2 3.43Å
290S90.9Very high91.9Very high22 Ų2257 Ų5715%0.15429%0.292CS..  trans-73.8131-173.2-1740000112.3K292 S331S290-K292 PolarHBondContact O-N 2.98Å; S290-K292 WeakPolarHBondContact OG-CB 3.49Å; S290-K292 VanDerWaalsContact OG-CG 3.29Å; S290-K292 WeakPolarHBondContact OG-CG 3.36Å; S290-K292 PolarHBondContact OG-N 2.95Å; S290-S331 VanDerWaalsContact CB-CB 3.42Å; S290-S331 WeakPolarHBondContact CB-OG 3.35Å
291S89.3Confident92Very high76 Ų7662.1 Ų62.153%0.53132%0.315SS..G310 helixtrans-77-2.2171.4-48.80000113.8Y293 G294S291-Y293 VanDerWaalsContact C-N 3.26Å; S291-Y293 PolarHBondContact O-N 3.08Å; S291-G294 PolarHBondContact O-N 2.68Å; S291-G294 VanDerWaalsContact O-N 3.17Å
292K89.5Confident92.1Very high184 Ų18459.8 Ų59.880%0.830%0.304SS*.G310 helixtrans-62.1-30.7-176.9-69.5-179-178.2-176.80113.6S290 G294S290-K292 PolarHBondContact O-N 2.98Å; S290-K292 WeakPolarHBondContact OG-CB 3.49Å; S290-K292 VanDerWaalsContact OG-CG 3.29Å; S290-K292 WeakPolarHBondContact OG-CG 3.36Å; S290-K292 PolarHBondContact OG-N 2.95Å; K292-G294 VanDerWaalsContact C-N 3.33Å
293Y86.5Confident92.2Very high79 Ų7954 Ų5431%0.3128%0.28SS..G310 helixtrans-88.2-3.8-178.6-60.6-83.1000113S291 Y297 D326 V327 H328S291-Y293 VanDerWaalsContact C-N 3.26Å; S291-Y293 PolarHBondContact O-N 3.08Å; Y293-Y297 VanDerWaalsContact O-CD2 3.25Å; Y293-Y297 WeakPolarHBondContact O-CD2 3.39Å; Y293-Y297 WeakPolarHBondContact O-CE2 3.26Å; Y293-D326 WeakPolarHBondContact CE1-O 3.39Å; Y293-V327 HydrophobicContact CD1-CG2 4.22Å; Y293-V327 HydrophobicContact CD2-CG1 4.13Å; Y293-V327 HydrophobicContact CD2-CG2 4.21Å; Y293-V327 HydrophobicContact CE1-CG2 4.21Å; Y293-V327 HydrophobicContact CE2-CB 4.31Å; Y293-V327 HydrophobicContact CE2-CG1 3.62Å; Y293-V327 HydrophobicContact CE2-CG2 4.22Å; Y293-V327 HydrophobicContact CG-CG2 4.21Å; Y293-H328 PolarHBondContact OH-N 3.47Å
294G85.9Confident92.3Very high17 Ų1753.4 Ų53.418%0.17527%0.274CS..  trans128.1139.3-17600000111.6S291 K292 Q296 Y297 A298S291-G294 PolarHBondContact O-N 2.68Å; S291-G294 VanDerWaalsContact O-N 3.17Å; K292-G294 VanDerWaalsContact C-N 3.33Å; G294-Q296 PolarHBondContact O-N 3.19Å; G294-Y297 PolarHBondContact O-N 3.38Å; G294-A298 PolarHBondContact O-N 3.14Å
295K88.4Confident92.3Very high184 Ų18456.5 Ų56.580%0.829%0.293SS*.THydrogen-bonded Turntrans-63.7-24.5177.5-68.5-177.6-180178.30112.1Y297K295-Y297 VanDerWaalsContact C-N 3.28Å; K295-Y297 PolarHBondContact O-N 3.14Å
296Q89.5Confident92.1Very high98 Ų9859 Ų5946%0.45831%0.31SS..THydrogen-bonded Turntrans-67.1-25.417765.1-85.217.400113.5G294 R300G294-Q296 PolarHBondContact O-N 3.19Å; Q296-R300 WeakPolarHBondContact O-CD 3.15Å; Q296-R300 PolarHBondContact O-NE 3.01Å; Q296-R300 VanDerWaalsContact O-NE 3.11Å; Q296-R300 PolarHBondContact O-NH1 2.96Å; Q296-R300 VanDerWaalsContact O-NH1 3.08Å
297Y90.6Very high92Very high23 Ų2360.7 Ų60.79%0.0932%0.321CS..THydrogen-bonded Turntrans-98.8-20.5-178.9-49.8-62.1000113.1Y293 G294 K295 G299 R300 V318 E323 L325Y293-Y297 VanDerWaalsContact O-CD2 3.25Å; Y293-Y297 WeakPolarHBondContact O-CD2 3.39Å; Y293-Y297 WeakPolarHBondContact O-CE2 3.26Å; G294-Y297 PolarHBondContact O-N 3.38Å; K295-Y297 VanDerWaalsContact C-N 3.28Å; K295-Y297 PolarHBondContact O-N 3.14Å; Y297-G299 PolarHBondContact O-N 3.29Å; Y297-R300 WeakPolarHBondContact O-CB 3.27Å; Y297-R300 PolarHBondContact O-N 3.4Å; Y297-V318 HydrophobicContact CD1-CG2 3.9Å; Y297-V318 HydrophobicContact CE1-CG2 4.4Å; Y297-E323 WeakPolarHBondContact CE1-OE2 3.31Å; Y297-E323 PolarHBondContact OH-OE2 3.01Å; Y297-L325 HydrophobicContact CD1-CD1 3.72Å; Y297-L325 HydrophobicContact CD2-CD1 3.56Å; Y297-L325 HydrophobicContact CE1-CD1 3.84Å; Y297-L325 HydrophobicContact CE2-CD1 3.69Å; Y297-L325 HydrophobicContact CE2-CD2 4.11Å; Y297-L325 HydrophobicContact CG-CD1 3.57Å
298A91.8Very high91.9Very high35 Ų3561.9 Ų61.929%0.28933%0.328SS..THydrogen-bonded Turntrans-61.2121.9179.200000110.9G294 R300G294-A298 PolarHBondContact O-N 3.14Å; A298-R300 VanDerWaalsContact C-N 3.34Å
299G91.2Very high91.5Very high43 Ų4367.4 Ų67.444%0.44335%0.354SS..THydrogen-bonded Turntrans88.4-10.8-176.700000115I288 Y297I288-G299 PolarHBondContact O-N 2.92Å; Y297-G299 PolarHBondContact O-N 3.29Å
300R93.8Very high91.2Very high70 Ų7072.8 Ų72.826%0.26437%0.373SS..  trans-78.4154.1177.9-68.1-168.9170.5149.511.3111.8K287 I288 Q296 Y297 A298 V318 E320K287-R300 WeakPolarHBondContact CA-O 3.25Å; I288-R300 PolarHBondContact N-O 3.03Å; Q296-R300 WeakPolarHBondContact O-CD 3.15Å; Q296-R300 PolarHBondContact O-NE 3.01Å; Q296-R300 VanDerWaalsContact O-NE 3.11Å; Q296-R300 PolarHBondContact O-NH1 2.96Å; Q296-R300 VanDerWaalsContact O-NH1 3.08Å; Y297-R300 WeakPolarHBondContact O-CB 3.27Å; Y297-R300 PolarHBondContact O-N 3.4Å; A298-R300 VanDerWaalsContact C-N 3.34Å; R300-V318 HydrophobicContact CB-CG1 4.05Å; R300-E320 WeakPolarHBondContact CD-OE2 3.38Å; R300-E320 IonicContact CZ-OE2 3.54Å; R300-E320 IonicContact NE-OE2 2.83Å; R300-E320 PolarHBondContact NE-OE2 3.09Å; R300-E320 IonicContact NH2-OE2 3.86Å
301K95Very high91Very high112 Ų11278.2 Ų78.249%0.48740%0.396SS..EExtended strand (participates in β ladder)trans-93.2139.3175.4-63177.2-174.4174.90109.6V285 V286 L319 V335V285-K301 HydrophobicContact CG1-CB 4.16Å; V286-K301 CarbonylContact O-C 3.57Å; V286-K301 VanDerWaalsContact O-CA 3.31Å; V286-K301 WeakPolarHBondContact O-CA 3.34Å; K301-L319 HydrophobicContact CB-CD1 4.04Å; K301-L319 PolarHBondContact O-N 3.47Å; K301-V335 HydrophobicContact CD-CG1 4.46Å
302A95.1Very high91Very high0 Ų075.4 Ų75.40%038%0.376CS..EExtended strand (participates in β ladder)trans-135.6155.9179.700000110.3V285 V286 I288 V316 S317 V318V285-A302 CarbonylContact C-O 3.59Å; V285-A302 WeakPolarHBondContact CA-O 3.37Å; V286-A302 HydrophobicContact CG2-CB 4.46Å; V286-A302 PolarHBondContact N-O 2.92Å; V286-A302 PolarHBondContact O-N 3.21Å; I288-A302 HydrophobicContact CD1-CB 4.13Å; I288-A302 HydrophobicContact CG1-CB 4.45Å; A302-V316 HydrophobicContact CB-CB 3.78Å; A302-V316 HydrophobicContact CB-CG2 4.02Å; A302-S317 CarbonylContact C-O 3.59Å; A302-S317 WeakPolarHBondContact CA-O 3.49Å; A302-S317 WeakPolarHBondContact CB-O 3.29Å; A302-V318 HydrophobicContact CB-CG2 4.24Å
303V95.8Very high91.2Very high21 Ų2167.6 Ų67.613%0.12734%0.344CS..EExtended strand (participates in β ladder)trans-103.5133.7175.9-179.20000108.8V285 T305 V316 S317 L319 C393V285-V303 HydrophobicContact CG2-CG2 4.37Å; V303-T305 PolarHBondContact O-N 3Å; V303-V316 CarbonylContact O-C 3.54Å; V303-V316 VanDerWaalsContact O-CA 3.31Å; V303-V316 WeakPolarHBondContact O-CA 3.45Å; V303-S317 PolarHBondContact N-O 3.4Å; V303-S317 PolarHBondContact O-N 2.91Å; V303-S317 PolarHBondContact O-OG 3.38Å; V303-L319 HydrophobicContact CG2-CD1 4.3Å; V303-L319 HydrophobicContact CG2-CD2 3.59Å; V303-L319 HydrophobicContact CG2-CG 3.95Å; V303-C393 HydrophobicContact CG1-CB 4.28Å
304V95.6Very high91.5Very high1 Ų163.9 Ų63.91%0.00633%0.33CS..EExtended strand (participates in β ladder)trans-78.1112.9177.8-179.50000110H281 G283 I284 V286 V307 A314 V316H281-V304 WeakPolarHBondContact O-CB 3.28Å; H281-V304 WeakPolarHBondContact O-CG1 3.14Å; G283-V304 PolarHBondContact N-O 3.45Å; I284-V304 HydrophobicContact CD1-CG2 4.23Å; I284-V304 HydrophobicContact CG1-CB 4.11Å; I284-V304 HydrophobicContact CG1-CG2 3.6Å; I284-V304 PolarHBondContact O-N 2.93Å; V286-V304 HydrophobicContact CG1-CG2 4.01Å; V286-V304 HydrophobicContact CG2-CG2 3.87Å; V304-V307 HydrophobicContact CG1-CG2 3.41Å; V304-V307 VanDerWaalsContact CG1-CG2 3.41Å; V304-A314 HydrophobicContact CG1-CB 3.86Å; V304-V316 HydrophobicContact CG2-CG1 4.03Å
305T93.9Very high92Very high65 Ų6564.3 Ų64.340%0.39933%0.329SS..EExtended strand (participates in β ladder)trans-88.6-43.3-179-49.30000112.2K282 V303 T315K282-T305 WeakPolarHBondContact CD-O 3.46Å; K282-T305 WeakPolarHBondContact CE-O 3.44Å; K282-T305 WeakPolarHBondContact CG-O 3.26Å; V303-T305 PolarHBondContact O-N 3Å; T305-T315 PolarHBondContact N-O 3.44Å
306S93.1Very high92.3Very high54 Ų5455.6 Ų55.638%0.37829%0.291SS..EExtended strand (participates in β ladder)trans-140.3150.9177.235.90000110.2A314 T315S306-A314 WeakPolarHBondContact O-CA 3.3Å; S306-T315 PolarHBondContact O-N 2.83Å; S306-T315 WeakPolarHBondContact OG-CB 3.38Å; S306-T315 PolarHBondContact OG-OG1 3.26Å; S306-T315 VanDerWaalsContact OG-OG1 3.07Å
307V92.9Very high92.5Very high36 Ų3652.1 Ų52.122%0.21828%0.278CS..EExtended strand (participates in β ladder)trans-128.8128.9178.2-178.70000107.6L280 V304 E309 A314L280-V307 HydrophobicContact CB-CG1 3.67Å; L280-V307 HydrophobicContact CB-CG2 4.01Å; V304-V307 HydrophobicContact CG1-CG2 3.41Å; V304-V307 VanDerWaalsContact CG1-CG2 3.41Å; V307-E309 HydrophobicContact CG1-CG 4.48Å; V307-A314 HydrophobicContact CG2-CB 4.4Å
308E92.3Very high92.7Very high100 Ų10051 Ų5147%0.46727%0.274SS..EExtended strand (participates in β ladder)trans-96.5100.9169.7-65.1172.6160.300107.1E310 C312 T313E308-E310 PolarHBondContact O-N 3.22Å; E308-C312 PolarHBondContact O-N 2.92Å; E308-C312 VanDerWaalsContact O-N 3.12Å; E308-T313 WeakPolarHBondContact CB-OG1 3.15Å; E308-T313 PolarHBondContact N-O 3.36Å; E308-T313 PolarHBondContact O-N 3.38Å; E308-T313 PolarHBondContact OE2-OG1 3.48Å
309E86.4Confident92.6Very high116 Ų11653.7 Ų53.754%0.54228%0.282SS..THydrogen-bonded Turntrans-64.9-27.8-172.6-68.3-168.6-169.600113.1R276 V307R276-E309 IonicContact NH1-OE2 2.68Å; R276-E309 PolarHBondContact NH1-OE2 3.4Å; V307-E309 HydrophobicContact CG1-CG 4.48Å
310E87.2Confident92.6Very high193 Ų19358.3 Ų58.390%0.90229%0.292SS*.THydrogen-bonded Turntrans-69.9-43.6-176.6-63.4-174.7-17900112.4E308E308-E310 PolarHBondContact O-N 3.22Å
311E86.9Confident92.3Very high135 Ų13557.6 Ų57.663%0.63130%0.296SS*.THydrogen-bonded Turntrans-97.7-3.4-178.3-63.2-169177.500113.2T313 H328E311-T313 HydrophobicContact CB-CG2 4.09Å; E311-T313 PolarHBondContact O-N 3.05Å; E311-H328 PolarHBondContact O-CD2 3.02Å; E311-H328 VanDerWaalsContact O-CD2 3.22Å; E311-H328 PolarHBondContact O-NE2 3.15Å
312C90.3Very high92Very high17 Ų1758.5 Ų58.512%0.11531%0.306CS..THydrogen-bonded Turntrans54.933.5-172.3-530000112.8C278 L280 E308 Q329C278-C312 HydrophobicContact CB-CB 4.36Å; C278-C312 WeakPolarHBondContact CB-SG 3.48Å; L280-C312 WeakPolarHBondContact CD1-O 3.42Å; E308-C312 PolarHBondContact O-N 2.92Å; E308-C312 VanDerWaalsContact O-N 3.12Å; C312-Q329 HydrophobicContact CB-CB 4.44Å; C312-Q329 HydrophobicContact CB-CG 3.76Å; C312-Q329 PolarHBondContact O-N 3.01Å
313T92.9Very high91.9Very high20 Ų2062.7 Ų62.712%0.12333%0.326CS..EExtended strand (participates in β ladder)trans-98.7143.1174.742.80000109.6E308 E311 H328E308-T313 WeakPolarHBondContact CB-OG1 3.15Å; E308-T313 PolarHBondContact N-O 3.36Å; E308-T313 PolarHBondContact O-N 3.38Å; E308-T313 PolarHBondContact OE2-OG1 3.48Å; E311-T313 HydrophobicContact CB-CG2 4.09Å; E311-T313 PolarHBondContact O-N 3.05Å; T313-H328 HydrophobicContact CG2-CB 4.25Å
314A93.4Very high91.7Very high1 Ų165.5 Ų65.51%0.00835%0.347CS..EExtended strand (participates in β ladder)trans-128.4135.2175.200000110.1L280 V304 S306 V307 V316 V327 L332L280-A314 HydrophobicContact CD1-CB 3.67Å; L280-A314 HydrophobicContact CD2-CB 4.18Å; L280-A314 HydrophobicContact CG-CB 4.4Å; V304-A314 HydrophobicContact CG1-CB 3.86Å; S306-A314 WeakPolarHBondContact O-CA 3.3Å; V307-A314 HydrophobicContact CG2-CB 4.4Å; A314-V316 HydrophobicContact CB-CG1 4.15Å; A314-V316 PolarHBondContact O-N 3.49Å; A314-V327 PolarHBondContact N-O 2.89Å; A314-V327 PolarHBondContact O-N 3.14Å; A314-L332 HydrophobicContact CB-CD1 4.42Å
315T95Very high91.5Very high27 Ų2767.1 Ų67.117%0.16636%0.355CS..EExtended strand (participates in β ladder)trans-78.8113.2165-45.40000107.8T305 S306 L325 D326T305-T315 PolarHBondContact N-O 3.44Å; S306-T315 PolarHBondContact O-N 2.83Å; S306-T315 WeakPolarHBondContact OG-CB 3.38Å; S306-T315 PolarHBondContact OG-OG1 3.26Å; S306-T315 VanDerWaalsContact OG-OG1 3.07Å; T315-L325 CarbonylContact C-O 3.59Å; T315-L325 WeakPolarHBondContact CA-O 3.43Å; T315-D326 WeakPolarHBondContact CA-OD1 3.35Å; T315-D326 VanDerWaalsContact CB-OD1 3.23Å; T315-D326 WeakPolarHBondContact CB-OD1 3.36Å; T315-D326 WeakPolarHBondContact CG2-OD1 3.4Å; T315-D326 PolarHBondContact OG1-OD1 3.19Å
316V94.5Very high91.5Very high0 Ų068.5 Ų68.50%036%0.36CS..EExtended strand (participates in β ladder)trans-110.9133.6-178.3-60.30000110.6V286 I288 A302 V303 V304 A314 S324 L325 V327 L332V286-V316 HydrophobicContact CG2-CG1 3.99Å; I288-V316 HydrophobicContact CD1-CG2 4.09Å; A302-V316 HydrophobicContact CB-CB 3.78Å; A302-V316 HydrophobicContact CB-CG2 4.02Å; V303-V316 CarbonylContact O-C 3.54Å; V303-V316 VanDerWaalsContact O-CA 3.31Å; V303-V316 WeakPolarHBondContact O-CA 3.45Å; V304-V316 HydrophobicContact CG2-CG1 4.03Å; A314-V316 HydrophobicContact CB-CG1 4.15Å; A314-V316 PolarHBondContact O-N 3.49Å; V316-S324 CarbonylContact O-C 3.58Å; V316-S324 WeakPolarHBondContact O-CA 3.34Å; V316-L325 HydrophobicContact CG2-CB 4.25Å; V316-L325 WeakPolarHBondContact CG2-O 3.36Å; V316-L325 PolarHBondContact N-O 3.02Å; V316-L325 PolarHBondContact O-N 3Å; V316-V327 HydrophobicContact CG2-CB 4.3Å; V316-V327 HydrophobicContact CG2-CG2 3.8Å; V316-L332 HydrophobicContact CG1-CD1 4.21Å
317S94.2Very high91.5Very high26 Ų2666 Ų6618%0.18234%0.342CS..EExtended strand (participates in β ladder)trans-97.2118.3170.960.70000110.1A302 V303 L319 E323A302-S317 CarbonylContact C-O 3.59Å; A302-S317 WeakPolarHBondContact CA-O 3.49Å; A302-S317 WeakPolarHBondContact CB-O 3.29Å; V303-S317 PolarHBondContact N-O 3.4Å; V303-S317 PolarHBondContact O-N 2.91Å; V303-S317 PolarHBondContact O-OG 3.38Å; S317-L319 PolarHBondContact O-N 2.81Å; S317-E323 WeakPolarHBondContact CA-O 3.49Å
318V94.2Very high91.6Very high0 Ų066.8 Ų66.80%034%0.343CS..EExtended strand (participates in β ladder)trans-72.3124-178.5-179.30000109.5I288 Y297 R300 A302 E320 T321 D322 E323 L325I288-V318 HydrophobicContact CD1-CG2 4.04Å; Y297-V318 HydrophobicContact CD1-CG2 3.9Å; Y297-V318 HydrophobicContact CE1-CG2 4.4Å; R300-V318 HydrophobicContact CB-CG1 4.05Å; A302-V318 HydrophobicContact CB-CG2 4.24Å; V318-E320 PolarHBondContact O-N 2.8Å; V318-E320 VanDerWaalsContact O-N 3.09Å; V318-T321 PolarHBondContact O-N 2.85Å; V318-D322 WeakPolarHBondContact O-CA 3.09Å; V318-D322 PolarHBondContact O-N 2.93Å; V318-E323 PolarHBondContact N-O 2.85Å; V318-L325 HydrophobicContact CG2-CD1 4.05Å
319L90.6Very high91.7Very high90 Ų9063 Ų6347%0.47133%0.326SS..THydrogen-bonded Turntrans-62.3-21.8-171.5-77.5168.1000115V285 K301 V303 S317V285-L319 HydrophobicContact CG1-CD1 4.26Å; K301-L319 HydrophobicContact CB-CD1 4.04Å; K301-L319 PolarHBondContact O-N 3.47Å; V303-L319 HydrophobicContact CG2-CD1 4.3Å; V303-L319 HydrophobicContact CG2-CD2 3.59Å; V303-L319 HydrophobicContact CG2-CG 3.95Å; S317-L319 PolarHBondContact O-N 2.81Å
320E90.4Very high92Very high140 Ų14066.4 Ų66.465%0.65434%0.339SS*.THydrogen-bonded Turntrans-92.7-31.2-177.8-68.5178.3-177.200113.4R300 V318R300-E320 WeakPolarHBondContact CD-OE2 3.38Å; R300-E320 IonicContact CZ-OE2 3.54Å; R300-E320 IonicContact NE-OE2 2.83Å; R300-E320 PolarHBondContact NE-OE2 3.09Å; R300-E320 IonicContact NH2-OE2 3.86Å; V318-E320 PolarHBondContact O-N 2.8Å; V318-E320 VanDerWaalsContact O-N 3.09Å
321T88.9Confident92.3Very high55 Ų5557.9 Ų57.934%0.33730%0.3SS..THydrogen-bonded Turntrans-113.5-11.4-173.644.80000113.3V318 E323V318-T321 PolarHBondContact O-N 2.85Å; T321-E323 PolarHBondContact O-N 2.97Å; T321-E323 VanDerWaalsContact O-N 3.07Å
322D88.3Confident92.7Very high131 Ų13152.1 Ų52.170%0.70127%0.274SS*.  trans53.819-171.9-71.8-35.5000114.4V318V318-D322 WeakPolarHBondContact O-CA 3.09Å; V318-D322 PolarHBondContact O-N 2.93Å
323E92.2Very high92.9Very high88 Ų8855.8 Ų55.841%0.41129%0.289SS..  trans-80.4135.9175.7-70.4172.417900110.4Y297 S317 V318 T321Y297-E323 WeakPolarHBondContact CE1-OE2 3.31Å; Y297-E323 PolarHBondContact OH-OE2 3.01Å; S317-E323 WeakPolarHBondContact CA-O 3.49Å; V318-E323 PolarHBondContact N-O 2.85Å; T321-E323 PolarHBondContact O-N 2.97Å; T321-E323 VanDerWaalsContact O-N 3.07Å
324S92Very high93Very high81 Ų8155.6 Ų55.657%0.56629%0.288SS*.EExtended strand (participates in β ladder)trans-95.1131.3178.1-59.80000110.6V316V316-S324 CarbonylContact O-C 3.58Å; V316-S324 WeakPolarHBondContact O-CA 3.34Å
325L92.1Very high93.1Very high34 Ų3456.2 Ų56.218%0.17829%0.292CS..EExtended strand (participates in β ladder)trans-134.8139.1-179.3-63.5165.3000110Y297 T315 V316 V318 V327Y297-L325 HydrophobicContact CD1-CD1 3.72Å; Y297-L325 HydrophobicContact CD2-CD1 3.56Å; Y297-L325 HydrophobicContact CE1-CD1 3.84Å; Y297-L325 HydrophobicContact CE2-CD1 3.69Å; Y297-L325 HydrophobicContact CE2-CD2 4.11Å; Y297-L325 HydrophobicContact CG-CD1 3.57Å; T315-L325 CarbonylContact C-O 3.59Å; T315-L325 WeakPolarHBondContact CA-O 3.43Å; V316-L325 HydrophobicContact CG2-CB 4.25Å; V316-L325 WeakPolarHBondContact CG2-O 3.36Å; V316-L325 PolarHBondContact N-O 3.02Å; V316-L325 PolarHBondContact O-N 3Å; V318-L325 HydrophobicContact CG2-CD1 4.05Å; L325-V327 HydrophobicContact CB-CG2 4.03Å
326D93.5Very high93.1Very high95 Ų9557.1 Ų57.151%0.50830%0.295SS..EExtended strand (participates in β ladder)trans-90.2111.5172-61.6-38.2000110Y293 T315Y293-D326 WeakPolarHBondContact CE1-O 3.39Å; T315-D326 WeakPolarHBondContact CA-OD1 3.35Å; T315-D326 VanDerWaalsContact CB-OD1 3.23Å; T315-D326 WeakPolarHBondContact CB-OD1 3.36Å; T315-D326 WeakPolarHBondContact CG2-OD1 3.4Å; T315-D326 PolarHBondContact OG1-OD1 3.19Å
327V93.9Very high93.1Very high0 Ų057.8 Ų57.80%030%0.299CS..EExtended strand (participates in β ladder)trans-123.7131.7-172.3-177.60000110Y293 A314 V316 L325 L332Y293-V327 HydrophobicContact CD1-CG2 4.22Å; Y293-V327 HydrophobicContact CD2-CG1 4.13Å; Y293-V327 HydrophobicContact CD2-CG2 4.21Å; Y293-V327 HydrophobicContact CE1-CG2 4.21Å; Y293-V327 HydrophobicContact CE2-CB 4.31Å; Y293-V327 HydrophobicContact CE2-CG1 3.62Å; Y293-V327 HydrophobicContact CE2-CG2 4.22Å; Y293-V327 HydrophobicContact CG-CG2 4.21Å; A314-V327 PolarHBondContact N-O 2.89Å; A314-V327 PolarHBondContact O-N 3.14Å; V316-V327 HydrophobicContact CG2-CB 4.3Å; V316-V327 HydrophobicContact CG2-CG2 3.8Å; L325-V327 HydrophobicContact CB-CG2 4.03Å; V327-L332 HydrophobicContact CB-CD1 4.4Å; V327-L332 HydrophobicContact CB-CD2 4.19Å; V327-L332 HydrophobicContact CB-CG 4.36Å; V327-L332 HydrophobicContact CG1-CD1 4.24Å; V327-L332 HydrophobicContact CG1-CD2 3.64Å; V327-L332 HydrophobicContact CG1-CG 3.72Å
328H94.3Very high93.1Very high54 Ų5459.9 Ų59.925%0.2532%0.318CS..EExtended strand (participates in β ladder)trans-74.3144.4175.8-176.5-85.6000111.4Y293 E311 T313 K330 S331Y293-H328 PolarHBondContact OH-N 3.47Å; E311-H328 PolarHBondContact O-CD2 3.02Å; E311-H328 VanDerWaalsContact O-CD2 3.22Å; E311-H328 PolarHBondContact O-NE2 3.15Å; T313-H328 HydrophobicContact CG2-CB 4.25Å; H328-K330 PolarHBondContact ND1-N 3.35Å; H328-K330 PolarHBondContact O-N 2.89Å; H328-S331 WeakPolarHBondContact O-CB 3.31Å; H328-S331 PolarHBondContact O-N 3.44Å
329Q93.1Very high93.1Very high21 Ų2164 Ų6410%0.09834%0.34CS..G310 helixtrans-50.8-35.8-175.466.2171.8-400115.1E277 W279 L280 C312 S331 L332E277-Q329 PolarHBondContact O-NE2 3.41Å; E277-Q329 PolarHBondContact O-OE1 3.4Å; W279-Q329 HydrophobicContact CZ2-CB 4.4Å; L280-Q329 HydrophobicContact CD1-CB 3.62Å; L280-Q329 HydrophobicContact CG-CB 3.92Å; C312-Q329 HydrophobicContact CB-CB 4.44Å; C312-Q329 HydrophobicContact CB-CG 3.76Å; C312-Q329 PolarHBondContact O-N 3.01Å; Q329-S331 PolarHBondContact O-N 3.33Å; Q329-S331 VanDerWaalsContact O-N 3.11Å; Q329-L332 PolarHBondContact O-N 3.47Å
330K93.1Very high93.2Very high186 Ų18665.7 Ų65.781%0.80935%0.349SS*.G310 helixtrans-60.8-18.9177.3-72175.7-178.81760114.2H328H328-K330 PolarHBondContact ND1-N 3.35Å; H328-K330 PolarHBondContact O-N 2.89Å
331S94.1Very high93.4Very high14 Ų1465 Ų6510%0.09834%0.344CS..G310 helixtrans-98-0.3178.6-640000112.8V289 S290 H328 Q329V289-S331 PolarHBondContact N-O 3.05Å; S290-S331 VanDerWaalsContact CB-CB 3.42Å; S290-S331 WeakPolarHBondContact CB-OG 3.35Å; H328-S331 WeakPolarHBondContact O-CB 3.31Å; H328-S331 PolarHBondContact O-N 3.44Å; Q329-S331 PolarHBondContact O-N 3.33Å; Q329-S331 VanDerWaalsContact O-N 3.11Å
332L94.3Very high93.7Very high14 Ų1463.4 Ų63.47%0.07334%0.335CS..EExtended strand (participates in β ladder)trans-112.7145.5-178.1-62174.3000110W279 L280 V286 K287 I288 A314 V316 V327 Q329W279-L332 HydrophobicContact CH2-CB 4Å; W279-L332 HydrophobicContact CZ2-CB 4.12Å; L280-L332 HydrophobicContact CD2-CD1 3.72Å; V286-L332 HydrophobicContact CB-CB 4.33Å; V286-L332 HydrophobicContact CB-CD2 4.27Å; V286-L332 HydrophobicContact CG2-CD1 4.21Å; V286-L332 HydrophobicContact CG2-CD2 3.83Å; V286-L332 HydrophobicContact CG2-CG 4.45Å; K287-L332 CarbonylContact O-C 3.59Å; K287-L332 WeakPolarHBondContact O-CA 3.33Å; I288-L332 HydrophobicContact CB-CD2 4.43Å; I288-L332 HydrophobicContact CG1-CD2 3.76Å; A314-L332 HydrophobicContact CB-CD1 4.42Å; V316-L332 HydrophobicContact CG1-CD1 4.21Å; V327-L332 HydrophobicContact CB-CD1 4.4Å; V327-L332 HydrophobicContact CB-CD2 4.19Å; V327-L332 HydrophobicContact CB-CG 4.36Å; V327-L332 HydrophobicContact CG1-CD1 4.24Å; V327-L332 HydrophobicContact CG1-CD2 3.64Å; V327-L332 HydrophobicContact CG1-CG 3.72Å; Q329-L332 PolarHBondContact O-N 3.47Å
333E94.7Very high94.1Very high94 Ų9457.2 Ų57.244%0.43930%0.301SS..EExtended strand (participates in β ladder)trans-120.9143.3173.4-173.8-172.8172.100108.2V286 K287 V289V286-E333 CarbonylContact C-O 3.46Å; V286-E333 WeakPolarHBondContact CA-O 3.41Å; K287-E333 HydrophobicContact CB-CB 4.39Å; K287-E333 PolarHBondContact N-O 2.89Å; K287-E333 IonicContact NZ-OE2 3.46Å; K287-E333 PolarHBondContact O-N 3.36Å; V289-E333 HydrophobicContact CG2-CB 3.61Å; V289-E333 WeakPolarHBondContact CG2-OE2 3.43Å
334T95.7Very high94.2Very high17 Ų1753.3 Ų53.310%0.10428%0.283CS..EExtended strand (participates in β ladder)trans-67.7151.5174.354.80000110.5W279 V346 Y386 I389W279-T334 HydrophobicContact CE3-CG2 4Å; W279-T334 HydrophobicContact CH2-CG2 3.99Å; W279-T334 HydrophobicContact CZ3-CG2 3.59Å; T334-V346 HydrophobicContact CG2-CG2 4.41Å; T334-Y386 PolarHBondContact OG1-O 3.08Å; T334-I389 VanDerWaalsContact CB-O 3.27Å; T334-I389 WeakPolarHBondContact CB-O 3.46Å
335V95.2Very high94.3Very high14 Ų1449.5 Ų49.59%0.08526%0.257CS..  trans-113114.4179.51770000109.2V285 K287 K301 S390 K391V285-V335 HydrophobicContact CG1-CB 4.38Å; V285-V335 HydrophobicContact CG1-CG2 4.28Å; K287-V335 HydrophobicContact CB-CG2 3.92Å; K301-V335 HydrophobicContact CD-CG1 4.46Å; V335-S390 PolarHBondContact N-OG 3.41Å; V335-S390 VanDerWaalsContact N-OG 3.1Å; V335-K391 WeakPolarHBondContact O-CB 3.43Å; V335-K391 PolarHBondContact O-N 3.49Å
336I95Very high94.4Very high45 Ų4547.9 Ų47.923%0.23125%0.248CC..  trans-81.5120.8174.3-53.1-56.4000109.3L357 I360 Y386 I389I336-L357 HydrophobicContact CG2-CD2 3.56Å; I336-I360 HydrophobicContact CG2-CD1 3.93Å; I336-I360 HydrophobicContact CG2-CG1 4.43Å; I336-Y386 HydrophobicContact CD1-CD1 4.19Å; I336-Y386 HydrophobicContact CD1-CG 4.26Å; I336-Y386 HydrophobicContact CG1-CD1 4.13Å; I336-Y386 HydrophobicContact CG1-CD2 4.46Å; I336-Y386 HydrophobicContact CG1-CG 4.02Å; I336-I389 HydrophobicContact CD1-CB 4.37Å; I336-I389 WeakPolarHBondContact CD1-O 3.49Å
337P94.5Very high94.3Very high14 Ų1444 Ų449%0.09123%0.227CC..  trans-78177.7178.134.2-35000111.8K341 V343 L357 K391P337-K341 HydrophobicContact CB-CB 3.72Å; P337-K341 HydrophobicContact CB-CG 4.23Å; P337-K341 HydrophobicContact CG-CB 3.87Å; P337-V343 VanDerWaalsContact CD-CG1 3.42Å; P337-V343 HydrophobicContact CG-CG1 3.32Å; P337-L357 HydrophobicContact CG-CD2 4.29Å; P337-L357 VanDerWaalsContact O-CD2 3.23Å; P337-L357 WeakPolarHBondContact O-CD2 3.4Å; P337-K391 HydrophobicContact CB-CB 4.07Å; P337-K391 HydrophobicContact CB-CD 4.02Å; P337-K391 HydrophobicContact CB-CG 3.89Å; P337-K391 HydrophobicContact CG-CB 4.08Å; P337-K391 HydrophobicContact CG-CG 4.24Å
338A94.1Very high94Very high70 Ų7044 Ų4458%0.57923%0.228SC*.  trans-62.1158.9169.900000111.6K341A338-K341 HydrophobicContact CB-CG 4.37Å; A338-K341 VanDerWaalsContact O-CB 3.31Å; A338-K341 WeakPolarHBondContact O-CB 3.22Å; A338-K341 WeakPolarHBondContact O-CG 3.37Å; A338-K341 PolarHBondContact O-N 3.39Å
339L93.9Very high93.6Very high88 Ų8842.1 Ų42.146%0.46122%0.222SC..THydrogen-bonded Turntrans-52.1147.1175.3-56.5179.3000111.2K341 L357 I360L339-K341 PolarHBondContact O-N 2.84Å; L339-L357 HydrophobicContact CD2-CG 4.42Å; L339-I360 HydrophobicContact CD2-CD1 3.73Å; L339-I360 HydrophobicContact CD2-CG1 3.7Å
340N93.6Very high93.4Very high124 Ų12442.1 Ų42.166%0.66322%0.221SC*.THydrogen-bonded Turntrans65.311.7-177.5-55.9-51.8000116.1L357N340-L357 WeakPolarHBondContact CA-O 3.25Å; N340-L357 PolarHBondContact N-O 3.37Å
341K94.9Very high93.3Very high126 Ų12635.6 Ų35.655%0.54819%0.191SC..  trans-89160.4170.3-63.7-65-177.11790111.6P337 A338 L339 T356 L357P337-K341 HydrophobicContact CB-CB 3.72Å; P337-K341 HydrophobicContact CB-CG 4.23Å; P337-K341 HydrophobicContact CG-CB 3.87Å; A338-K341 HydrophobicContact CB-CG 4.37Å; A338-K341 VanDerWaalsContact O-CB 3.31Å; A338-K341 WeakPolarHBondContact O-CB 3.22Å; A338-K341 WeakPolarHBondContact O-CG 3.37Å; A338-K341 PolarHBondContact O-N 3.39Å; L339-K341 PolarHBondContact O-N 2.84Å; K341-T356 WeakPolarHBondContact O-CA 3.18Å; K341-L357 PolarHBondContact O-N 3.21Å; K341-L357 VanDerWaalsContact O-N 3.17Å
342T94.9Very high93.1Very high22 Ų2236.8 Ų36.814%0.13521%0.206CC..EExtended strand (participates in β ladder)trans-77.8132.6177.8-50.40000110.1K354 A355 K372 W392T342-K354 HydrophobicContact CG2-CB 4.42Å; T342-A355 CarbonylContact C-O 3.57Å; T342-A355 WeakPolarHBondContact CA-O 3.38Å; T342-K372 HydrophobicContact CG2-CD 4.47Å; T342-K372 PolarHBondContact OG1-NZ 3.2Å; T342-W392 HydrophobicContact CG2-CB 4.2Å; T342-W392 HydrophobicContact CG2-CG 4.49Å; T342-W392 PolarHBondContact O-N 2.85Å
343V96.1Very high93Very high0 Ų037.4 Ų37.40%021%0.211CC..EExtended strand (participates in β ladder)trans-125.4155.6175.2-66.20000109.6P337 K354 A355 L357 I369 I389 S390P337-V343 VanDerWaalsContact CD-CG1 3.42Å; P337-V343 HydrophobicContact CG-CG1 3.32Å; V343-K354 WeakPolarHBondContact O-CA 3.5Å; V343-A355 HydrophobicContact CG2-CB 4.06Å; V343-A355 PolarHBondContact N-O 2.69Å; V343-A355 PolarHBondContact O-N 3.31Å; V343-L357 HydrophobicContact CG1-CB 4.28Å; V343-I369 HydrophobicContact CG2-CG2 4.06Å; V343-I389 HydrophobicContact CB-CG2 3.44Å; V343-I389 VanDerWaalsContact CB-CG2 3.44Å; V343-I389 HydrophobicContact CG1-CG2 3.88Å; V343-I389 HydrophobicContact CG2-CG2 3.58Å; V343-S390 CarbonylContact C-O 3.45Å; V343-S390 VanDerWaalsContact CA-O 3.29Å; V343-S390 WeakPolarHBondContact CA-O 3.28Å; V343-S390 WeakPolarHBondContact CB-O 3.3Å
344L95.2Very high93Very high6 Ų635.7 Ų35.73%0.03120%0.202CC..EExtended strand (participates in β ladder)trans-107.1132.9170.3-171.278.1000108.8H281 I284 V346 K354 I389 S390 W392H281-L344 HydrophobicContact CB-CD2 3.55Å; I284-L344 HydrophobicContact CG2-CB 4.08Å; I284-L344 HydrophobicContact CG2-CD2 3.53Å; I284-L344 HydrophobicContact CG2-CG 4.44Å; L344-V346 PolarHBondContact O-N 3.37Å; L344-K354 HydrophobicContact CD1-CG 3.95Å; L344-I389 WeakPolarHBondContact O-CA 3.17Å; L344-S390 PolarHBondContact N-O 3.07Å; L344-S390 PolarHBondContact O-N 3.46Å; L344-W392 HydrophobicContact CB-CB 4.46Å; L344-W392 HydrophobicContact CB-CE3 3.88Å; L344-W392 HydrophobicContact CD1-CE3 4.09Å; L344-W392 HydrophobicContact CD1-CZ3 4.27Å; L344-W392 HydrophobicContact CD2-CE3 3.89Å; L344-W392 HydrophobicContact CD2-CZ3 3.83Å; L344-W392 HydrophobicContact CG-CE3 4.17Å; L344-W392 HydrophobicContact CG-CZ3 4.47Å
345V94.8Very high93Very high2 Ų234.9 Ų34.91%0.01220%0.197CC..EExtended strand (participates in β ladder)trans-78110.5170.1-178.30000108.1N347 R351 G352 S353 I369 D388V345-N347 WeakPolarHBondContact CG1-O 3.21Å; V345-R351 WeakPolarHBondContact O-CA 3.47Å; V345-G352 PolarHBondContact O-N 3.09Å; V345-S353 PolarHBondContact N-O 3.23Å; V345-I369 HydrophobicContact CG2-CD1 3.34Å; V345-D388 CarbonylContact C-O 3.54Å; V345-D388 WeakPolarHBondContact CA-O 3.35Å
346V93.3Very high93Very high0 Ų035.2 Ų35.20%020%0.199CC..  trans-86.3-26.8-175-71.50000112.7W279 I284 T334 L344 R351 E387 D388W279-V346 HydrophobicContact CB-CB 4.41Å; W279-V346 HydrophobicContact CB-CG2 4.38Å; W279-V346 HydrophobicContact CE3-CB 4.42Å; W279-V346 HydrophobicContact CE3-CG1 4.48Å; W279-V346 HydrophobicContact CE3-CG2 4.24Å; W279-V346 VanDerWaalsContact O-CB 3.29Å; W279-V346 WeakPolarHBondContact O-CB 3.48Å; I284-V346 HydrophobicContact CD1-CG1 4.02Å; I284-V346 HydrophobicContact CG2-CG1 4.27Å; T334-V346 HydrophobicContact CG2-CG2 4.41Å; L344-V346 PolarHBondContact O-N 3.37Å; V346-R351 WeakPolarHBondContact O-CD 3.38Å; V346-R351 WeakPolarHBondContact O-CG 3.41Å; V346-R351 PolarHBondContact O-NE 2.95Å; V346-E387 VanDerWaalsContact CG2-O 3.23Å; V346-E387 WeakPolarHBondContact CG2-O 3.2Å; V346-D388 VanDerWaalsContact CG2-O 3.28Å; V346-D388 WeakPolarHBondContact CG2-O 3.25Å; V346-D388 PolarHBondContact N-O 2.89Å
347N91.7Very high93Very high12 Ų1233.1 Ų33.16%0.06419%0.188CC..SBendtrans-144.1170.3178.7-141.4-12.4000112.6R275 R276 V345 D388R275-N347 VanDerWaalsContact CA-OD1 3.3Å; R275-N347 WeakPolarHBondContact CA-OD1 3.49Å; R276-N347 PolarHBondContact N-OD1 3.16Å; R276-N347 PolarHBondContact O-ND2 2.85Å; V345-N347 WeakPolarHBondContact CG1-O 3.21Å; N347-D388 HydrophobicContact CB-CB 4.34Å; N347-D388 VanDerWaalsContact CB-OD1 3.28Å; N347-D388 WeakPolarHBondContact CB-OD1 3.36Å
348G87.7Confident93Very high2 Ų235 Ų352%0.02120%0.196CC..SBendtrans82.8-164.7179.200000114.9E271 N274 Y350 R351E271-G348 WeakPolarHBondContact OE1-CA 3.46Å; E271-G348 VanDerWaalsContact OE2-C 3.31Å; E271-G348 WeakPolarHBondContact OE2-CA 3.42Å; N274-G348 WeakPolarHBondContact CB-O 3.1Å; G348-Y350 PolarHBondContact O-N 2.95Å; G348-R351 WeakPolarHBondContact O-CB 3.46Å; G348-R351 PolarHBondContact O-N 3.38Å
349A86.7Confident93Very high14 Ų1434.4 Ų34.412%0.11619%0.188CC..THydrogen-bonded Turntrans-58.3-29.3-166.900000113.2K270 E271 N274K270-A349 HydrophobicContact CB-CB 3.85Å; E271-A349 HydrophobicContact CB-CB 4.44Å; E271-A349 PolarHBondContact OE2-N 2.72Å; N274-A349 PolarHBondContact ND2-O 3.23Å
350Y88.9Confident93Very high20 Ų2033.1 Ų33.18%0.07818%0.181CC..THydrogen-bonded Turntrans-107.618.1-176.9-55.7-77.7000113.8E267 G348 G352 S353 I371 T376 R379 V381E267-Y350 PolarHBondContact OE1-OH 2.99Å; G348-Y350 PolarHBondContact O-N 2.95Å; Y350-G352 PolarHBondContact O-N 3.01Å; Y350-S353 WeakPolarHBondContact O-CB 3.39Å; Y350-S353 PolarHBondContact O-N 3.2Å; Y350-S353 PolarHBondContact O-OG 3.15Å; Y350-I371 HydrophobicContact CD1-CD1 3.23Å; Y350-I371 HydrophobicContact CD2-CD1 4.3Å; Y350-I371 HydrophobicContact CE1-CD1 3.47Å; Y350-I371 VanDerWaalsContact CE1-CD1 3.47Å; Y350-I371 HydrophobicContact CG-CD1 3.68Å; Y350-T376 HydrophobicContact CE1-CG2 4.19Å; Y350-R379 WeakPolarHBondContact OH-CD 3.42Å; Y350-R379 PolarHBondContact OH-NE 3.37Å; Y350-R379 PolarHBondContact OH-NH1 3.47Å; Y350-V381 HydrophobicContact CD2-CG1 4.26Å; Y350-V381 HydrophobicContact CD2-CG2 4.04Å; Y350-V381 HydrophobicContact CE2-CB 4.33Å; Y350-V381 HydrophobicContact CE2-CG1 3.84Å; Y350-V381 HydrophobicContact CE2-CG2 3.52Å
351R90.1Very high93Very high50 Ų5029.5 Ų29.519%0.18916%0.161CC..THydrogen-bonded Turntrans-42.8128.1178-178.6166.8-170.2-108.83.7112.6N274 C278 V345 V346 G348 S353N274-R351 HydrophobicContact CB-CB 4.36Å; N274-R351 VanDerWaalsContact O-CD 3.32Å; N274-R351 WeakPolarHBondContact O-CD 3.43Å; C278-R351 PolarHBondContact O-NH2 3.46Å; C278-R351 VanDerWaalsContact O-NH2 3.1Å; V345-R351 WeakPolarHBondContact O-CA 3.47Å; V346-R351 WeakPolarHBondContact O-CD 3.38Å; V346-R351 WeakPolarHBondContact O-CG 3.41Å; V346-R351 PolarHBondContact O-NE 2.95Å; G348-R351 WeakPolarHBondContact O-CB 3.46Å; G348-R351 PolarHBondContact O-N 3.38Å; R351-S353 VanDerWaalsContact C-N 3.35Å
352G90.3Very high92.9Very high39 Ų3928.3 Ų28.340%0.40217%0.165SC..THydrogen-bonded Turntrans85.5-4.6-178.400000115.2V345 Y350V345-G352 PolarHBondContact O-N 3.09Å; Y350-G352 PolarHBondContact O-N 3.01Å
353S92.5Very high92.7Very high26 Ų2634.3 Ų34.318%0.18220%0.196CC..  trans-84.6136.4179.3-52.80000111.4V345 Y350 R351V345-S353 PolarHBondContact N-O 3.23Å; Y350-S353 WeakPolarHBondContact O-CB 3.39Å; Y350-S353 PolarHBondContact O-N 3.2Å; Y350-S353 PolarHBondContact O-OG 3.15Å; R351-S353 VanDerWaalsContact C-N 3.35Å
354K94.4Very high92.5Very high58 Ų5841.3 Ų41.325%0.25222%0.222SC..EExtended strand (participates in β ladder)trans-80.7138.7169.8-61.4-175.5-165.8161.80110.3T342 V343 L344 K372 E373T342-K354 HydrophobicContact CG2-CB 4.42Å; V343-K354 WeakPolarHBondContact O-CA 3.5Å; L344-K354 HydrophobicContact CD1-CG 3.95Å; K354-K372 PolarHBondContact O-N 3.15Å; K354-E373 HydrophobicContact CB-CG 4.49Å; K354-E373 WeakPolarHBondContact CD-OE2 3.42Å; K354-E373 IonicContact NZ-OE1 3.45Å; K354-E373 IonicContact NZ-OE2 3.61Å; K354-E373 PolarHBondContact O-N 2.89Å
355A94.9Very high92.3Very high0 Ų048.8 Ų48.80%025%0.251CS..EExtended strand (participates in β ladder)trans-140.9167.5-178.800000112.1T342 V343 I369 R370T342-A355 CarbonylContact C-O 3.57Å; T342-A355 WeakPolarHBondContact CA-O 3.38Å; V343-A355 HydrophobicContact CG2-CB 4.06Å; V343-A355 PolarHBondContact N-O 2.69Å; V343-A355 PolarHBondContact O-N 3.31Å; A355-I369 HydrophobicContact CB-CB 3.97Å; A355-I369 HydrophobicContact CB-CD1 3.72Å; A355-I369 HydrophobicContact CB-CG1 4.2Å; A355-R370 CarbonylContact C-O 3.59Å; A355-R370 WeakPolarHBondContact CA-O 3.47Å; A355-R370 VanDerWaalsContact CB-O 3.31Å; A355-R370 WeakPolarHBondContact CB-O 3.46Å
356T95.9Very high92.3Very high22 Ų2249 Ų4914%0.13525%0.252CS..EExtended strand (participates in β ladder)trans-105.3134.3168.239.50000110.4K341 I369 R370 K372K341-T356 WeakPolarHBondContact O-CA 3.18Å; T356-I369 CarbonylContact O-C 3.44Å; T356-I369 VanDerWaalsContact O-CA 3.29Å; T356-I369 WeakPolarHBondContact O-CA 3.34Å; T356-R370 PolarHBondContact N-O 3.07Å; T356-R370 PolarHBondContact O-N 2.87Å; T356-R370 PolarHBondContact OG1-O 3.4Å; T356-K372 HydrophobicContact CG2-CD 3.66Å; T356-K372 HydrophobicContact CG2-CG 4.01Å; T356-K372 VanDerWaalsContact CG2-NZ 3.31Å
357L95.3Very high92.3Very high0 Ų049.1 Ų49.10%025%0.253CS..EExtended strand (participates in β ladder)trans-75.4121.2173.9-170.665.2000110.5I336 P337 L339 N340 K341 V343 I360 A367 I369I336-L357 HydrophobicContact CG2-CD2 3.56Å; P337-L357 HydrophobicContact CG-CD2 4.29Å; P337-L357 VanDerWaalsContact O-CD2 3.23Å; P337-L357 WeakPolarHBondContact O-CD2 3.4Å; L339-L357 HydrophobicContact CD2-CG 4.42Å; N340-L357 WeakPolarHBondContact CA-O 3.25Å; N340-L357 PolarHBondContact N-O 3.37Å; K341-L357 PolarHBondContact O-N 3.21Å; K341-L357 VanDerWaalsContact O-N 3.17Å; V343-L357 HydrophobicContact CG1-CB 4.28Å; L357-I360 HydrophobicContact CD1-CG1 4.22Å; L357-I360 HydrophobicContact CD2-CD1 3.71Å; L357-I360 HydrophobicContact CD2-CG1 3.86Å; L357-I360 HydrophobicContact CG-CD1 4.47Å; L357-I360 HydrophobicContact CG-CG1 4.13Å; L357-A367 HydrophobicContact CD1-CB 3.58Å; L357-I369 HydrophobicContact CD1-CG2 3.94Å
358E94.2Very high92.5Very high54 Ų5449.5 Ų49.525%0.25226%0.256SS..EExtended strand (participates in β ladder)trans-101.7-48.2-177.4-55.4-146.7112.700112.5T368 R370E358-T368 HydrophobicContact CB-CG2 4.32Å; E358-T368 PolarHBondContact N-O 3Å; E358-R370 VanDerWaalsContact CD-NH2 3.25Å; E358-R370 HydrophobicContact CG-CB 4.05Å; E358-R370 IonicContact OE1-CZ 3.73Å; E358-R370 IonicContact OE1-NE 2.7Å; E358-R370 PolarHBondContact OE1-NE 3.17Å; E358-R370 IonicContact OE1-NH1 3.15Å; E358-R370 PolarHBondContact OE1-NH1 2.73Å; E358-R370 IonicContact OE1-NH2 3.32Å; E358-R370 PolarHBondContact OE1-NH2 2.91Å; E358-R370 IonicContact OE2-CZ 2.79Å; E358-R370 IonicContact OE2-NE 3.86Å; E358-R370 PolarHBondContact OE2-NE 3.45Å; E358-R370 IonicContact OE2-NH2 3.71Å; E358-R370 PolarHBondContact OE2-NH2 3.29Å; E358-R370 VanDerWaalsContact OE2-NH2 3.07Å
359S94.3Very high92.8Very high57 Ų5749.4 Ų49.440%0.39926%0.255SS..EExtended strand (participates in β ladder)trans-143.4157.5177.466.10000110.8A367 T368S359-A367 WeakPolarHBondContact O-CA 3.06Å; S359-T368 PolarHBondContact N-O 3.19Å; S359-T368 PolarHBondContact O-N 3.31Å; S359-T368 VanDerWaalsContact OG-CB 3.31Å; S359-T368 WeakPolarHBondContact OG-CB 3.32Å
360I94.2Very high93.2Very high62 Ų6253.9 Ų53.932%0.31827%0.269SS..EExtended strand (participates in β ladder)trans-129.2126.4-178.3-61.5171.3000106.1I336 L339 L357 V362 Y386I336-I360 HydrophobicContact CG2-CD1 3.93Å; I336-I360 HydrophobicContact CG2-CG1 4.43Å; L339-I360 HydrophobicContact CD2-CD1 3.73Å; L339-I360 HydrophobicContact CD2-CG1 3.7Å; L357-I360 HydrophobicContact CD1-CG1 4.22Å; L357-I360 HydrophobicContact CD2-CD1 3.71Å; L357-I360 HydrophobicContact CD2-CG1 3.86Å; L357-I360 HydrophobicContact CG-CD1 4.47Å; L357-I360 HydrophobicContact CG-CG1 4.13Å; I360-V362 HydrophobicContact CG2-CG2 4.24Å; I360-Y386 HydrophobicContact CG2-CE1 4.02Å; I360-Y386 WeakPolarHBondContact CG2-OH 3.49Å
361D93.1Very high93.4Very high48 Ų4853 Ų5326%0.25727%0.266SS..EExtended strand (participates in β ladder)trans-107.7100.2173.7-172.2-20.9000108.4D363 R364 Y365 C366 Y386D361-D363 VanDerWaalsContact C-N 3.3Å; D361-D363 PolarHBondContact O-N 3.02Å; D361-D363 PolarHBondContact OD1-N 3.46Å; D361-R364 PolarHBondContact OD1-N 3.26Å; D361-R364 IonicContact OD2-CZ 3.67Å; D361-R364 IonicContact OD2-NE 2.78Å; D361-R364 PolarHBondContact OD2-NE 3.4Å; D361-R364 IonicContact OD2-NH2 2.77Å; D361-R364 PolarHBondContact OD2-NH2 3.02Å; D361-Y365 PolarHBondContact O-N 3.29Å; D361-C366 WeakPolarHBondContact CA-O 3.16Å; D361-C366 PolarHBondContact N-O 3.34Å; D361-C366 PolarHBondContact O-N 3.21Å; D361-C366 VanDerWaalsContact O-N 3.16Å; D361-Y386 VanDerWaalsContact C-OH 3.24Å; D361-Y386 PolarHBondContact O-OH 2.91Å
362V91.8Very high93.5Very high101 Ų10154.8 Ų54.861%0.61228%0.275SS*.THydrogen-bonded Turntrans-68.7-31.8-172.7-176.80000111.4I360 R364 Y386I360-V362 HydrophobicContact CG2-CG2 4.24Å; V362-R364 PolarHBondContact O-N 3.17Å; V362-Y386 WeakPolarHBondContact CA-OH 3.25Å
363D92.1Very high93.3Very high148 Ų14857.7 Ų57.779%0.79128%0.278SS*.THydrogen-bonded Turntrans-71.7-34.1-175.5-62.6-30000111.5D361D361-D363 VanDerWaalsContact C-N 3.3Å; D361-D363 PolarHBondContact O-N 3.02Å; D361-D363 PolarHBondContact OD1-N 3.46Å
364R91.1Very high92.7Very high146 Ų14659 Ų5955%0.55130%0.296SS*.THydrogen-bonded Turntrans-100.52.8-179.1-65.4-171.5-68.6150.25.7113.8D361 V362 C366 N383D361-R364 PolarHBondContact OD1-N 3.26Å; D361-R364 IonicContact OD2-CZ 3.67Å; D361-R364 IonicContact OD2-NE 2.78Å; D361-R364 PolarHBondContact OD2-NE 3.4Å; D361-R364 IonicContact OD2-NH2 2.77Å; D361-R364 PolarHBondContact OD2-NH2 3.02Å; V362-R364 PolarHBondContact O-N 3.17Å; R364-C366 PolarHBondContact O-N 3.5Å; R364-N383 PolarHBondContact NH1-OD1 2.8Å; R364-N383 PolarHBondContact NH2-OD1 3.46Å
365Y92Very high91.9Very high164 Ų16464 Ų6464%0.64332%0.324SS*.THydrogen-bonded Turntrans51.235.9-174.6-63.8-90.7000113.3D361 Y386D361-Y365 PolarHBondContact O-N 3.29Å; Y365-Y386 VanDerWaalsContact C-CE1 3.5Å; Y365-Y386 HydrophobicContact CD1-CD2 4.04Å; Y365-Y386 HydrophobicContact CD1-CE2 4.03Å; Y365-Y386 VanDerWaalsContact O-CD1 3.3Å; Y365-Y386 WeakPolarHBondContact O-CD1 3.33Å; Y365-Y386 PolarHBondContact O-N 2.89Å
366C93.2Very high91.3Very high6 Ų665.7 Ų65.74%0.04134%0.335CS..EExtended strand (participates in β ladder)trans-127.9157.7-17773.30000112.3D361 R364 I384 Y386D361-C366 WeakPolarHBondContact CA-O 3.16Å; D361-C366 PolarHBondContact N-O 3.34Å; D361-C366 PolarHBondContact O-N 3.21Å; D361-C366 VanDerWaalsContact O-N 3.16Å; R364-C366 PolarHBondContact O-N 3.5Å; C366-I384 CarbonylContact C-O 3.57Å; C366-I384 WeakPolarHBondContact CA-O 3.35Å; C366-I384 WeakPolarHBondContact CB-O 3.39Å; C366-Y386 VanDerWaalsContact O-CE1 3.24Å; C366-Y386 WeakPolarHBondContact O-CE1 3.38Å; C366-Y386 PolarHBondContact O-OH 3.38Å
367A94.1Very high90.8Very high2 Ų274.1 Ų74.12%0.01736%0.364CS..EExtended strand (participates in β ladder)trans-131.2152.4-177.800000110.8L357 S359 I384 Y386 I389L357-A367 HydrophobicContact CD1-CB 3.58Å; S359-A367 WeakPolarHBondContact O-CA 3.06Å; A367-I384 PolarHBondContact N-O 2.96Å; A367-I384 PolarHBondContact O-N 3.15Å; A367-Y386 HydrophobicContact CB-CD1 4.32Å; A367-Y386 HydrophobicContact CB-CE1 4.05Å; A367-I389 HydrophobicContact CB-CD1 4.16Å
368T95Very high90.4Very high21 Ų2176.3 Ų76.313%0.12939%0.387CS..EExtended strand (participates in β ladder)trans-100.1127.4165.6-68.40000108.8E358 S359 V380 V381 D382E358-T368 HydrophobicContact CB-CG2 4.32Å; E358-T368 PolarHBondContact N-O 3Å; S359-T368 PolarHBondContact N-O 3.19Å; S359-T368 PolarHBondContact O-N 3.31Å; S359-T368 VanDerWaalsContact OG-CB 3.31Å; S359-T368 WeakPolarHBondContact OG-CB 3.32Å; T368-V380 HydrophobicContact CG2-CG1 3.41Å; T368-V380 VanDerWaalsContact CG2-CG1 3.41Å; T368-V381 WeakPolarHBondContact CA-O 3.49Å; T368-D382 WeakPolarHBondContact CB-OD1 3.49Å; T368-D382 WeakPolarHBondContact CG2-OD1 3.46Å; T368-D382 PolarHBondContact OG1-OD1 3.45Å
369I95.1Very high90.1Very high0 Ų077.1 Ų77.10%039%0.387CS..EExtended strand (participates in β ladder)trans-122.2153.8177.164.8169.7000111.2V343 V345 A355 T356 L357 V380 V381 I384 I389V343-I369 HydrophobicContact CG2-CG2 4.06Å; V345-I369 HydrophobicContact CG2-CD1 3.34Å; A355-I369 HydrophobicContact CB-CB 3.97Å; A355-I369 HydrophobicContact CB-CD1 3.72Å; A355-I369 HydrophobicContact CB-CG1 4.2Å; T356-I369 CarbonylContact O-C 3.44Å; T356-I369 VanDerWaalsContact O-CA 3.29Å; T356-I369 WeakPolarHBondContact O-CA 3.34Å; L357-I369 HydrophobicContact CD1-CG2 3.94Å; I369-V380 WeakPolarHBondContact O-CA 3.48Å; I369-V381 HydrophobicContact CG1-CB 4.33Å; I369-V381 PolarHBondContact N-O 3.43Å; I369-V381 PolarHBondContact O-N 3.34Å; I369-I384 HydrophobicContact CD1-CD1 3.29Å; I369-I384 HydrophobicContact CG1-CD1 3.43Å; I369-I384 VanDerWaalsContact CG1-CD1 3.43Å; I369-I384 HydrophobicContact CG1-CG1 4.5Å; I369-I389 HydrophobicContact CD1-CD1 4.26Å; I369-I389 HydrophobicContact CG2-CD1 3.59Å
370R94.7Very high90Very high108 Ų10877.2 Ų77.241%0.40839%0.385SS..EExtended strand (participates in β ladder)trans-115.1120.7171-177.8-177.7-61.81714.2110.4A355 T356 E358 K372 R379 V380A355-R370 CarbonylContact C-O 3.59Å; A355-R370 WeakPolarHBondContact CA-O 3.47Å; A355-R370 VanDerWaalsContact CB-O 3.31Å; A355-R370 WeakPolarHBondContact CB-O 3.46Å; T356-R370 PolarHBondContact N-O 3.07Å; T356-R370 PolarHBondContact O-N 2.87Å; T356-R370 PolarHBondContact OG1-O 3.4Å; E358-R370 VanDerWaalsContact CD-NH2 3.25Å; E358-R370 HydrophobicContact CG-CB 4.05Å; E358-R370 IonicContact OE1-CZ 3.73Å; E358-R370 IonicContact OE1-NE 2.7Å; E358-R370 PolarHBondContact OE1-NE 3.17Å; E358-R370 IonicContact OE1-NH1 3.15Å; E358-R370 PolarHBondContact OE1-NH1 2.73Å; E358-R370 IonicContact OE1-NH2 3.32Å; E358-R370 PolarHBondContact OE1-NH2 2.91Å; E358-R370 IonicContact OE2-CZ 2.79Å; E358-R370 IonicContact OE2-NE 3.86Å; E358-R370 PolarHBondContact OE2-NE 3.45Å; E358-R370 IonicContact OE2-NH2 3.71Å; E358-R370 PolarHBondContact OE2-NH2 3.29Å; E358-R370 VanDerWaalsContact OE2-NH2 3.07Å; R370-K372 PolarHBondContact O-N 3.34Å; R370-R379 WeakPolarHBondContact CA-O 3.19Å; R370-V380 HydrophobicContact CB-CG2 4.4Å; R370-V380 HydrophobicContact CG-CG2 4.28Å
371I94.2Very high89.8Confident2 Ų275.1 Ų75.11%0.0138%0.376CS..EExtended strand (participates in β ladder)trans-66.6125.2-176.9-60.1177.5000110.2Y350 E373 T376 G378 R379 V381Y350-I371 HydrophobicContact CD1-CD1 3.23Å; Y350-I371 HydrophobicContact CD2-CD1 4.3Å; Y350-I371 HydrophobicContact CE1-CD1 3.47Å; Y350-I371 VanDerWaalsContact CE1-CD1 3.47Å; Y350-I371 HydrophobicContact CG-CD1 3.68Å; I371-E373 WeakPolarHBondContact CG2-O 3.28Å; I371-T376 WeakPolarHBondContact CD1-OG1 3.28Å; I371-G378 PolarHBondContact O-N 2.59Å; I371-R379 HydrophobicContact CD1-CB 4.41Å; I371-R379 PolarHBondContact N-O 3.35Å; I371-V381 HydrophobicContact CD1-CG2 4.05Å; I371-V381 HydrophobicContact CG1-CG2 4.4Å
372K90.4Very high89.7Confident86 Ų8677.4 Ų77.437%0.37439%0.388SS..  trans-89-36.1179.2-87.1179.6153.5162.60112.9T342 K354 T356 R370 R377T342-K372 HydrophobicContact CG2-CD 4.47Å; T342-K372 PolarHBondContact OG1-NZ 3.2Å; K354-K372 PolarHBondContact O-N 3.15Å; T356-K372 HydrophobicContact CG2-CD 3.66Å; T356-K372 HydrophobicContact CG2-CG 4.01Å; T356-K372 VanDerWaalsContact CG2-NZ 3.31Å; R370-K372 PolarHBondContact O-N 3.34Å; K372-R377 WeakPolarHBondContact O-CD 3.44Å; K372-R377 VanDerWaalsContact O-CG 3.25Å; K372-R377 WeakPolarHBondContact O-CG 3.49Å; K372-R377 PolarHBondContact O-NE 2.87Å
373E87.5Confident89.7Confident100 Ų10076.8 Ų76.847%0.46738%0.381SS..SBendtrans-125.9156.4-171.5-67179.1-179.200111.8K354 I371K354-E373 HydrophobicContact CB-CG 4.49Å; K354-E373 WeakPolarHBondContact CD-OE2 3.42Å; K354-E373 IonicContact NZ-OE1 3.45Å; K354-E373 IonicContact NZ-OE2 3.61Å; K354-E373 PolarHBondContact O-N 2.89Å; I371-E373 WeakPolarHBondContact CG2-O 3.28Å
374G79.7Confident89.7Confident54 Ų5470.7 Ų70.756%0.55735%0.348SS*.SBendtrans97.1-176.6178.300000115T376 R377G374-T376 PolarHBondContact O-N 3.37Å; G374-R377 WeakPolarHBondContact O-CB 3.47Å; G374-R377 PolarHBondContact O-N 2.94Å
375L78.3Confident89.8Confident163 Ų16367.4 Ų67.485%0.85334%0.342SS*.THydrogen-bonded Turntrans-65.8-26.6-177-68.896.6000112.8R377L375-R377 VanDerWaalsContact C-N 3.34Å
376T80.8Confident89.9Confident36 Ų3661.6 Ų61.622%0.22132%0.319CS..THydrogen-bonded Turntrans-97.922.6-179.952.70000112.5Y350 I371 G374 G378 R379Y350-T376 HydrophobicContact CE1-CG2 4.19Å; I371-T376 WeakPolarHBondContact CD1-OG1 3.28Å; G374-T376 PolarHBondContact O-N 3.37Å; T376-G378 PolarHBondContact O-N 3.47Å; T376-R379 WeakPolarHBondContact O-CB 3.13Å; T376-R379 PolarHBondContact O-N 3.24Å
377R85.5Confident89.9Confident198 Ų19868.2 Ų68.275%0.74735%0.349SS*.THydrogen-bonded Turntrans-52.3131.4176.9173.3174.9178.3-175.60.5111.1K372 G374 L375 R379K372-R377 WeakPolarHBondContact O-CD 3.44Å; K372-R377 VanDerWaalsContact O-CG 3.25Å; K372-R377 WeakPolarHBondContact O-CG 3.49Å; K372-R377 PolarHBondContact O-NE 2.87Å; G374-R377 WeakPolarHBondContact O-CB 3.47Å; G374-R377 PolarHBondContact O-N 2.94Å; L375-R377 VanDerWaalsContact C-N 3.34Å; R377-R379 VanDerWaalsContact C-N 3.33Å
378G87Confident89.9Confident46 Ų4668.6 Ų68.647%0.47435%0.351SS..THydrogen-bonded Turntrans88.6-8-179.600000114.4I371 T376 V380I371-G378 PolarHBondContact O-N 2.59Å; T376-G378 PolarHBondContact O-N 3.47Å; G378-V380 PolarHBondContact O-N 2.94Å
379R88.2Confident89.9Confident71 Ų7167.6 Ų67.627%0.26835%0.345SS..  trans-68.5130.4173.6-169.9172-170.8177.84.2110.2E267 Y350 R370 I371 T376 R377 V381E267-R379 VanDerWaalsContact CD-NH2 3.31Å; E267-R379 IonicContact OE1-CZ 2.63Å; E267-R379 IonicContact OE1-NE 3.2Å; E267-R379 IonicContact OE1-NH1 3.28Å; E267-R379 PolarHBondContact OE1-NH1 3.35Å; E267-R379 IonicContact OE1-NH2 3.7Å; E267-R379 PolarHBondContact OE1-NH2 3.49Å; E267-R379 IonicContact OE2-NH2 2.75Å; Y350-R379 WeakPolarHBondContact OH-CD 3.42Å; Y350-R379 PolarHBondContact OH-NE 3.37Å; Y350-R379 PolarHBondContact OH-NH1 3.47Å; R370-R379 WeakPolarHBondContact CA-O 3.19Å; I371-R379 HydrophobicContact CD1-CB 4.41Å; I371-R379 PolarHBondContact N-O 3.35Å; T376-R379 WeakPolarHBondContact O-CB 3.13Å; T376-R379 PolarHBondContact O-N 3.24Å; R377-R379 VanDerWaalsContact C-N 3.33Å; R379-V381 HydrophobicContact CG-CG2 4.22Å
380V92Very high89.9Confident59 Ų5967.6 Ų67.636%0.35835%0.345SS..EExtended strand (participates in β ladder)trans-89.6127.8169.2-177.40000107.3T368 I369 R370 G378T368-V380 HydrophobicContact CG2-CG1 3.41Å; T368-V380 VanDerWaalsContact CG2-CG1 3.41Å; I369-V380 WeakPolarHBondContact O-CA 3.48Å; R370-V380 HydrophobicContact CB-CG2 4.4Å; R370-V380 HydrophobicContact CG-CG2 4.28Å; G378-V380 PolarHBondContact O-N 2.94Å
381V90.6Very high90Very high19 Ų1966.4 Ų66.412%0.11534%0.343CS..EExtended strand (participates in β ladder)trans-120.3114.7179.9-1750000107Y350 T368 I369 I371 R379 I384Y350-V381 HydrophobicContact CD2-CG1 4.26Å; Y350-V381 HydrophobicContact CD2-CG2 4.04Å; Y350-V381 HydrophobicContact CE2-CB 4.33Å; Y350-V381 HydrophobicContact CE2-CG1 3.84Å; Y350-V381 HydrophobicContact CE2-CG2 3.52Å; T368-V381 WeakPolarHBondContact CA-O 3.49Å; I369-V381 HydrophobicContact CG1-CB 4.33Å; I369-V381 PolarHBondContact N-O 3.43Å; I369-V381 PolarHBondContact O-N 3.34Å; I371-V381 HydrophobicContact CD1-CG2 4.05Å; I371-V381 HydrophobicContact CG1-CG2 4.4Å; R379-V381 HydrophobicContact CG-CG2 4.22Å; V381-I384 HydrophobicContact CB-CD1 3.89Å; V381-I384 HydrophobicContact CB-CG1 4.39Å; V381-I384 HydrophobicContact CG1-CD1 3.52Å; V381-I384 HydrophobicContact CG1-CG1 3.7Å
382D91.2Very high90Very high95 Ų9568.9 Ų68.951%0.50835%0.352SS..EExtended strand (participates in β ladder)trans-94.5154.5-178.3-61.3-41.7000111.2T368T368-D382 WeakPolarHBondContact CB-OD1 3.49Å; T368-D382 WeakPolarHBondContact CG2-OD1 3.46Å; T368-D382 PolarHBondContact OG1-OD1 3.45Å
383N91.2Very high89.9Confident89 Ų8967.1 Ų67.148%0.47635%0.35SS..EExtended strand (participates in β ladder)trans60.845.7176.7-46.4-69.4000114.3R364R364-N383 PolarHBondContact NH1-OD1 2.8Å; R364-N383 PolarHBondContact NH2-OD1 3.46Å
384I92.3Very high89.2Confident19 Ų1972.9 Ų72.910%0.09738%0.377CS..EExtended strand (participates in β ladder)trans-90.3130.6170.3-53.2-172000109.6C366 A367 I369 V381 D388 I389C366-I384 CarbonylContact C-O 3.57Å; C366-I384 WeakPolarHBondContact CA-O 3.35Å; C366-I384 WeakPolarHBondContact CB-O 3.39Å; A367-I384 PolarHBondContact N-O 2.96Å; A367-I384 PolarHBondContact O-N 3.15Å; I369-I384 HydrophobicContact CD1-CD1 3.29Å; I369-I384 HydrophobicContact CG1-CD1 3.43Å; I369-I384 VanDerWaalsContact CG1-CD1 3.43Å; I369-I384 HydrophobicContact CG1-CG1 4.5Å; V381-I384 HydrophobicContact CB-CD1 3.89Å; V381-I384 HydrophobicContact CB-CG1 4.39Å; V381-I384 HydrophobicContact CG1-CD1 3.52Å; V381-I384 HydrophobicContact CG1-CG1 3.7Å; I384-D388 HydrophobicContact CG2-CB 3.85Å; I384-I389 HydrophobicContact CB-CD1 3.6Å; I384-I389 HydrophobicContact CB-CG1 4.37Å; I384-I389 HydrophobicContact CD1-CD1 4.28Å; I384-I389 HydrophobicContact CG2-CD1 3.38Å; I384-I389 HydrophobicContact CG2-CG1 3.6Å
385D93.4Very high89.6Confident78 Ų7873.9 Ų73.942%0.41737%0.368SS..EExtended strand (participates in β ladder)trans-65.9147.9-179.8-61.3-23.4000111.7E387 D388D385-E387 PolarHBondContact O-N 3.27Å; D385-D388 PolarHBondContact O-N 3.49Å
386Y93.7Very high90.2Very high42 Ų4269.2 Ų69.217%0.16534%0.343CS..G310 helixtrans-61.4-26.8178.5-65.6-13.4000113.5T334 I336 I360 D361 V362 Y365 C366 A367 D388 I389T334-Y386 PolarHBondContact OG1-O 3.08Å; I336-Y386 HydrophobicContact CD1-CD1 4.19Å; I336-Y386 HydrophobicContact CD1-CG 4.26Å; I336-Y386 HydrophobicContact CG1-CD1 4.13Å; I336-Y386 HydrophobicContact CG1-CD2 4.46Å; I336-Y386 HydrophobicContact CG1-CG 4.02Å; I360-Y386 HydrophobicContact CG2-CE1 4.02Å; I360-Y386 WeakPolarHBondContact CG2-OH 3.49Å; D361-Y386 VanDerWaalsContact C-OH 3.24Å; D361-Y386 PolarHBondContact O-OH 2.91Å; V362-Y386 WeakPolarHBondContact CA-OH 3.25Å; Y365-Y386 VanDerWaalsContact C-CE1 3.5Å; Y365-Y386 HydrophobicContact CD1-CD2 4.04Å; Y365-Y386 HydrophobicContact CD1-CE2 4.03Å; Y365-Y386 VanDerWaalsContact O-CD1 3.3Å; Y365-Y386 WeakPolarHBondContact O-CD1 3.33Å; Y365-Y386 PolarHBondContact O-N 2.89Å; C366-Y386 VanDerWaalsContact O-CE1 3.24Å; C366-Y386 WeakPolarHBondContact O-CE1 3.38Å; C366-Y386 PolarHBondContact O-OH 3.38Å; A367-Y386 HydrophobicContact CB-CD1 4.32Å; A367-Y386 HydrophobicContact CB-CE1 4.05Å; Y386-D388 PolarHBondContact O-N 3.02Å; Y386-I389 PolarHBondContact O-N 3.1Å
387E92.9Very high90.8Very high144 Ų14471 Ų7167%0.67335%0.349SS*.G310 helixtrans-65.5-24.8175.1-62.1-171.8172.200112.6V346 D385V346-E387 VanDerWaalsContact CG2-O 3.23Å; V346-E387 WeakPolarHBondContact CG2-O 3.2Å; D385-E387 PolarHBondContact O-N 3.27Å
388D94Very high91.1Very high10 Ų1063.5 Ų63.55%0.05333%0.326CS..G310 helixtrans-94.30.2-174.8-67.3-19.3000112.7R275 V345 V346 N347 I384 D385 Y386R275-D388 IonicContact CZ-OD1 3.83Å; R275-D388 IonicContact CZ-OD2 3.18Å; R275-D388 IonicContact NH1-OD1 2.83Å; R275-D388 IonicContact NH1-OD2 3.51Å; R275-D388 PolarHBondContact NH1-OD2 3.48Å; R275-D388 IonicContact NH2-OD1 3.3Å; R275-D388 PolarHBondContact NH2-OD1 3.25Å; R275-D388 IonicContact NH2-OD2 3.73Å; R275-D388 PolarHBondContact NH2-OD2 3.05Å; V345-D388 CarbonylContact C-O 3.54Å; V345-D388 WeakPolarHBondContact CA-O 3.35Å; V346-D388 VanDerWaalsContact CG2-O 3.28Å; V346-D388 WeakPolarHBondContact CG2-O 3.25Å; V346-D388 PolarHBondContact N-O 2.89Å; N347-D388 HydrophobicContact CB-CB 4.34Å; N347-D388 VanDerWaalsContact CB-OD1 3.28Å; N347-D388 WeakPolarHBondContact CB-OD1 3.36Å; I384-D388 HydrophobicContact CG2-CB 3.85Å; D385-D388 PolarHBondContact O-N 3.49Å; Y386-D388 PolarHBondContact O-N 3.02Å
389I95Very high91.3Very high0 Ų064.6 Ų64.60%032%0.317CS..EExtended strand (participates in β ladder)trans-135.3136.4-179.3-58.1163.5000110.9T334 I336 V343 L344 A367 I369 I384 Y386T334-I389 VanDerWaalsContact CB-O 3.27Å; T334-I389 WeakPolarHBondContact CB-O 3.46Å; I336-I389 HydrophobicContact CD1-CB 4.37Å; I336-I389 WeakPolarHBondContact CD1-O 3.49Å; V343-I389 HydrophobicContact CB-CG2 3.44Å; V343-I389 VanDerWaalsContact CB-CG2 3.44Å; V343-I389 HydrophobicContact CG1-CG2 3.88Å; V343-I389 HydrophobicContact CG2-CG2 3.58Å; L344-I389 WeakPolarHBondContact O-CA 3.17Å; A367-I389 HydrophobicContact CB-CD1 4.16Å; I369-I389 HydrophobicContact CD1-CD1 4.26Å; I369-I389 HydrophobicContact CG2-CD1 3.59Å; I384-I389 HydrophobicContact CB-CD1 3.6Å; I384-I389 HydrophobicContact CB-CG1 4.37Å; I384-I389 HydrophobicContact CD1-CD1 4.28Å; I384-I389 HydrophobicContact CG2-CD1 3.38Å; I384-I389 HydrophobicContact CG2-CG1 3.6Å; Y386-I389 PolarHBondContact O-N 3.1Å
390S95.7Very high91.5Very high0 Ų064.2 Ų64.20%032%0.32CS..EExtended strand (participates in β ladder)trans-136156.1168.9-158.60000113.3V285 V335 V343 L344 W392V285-S390 PolarHBondContact O-OG 2.81Å; V335-S390 PolarHBondContact N-OG 3.41Å; V335-S390 VanDerWaalsContact N-OG 3.1Å; V343-S390 CarbonylContact C-O 3.45Å; V343-S390 VanDerWaalsContact CA-O 3.29Å; V343-S390 WeakPolarHBondContact CA-O 3.28Å; V343-S390 WeakPolarHBondContact CB-O 3.3Å; L344-S390 PolarHBondContact N-O 3.07Å; L344-S390 PolarHBondContact O-N 3.46Å; S390-W392 PolarHBondContact O-N 2.92Å
391K96.3Very high91.5Very high84 Ų8464.6 Ų64.637%0.36532%0.317SS..EExtended strand (participates in β ladder)trans-58.2125.7174.7177.3-177.7179.2-167.10109.4I284 V285 V335 P337I284-K391 WeakPolarHBondContact CA-O 3.49Å; V285-K391 HydrophobicContact CB-CB 4.17Å; V285-K391 HydrophobicContact CB-CD 4.28Å; V285-K391 HydrophobicContact CB-CG 4.4Å; V285-K391 HydrophobicContact CG2-CB 4.34Å; V285-K391 HydrophobicContact CG2-CD 3.95Å; V285-K391 HydrophobicContact CG2-CG 4.06Å; V285-K391 PolarHBondContact N-O 3.43Å; V335-K391 WeakPolarHBondContact O-CB 3.43Å; V335-K391 PolarHBondContact O-N 3.49Å; P337-K391 HydrophobicContact CB-CB 4.07Å; P337-K391 HydrophobicContact CB-CD 4.02Å; P337-K391 HydrophobicContact CB-CG 3.89Å; P337-K391 HydrophobicContact CG-CB 4.08Å; P337-K391 HydrophobicContact CG-CG 4.24Å
392W94.7Very high91.6Very high53 Ų5368.1 Ų68.120%0.20133%0.333CS..BIsolated β-bridgetrans-83.3129.6172.2-178.9-101.4000109.7K282 I284 T342 L344 S390K282-W392 WeakPolarHBondContact O-CH2 3.38Å; K282-W392 WeakPolarHBondContact O-CZ3 3.41Å; I284-W392 HydrophobicContact CG2-CE3 4.26Å; T342-W392 HydrophobicContact CG2-CB 4.2Å; T342-W392 HydrophobicContact CG2-CG 4.49Å; T342-W392 PolarHBondContact O-N 2.85Å; L344-W392 HydrophobicContact CB-CB 4.46Å; L344-W392 HydrophobicContact CB-CE3 3.88Å; L344-W392 HydrophobicContact CD1-CE3 4.09Å; L344-W392 HydrophobicContact CD1-CZ3 4.27Å; L344-W392 HydrophobicContact CD2-CE3 3.89Å; L344-W392 HydrophobicContact CD2-CZ3 3.83Å; L344-W392 HydrophobicContact CG-CE3 4.17Å; L344-W392 HydrophobicContact CG-CZ3 4.47Å; S390-W392 PolarHBondContact O-N 2.92Å
393C87.1Confident91.6Very high50 Ų5065.8 Ų65.834%0.33832%0.318SS..PPolyproline II helixtrans-92.5122.5166.7-160.80000107.8G283 V285 V303G283-C393 PolarHBondContact O-N 3.23Å; V285-C393 HydrophobicContact CG2-CB 4.04Å; V303-C393 HydrophobicContact CG1-CB 4.28Å
394E73.1Confident91.6Very high221 Ų22163.7 Ų63.7100%1.03330%0.304SS*.  trans-67.60175.2-78.7178.5172.500112.6

Retrieved 394 of 394 residues in 191 ms (Link to these results)

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