Y1615_STAAM Loading...

UPF0473 protein SAV1615

AlphaFold DB (Q2FXW2), UniProt , Accession Q99TN4, Species STAAM (Staphylococcus aureus (strain Mu50 / ATCC 700699)), Gene n/a, Length 102 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
1M42.6Very low55Low242 Ų242139.9 Ų139.9100%1.19270%0.703SS**  086.20-67.1177.1-177.500106.9
2T47.1Very low56.9Low115 Ų115132.3 Ų132.371%0.70667%0.665SS**  trans-149.390.2147.4-47.20000103.7H4T2-H4 VanDerWaalsContact C-N 3.26Å; T2-H4 PolarHBondContact O-N 3Å
3E47.6Very low58.5Low175 Ų175127.1 Ų127.182%0.81864%0.64SS**  trans-69.193.7168.7-143.7123.372.400103.9N5E3-N5 PolarHBondContact O-N 3.45Å
4H52Low59.7Low170 Ų170125.1 Ų125.179%0.78763%0.633SS**  trans-70.581.7168.6-85.2171.9000106.7T2 H6T2-H4 VanDerWaalsContact C-N 3.26Å; T2-H4 PolarHBondContact O-N 3Å; H4-H6 PolarHBondContact O-N 3.43Å
5N49Very low60.8Low139 Ų139125.4 Ų125.474%0.74363%0.631SS**  trans-85.859.5171.3-134.3-100.5000107.4E3E3-N5 PolarHBondContact O-N 3.45Å
6H51.8Low61.7Low152 Ų152126.7 Ų126.770%0.70463%0.634SS**  trans-103.676167.6-113.2143.7000106.9H4 S8H4-H6 PolarHBondContact O-N 3.43Å; H6-S8 PolarHBondContact O-N 3.23Å
7D54.6Low63.1Low146 Ų146125.4 Ų125.478%0.78163%0.625SS**  trans-83.317.3171.5-153.4-109.2000111.2Q9D7-Q9 PolarHBondContact O-N 2.78Å; D7-Q9 VanDerWaalsContact O-N 3.09Å
8S56.6Low64.3Low43 Ų43124.6 Ų124.630%0.30162%0.623SS.*  trans-78.482.7160.3-54.80000105.7H6 L10H6-S8 PolarHBondContact O-N 3.23Å; S8-L10 PolarHBondContact O-N 3.45Å
9Q62.5Low65.5Low170 Ų170120.6 Ų120.679%0.79460%0.604SS**  trans-61.391.4166.1-72-166.7-80.300106.7D7 E11D7-Q9 PolarHBondContact O-N 2.78Å; D7-Q9 VanDerWaalsContact O-N 3.09Å; Q9-E11 PolarHBondContact O-N 3.33Å
10L67.3Low66.6Low53 Ų53118.1 Ų118.128%0.27760%0.595SS.*  trans-59.4121.8168-62.4179000106.1S8 I12 H39 P40 V95S8-L10 PolarHBondContact O-N 3.45Å; L10-I12 VanDerWaalsContact C-N 3.33Å; L10-I12 HydrophobicContact CB-CD1 3.71Å; L10-I12 HydrophobicContact CB-CG1 4.41Å; L10-I12 PolarHBondContact O-N 2.62Å; L10-H39 WeakPolarHBondContact CD2-CD2 3.38Å; L10-P40 HydrophobicContact CD2-CG 4.37Å; L10-V95 HydrophobicContact CD1-CG2 3.97Å
11E74.2Confident67.5Low134 Ų134114 Ų11463%0.62657%0.574SS**EExtended strand (participates in β ladder)trans-7891.5174.8-69.3-177.694.100106.8Q9 F37 Y38Q9-E11 PolarHBondContact O-N 3.33Å; E11-F37 WeakPolarHBondContact O-CA 3.36Å; E11-F37 WeakPolarHBondContact O-CB 3.42Å; E11-Y38 PolarHBondContact O-N 2.75Å
12I77.6Confident69.5Low49 Ų49109.2 Ų109.225%0.25155%0.547SS..EExtended strand (participates in β ladder)trans-84.1125.1174.1-44.1-58.9000108.9L10 L35 E36 F37 V95 E99L10-I12 VanDerWaalsContact C-N 3.33Å; L10-I12 HydrophobicContact CB-CD1 3.71Å; L10-I12 HydrophobicContact CB-CG1 4.41Å; L10-I12 PolarHBondContact O-N 2.62Å; I12-L35 HydrophobicContact CG2-CD1 3.69Å; I12-L35 HydrophobicContact CG2-CD2 4.13Å; I12-L35 HydrophobicContact CG2-CG 3.91Å; I12-E36 CarbonylContact C-O 3.58Å; I12-F37 HydrophobicContact CB-CB 4.48Å; I12-F37 HydrophobicContact CD1-CB 3.34Å; I12-F37 HydrophobicContact CD1-CD1 4.38Å; I12-F37 HydrophobicContact CD1-CD2 4.43Å; I12-F37 HydrophobicContact CD1-CG 3.84Å; I12-F37 HydrophobicContact CG1-CB 4.43Å; I12-V95 HydrophobicContact CD1-CG1 3.82Å; I12-V95 HydrophobicContact CD1-CG2 4.32Å; I12-E99 HydrophobicContact CG2-CG 4.37Å
13N78.3Confident71.1Confident64 Ų64107.7 Ų107.734%0.34254%0.535SS..EExtended strand (participates in β ladder)trans-113.6113.1173-60-75.8000108.5E36N13-E36 WeakPolarHBondContact CA-O 3.36Å; N13-E36 HydrophobicContact CB-CB 4.36Å; N13-E36 PolarHBondContact N-O 3.4Å; N13-E36 PolarHBondContact O-N 2.88Å; N13-E36 VanDerWaalsContact O-O 3.1Å
14N74.4Confident72.6Confident100 Ų100108.8 Ų108.854%0.53554%0.54SS..  trans-103.628.2176.551.736.6000112.1E16 L35N14-E16 PolarHBondContact O-N 3.35Å; N14-L35 HydrophobicContact CB-CD1 3.91Å
15E77Confident74.2Confident129 Ų129108.4 Ų108.460%0.60354%0.539SS*.  trans-71.1114.5175.4-66.1-169101.400109.9E17 K33E15-E17 PolarHBondContact O-N 2.64Å; E15-K33 WeakPolarHBondContact O-CE 3.37Å
16E74.9Confident75.9Confident146 Ų146104.2 Ų104.268%0.68253%0.528SS*.  trans-64100.6174.7-67-174.291.800110.1N14 R32N14-E16 PolarHBondContact O-N 3.35Å; E16-R32 IonicContact OE1-NH1 3.77Å
17E84.6Confident77.5Confident105 Ų105101.2 Ų101.249%0.49152%0.517SS..EExtended strand (participates in β ladder)trans-115.7140.6175.2-67.2-159.998.500110.7E15 L19 R32 K33E15-E17 PolarHBondContact O-N 2.64Å; E17-L19 HydrophobicContact CB-CD1 4.32Å; E17-R32 CarbonylContact O-C 3.56Å; E17-R32 WeakPolarHBondContact O-CA 3.32Å; E17-K33 HydrophobicContact CB-CB 4.21Å; E17-K33 WeakPolarHBondContact O-CB 3.26Å; E17-K33 PolarHBondContact O-N 2.81Å; E17-K33 IonicContact OE2-NZ 3.6Å; E17-K33 PolarHBondContact OE2-NZ 3.45Å
18L85.9Confident79Confident111 Ų111101.3 Ų101.358%0.58151%0.513SS*.EExtended strand (participates in β ladder)trans-92.5119.9174.6-66.3175000109.4Y31 R32 E52L18-Y31 CarbonylContact C-O 3.53Å; L18-Y31 WeakPolarHBondContact CA-O 3.47Å; L18-R32 HydrophobicContact CD2-CB 3.81Å; L18-R32 HydrophobicContact CD2-CG 4.19Å; L18-E52 HydrophobicContact CD2-CG 4.03Å
19L86.4Confident80.5Confident49 Ų49101 Ų10126%0.25751%0.509SS..EExtended strand (participates in β ladder)trans-103.3130.4173.6-71.880.8000109E17 L21 Y31 K33 L49 L80E17-L19 HydrophobicContact CB-CD1 4.32Å; L19-L21 HydrophobicContact CB-CD1 3.67Å; L19-Y31 PolarHBondContact N-O 3.27Å; L19-Y31 PolarHBondContact O-N 2.99Å; L19-Y31 VanDerWaalsContact O-O 3.11Å; L19-K33 HydrophobicContact CD1-CB 3.71Å; L19-K33 HydrophobicContact CD1-CD 4.35Å; L19-K33 HydrophobicContact CD1-CG 4.45Å; L19-L49 HydrophobicContact CD1-CD2 4.06Å; L19-L49 HydrophobicContact CD2-CD2 4.2Å; L19-L80 HydrophobicContact CD2-CD1 4.46Å
20T87.5Confident81.8Confident70 Ų7096 Ų9643%0.42949%0.488SS..EExtended strand (participates in β ladder)trans-91.4111.7168.9-52.40000108.5E28 L30T20-E28 HydrophobicContact CG2-CB 3.99Å; T20-E28 HydrophobicContact CG2-CG 4.1Å; T20-L30 HydrophobicContact CG2-CD2 4.36Å; T20-L30 WeakPolarHBondContact OG1-CD2 3.1Å
21L85.2Confident82.8Confident31 Ų3195.3 Ų95.316%0.16248%0.482CS..EExtended strand (participates in β ladder)trans-101152.9173.5-77.277.9000109.6L19 V29 Y31 L49 L80L19-L21 HydrophobicContact CB-CD1 3.67Å; L21-V29 PolarHBondContact N-O 3.27Å; L21-V29 PolarHBondContact O-N 2.82Å; L21-Y31 HydrophobicContact CB-CD2 3.91Å; L21-Y31 HydrophobicContact CB-CE2 4.15Å; L21-Y31 HydrophobicContact CD1-CD2 3.7Å; L21-Y31 HydrophobicContact CD1-CG 4.09Å; L21-Y31 HydrophobicContact CD2-CD2 4.05Å; L21-Y31 HydrophobicContact CD2-CE2 4.22Å; L21-Y31 HydrophobicContact CG-CD2 4.1Å; L21-L49 HydrophobicContact CD1-CD1 3.91Å; L21-L49 HydrophobicContact CD2-CD1 3.97Å; L21-L80 HydrophobicContact CD1-CD1 3.94Å; L21-L80 HydrophobicContact CD2-CD1 3.47Å; L21-L80 VanDerWaalsContact CD2-CD1 3.47Å; L21-L80 HydrophobicContact CG-CD1 3.83Å
22F84.4Confident83.4Confident142 Ų14291.3 Ų91.362%0.62346%0.461SS*.EExtended strand (participates in β ladder)trans-108.9122.1173.4-61.5-92.1000108.8N27 E28F22-N27 WeakPolarHBondContact CA-O 3.19Å; F22-E28 HydrophobicContact CD1-CG 3.89Å; F22-E28 HydrophobicContact CE1-CG 3.37Å; F22-E28 HydrophobicContact CZ-CG 4.08Å
23D81.9Confident84Confident83 Ų8389.2 Ų89.244%0.44445%0.45SS..  trans-72.5171174.4-176.5-100.8000111.8E25 G26 N27 V29D23-E25 PolarHBondContact O-N 3.19Å; D23-E25 VanDerWaalsContact O-N 3.12Å; D23-E25 PolarHBondContact OD1-N 3.28Å; D23-E25 VanDerWaalsContact OD1-N 3.16Å; D23-G26 WeakPolarHBondContact O-CA 3.34Å; D23-G26 PolarHBondContact O-N 3.47Å; D23-N27 PolarHBondContact N-O 3.09Å; D23-N27 VanDerWaalsContact N-O 3.09Å; D23-V29 HydrophobicContact CB-CG2 4.32Å
24E78.4Confident84.4Confident199 Ų19988.7 Ų88.793%0.9345%0.449SS*.THydrogen-bonded Turntrans-52.9-29174-61.2-165105.900113.3G26E24-G26 VanDerWaalsContact C-N 3.27Å; E24-G26 PolarHBondContact O-N 3.08Å
25E85.6Confident85.1Confident162 Ų16284.4 Ų84.476%0.75743%0.426SS*.THydrogen-bonded Turntrans-77.3-8.5175-66.1-164.296.300114D23 N27D23-E25 PolarHBondContact O-N 3.19Å; D23-E25 VanDerWaalsContact O-N 3.12Å; D23-E25 PolarHBondContact OD1-N 3.28Å; D23-E25 VanDerWaalsContact OD1-N 3.16Å; E25-N27 VanDerWaalsContact C-N 3.32Å; E25-N27 VanDerWaalsContact CB-ND2 3.26Å; E25-N27 WeakPolarHBondContact CB-ND2 3.35Å
26G84.4Confident85.6Confident51 Ų5179.7 Ų79.753%0.52640%0.404SS..  trans77.416.6-174.300000113.8D23 E24D23-G26 WeakPolarHBondContact O-CA 3.34Å; D23-G26 PolarHBondContact O-N 3.47Å; E24-G26 VanDerWaalsContact C-N 3.27Å; E24-G26 PolarHBondContact O-N 3.08Å
27N86.8Confident86.2Confident88 Ų8872.8 Ų72.847%0.47137%0.372SS..  trans-81.3137.5174.4-64.9-52.4000110.2F22 D23 E25 V29F22-N27 WeakPolarHBondContact CA-O 3.19Å; D23-N27 PolarHBondContact N-O 3.09Å; D23-N27 VanDerWaalsContact N-O 3.09Å; E25-N27 VanDerWaalsContact C-N 3.32Å; E25-N27 VanDerWaalsContact CB-ND2 3.26Å; E25-N27 WeakPolarHBondContact CB-ND2 3.35Å; N27-V29 PolarHBondContact O-N 3.26Å
28E85.8Confident86.3Confident148 Ų14871.5 Ų71.569%0.69236%0.363SS*.EExtended strand (participates in β ladder)trans-74.2115.4172.4-68.8171105.800109.3T20 F22T20-E28 HydrophobicContact CG2-CB 3.99Å; T20-E28 HydrophobicContact CG2-CG 4.1Å; F22-E28 HydrophobicContact CD1-CG 3.89Å; F22-E28 HydrophobicContact CE1-CG 3.37Å; F22-E28 HydrophobicContact CZ-CG 4.08Å
29V87Confident86.2Confident36 Ų3666.8 Ų66.822%0.21834%0.338CS..EExtended strand (participates in β ladder)trans-110.8125.5173.4-172.90000107.7L21 D23 N27 Y31 E51L21-V29 PolarHBondContact N-O 3.27Å; L21-V29 PolarHBondContact O-N 2.82Å; D23-V29 HydrophobicContact CB-CG2 4.32Å; N27-V29 PolarHBondContact O-N 3.26Å; V29-Y31 HydrophobicContact CB-CD2 4.21Å; V29-Y31 HydrophobicContact CB-CE2 3.77Å; V29-Y31 HydrophobicContact CG1-CD2 3.85Å; V29-Y31 HydrophobicContact CG1-CE2 3.34Å; V29-E51 HydrophobicContact CG1-CG 4.25Å
30L89.3Confident85.9Confident67 Ų6766.9 Ų66.935%0.35134%0.341SS..EExtended strand (participates in β ladder)trans-83.7125.2175.2-69.2174.4000108.4T20 E52T20-L30 HydrophobicContact CG2-CD2 4.36Å; T20-L30 WeakPolarHBondContact OG1-CD2 3.1Å; L30-E52 HydrophobicContact CB-CB 3.69Å; L30-E52 HydrophobicContact CB-CG 4.31Å; L30-E52 VanDerWaalsContact CD1-OE2 3.28Å; L30-E52 WeakPolarHBondContact CD1-OE2 3.49Å; L30-E52 VanDerWaalsContact O-CB 3.24Å; L30-E52 WeakPolarHBondContact O-CB 3.43Å; L30-E52 PolarHBondContact O-N 3.37Å
31Y89.5Confident85.6Confident38 Ų3870 Ų7015%0.14935%0.351CS..EExtended strand (participates in β ladder)trans-116.9143.9170.4-77.1-90.3000109.1L18 L19 L21 V29 L49 A50 E51 V65L18-Y31 CarbonylContact C-O 3.53Å; L18-Y31 WeakPolarHBondContact CA-O 3.47Å; L19-Y31 PolarHBondContact N-O 3.27Å; L19-Y31 PolarHBondContact O-N 2.99Å; L19-Y31 VanDerWaalsContact O-O 3.11Å; L21-Y31 HydrophobicContact CB-CD2 3.91Å; L21-Y31 HydrophobicContact CB-CE2 4.15Å; L21-Y31 HydrophobicContact CD1-CD2 3.7Å; L21-Y31 HydrophobicContact CD1-CG 4.09Å; L21-Y31 HydrophobicContact CD2-CD2 4.05Å; L21-Y31 HydrophobicContact CD2-CE2 4.22Å; L21-Y31 HydrophobicContact CG-CD2 4.1Å; V29-Y31 HydrophobicContact CB-CD2 4.21Å; V29-Y31 HydrophobicContact CB-CE2 3.77Å; V29-Y31 HydrophobicContact CG1-CD2 3.85Å; V29-Y31 HydrophobicContact CG1-CE2 3.34Å; Y31-L49 HydrophobicContact CD1-CB 3.78Å; Y31-L49 HydrophobicContact CG-CB 4.18Å; Y31-L49 HydrophobicContact CG-CD1 4.36Å; Y31-A50 CarbonylContact C-O 3.49Å; Y31-A50 VanDerWaalsContact CA-O 3.3Å; Y31-A50 WeakPolarHBondContact CA-O 3.34Å; Y31-E51 HydrophobicContact CD1-CB 4.39Å; Y31-E51 HydrophobicContact CE1-CB 4.05Å; Y31-V65 HydrophobicContact CE1-CG2 4.22Å
32R86.9Confident85.5Confident50 Ų5072 Ų7219%0.18936%0.358CS..EExtended strand (participates in β ladder)trans-100.6122.6171.218017354.3-165.4-13.6109.2E16 E17 L18 V34 L49 A50E16-R32 IonicContact OE1-NH1 3.77Å; E17-R32 CarbonylContact O-C 3.56Å; E17-R32 WeakPolarHBondContact O-CA 3.32Å; L18-R32 HydrophobicContact CD2-CB 3.81Å; L18-R32 HydrophobicContact CD2-CG 4.19Å; R32-V34 PolarHBondContact O-N 3.06Å; R32-V34 VanDerWaalsContact O-N 3.14Å; R32-L49 CarbonylContact O-C 3.53Å; R32-L49 WeakPolarHBondContact O-CA 3.24Å; R32-A50 PolarHBondContact N-O 3.21Å; R32-A50 PolarHBondContact O-N 2.97Å
33K89.1Confident85.5Confident4 Ų472.7 Ų72.72%0.01736%0.361CS..EExtended strand (participates in β ladder)trans-61.7110.4164.8-161.7173.279.1174.60108.1E15 E17 L19 E36 L49E15-K33 WeakPolarHBondContact O-CE 3.37Å; E17-K33 HydrophobicContact CB-CB 4.21Å; E17-K33 WeakPolarHBondContact O-CB 3.26Å; E17-K33 PolarHBondContact O-N 2.81Å; E17-K33 IonicContact OE2-NZ 3.6Å; E17-K33 PolarHBondContact OE2-NZ 3.45Å; L19-K33 HydrophobicContact CD1-CB 3.71Å; L19-K33 HydrophobicContact CD1-CD 4.35Å; L19-K33 HydrophobicContact CD1-CG 4.45Å; K33-E36 HydrophobicContact CD-CB 3.84Å; K33-E36 HydrophobicContact CG-CB 4.24Å; K33-E36 IonicContact NZ-OE1 2.72Å; K33-E36 PolarHBondContact NZ-OE1 3.41Å; K33-E36 IonicContact NZ-OE2 2.79Å; K33-L49 HydrophobicContact CB-CD2 4.3Å
34V87.7Confident85.7Confident54 Ų5472 Ų7233%0.32736%0.355SS..EExtended strand (participates in β ladder)trans-85.7-43.3175.5-179.40000109.1R32 I48 A50 L64R32-V34 PolarHBondContact O-N 3.06Å; R32-V34 VanDerWaalsContact O-N 3.14Å; V34-I48 HydrophobicContact CB-CG2 4.44Å; V34-I48 PolarHBondContact N-O 3.15Å; V34-A50 HydrophobicContact CG2-CB 3.47Å; V34-A50 VanDerWaalsContact CG2-CB 3.47Å; V34-L64 HydrophobicContact CB-CD2 4.34Å; V34-L64 HydrophobicContact CG1-CD2 4.37Å; V34-L64 HydrophobicContact CG2-CD2 3.89Å
35L88Confident86.2Confident10 Ų1065.8 Ų65.85%0.05233%0.325CS..EExtended strand (participates in β ladder)trans-149.8147-177.5-158.983000109.8I12 N14 F37 V47 I48 V95 E99I12-L35 HydrophobicContact CG2-CD1 3.69Å; I12-L35 HydrophobicContact CG2-CD2 4.13Å; I12-L35 HydrophobicContact CG2-CG 3.91Å; N14-L35 HydrophobicContact CB-CD1 3.91Å; L35-F37 HydrophobicContact CD2-CD1 4.32Å; L35-V47 CarbonylContact O-C 3.59Å; L35-V47 WeakPolarHBondContact O-CA 3.31Å; L35-I48 HydrophobicContact CB-CB 4.23Å; L35-I48 HydrophobicContact CB-CD1 3.77Å; L35-I48 HydrophobicContact CD2-CD1 3.75Å; L35-I48 HydrophobicContact CG-CD1 4.35Å; L35-I48 PolarHBondContact N-O 2.96Å; L35-I48 PolarHBondContact O-N 2.77Å; L35-V95 HydrophobicContact CD2-CG1 3.36Å; L35-E99 HydrophobicContact CD1-CB 4.2Å; L35-E99 HydrophobicContact CD1-CG 3.79Å; L35-E99 HydrophobicContact CD2-CG 4.02Å
36E88.6Confident86.4Confident30 Ų3058 Ų5814%0.1429%0.289CS..EExtended strand (participates in β ladder)trans-142.2140.7174168.9176.17000108.8I12 N13 K33 Y46 V47I12-E36 CarbonylContact C-O 3.58Å; N13-E36 WeakPolarHBondContact CA-O 3.36Å; N13-E36 HydrophobicContact CB-CB 4.36Å; N13-E36 PolarHBondContact N-O 3.4Å; N13-E36 PolarHBondContact O-N 2.88Å; N13-E36 VanDerWaalsContact O-O 3.1Å; K33-E36 HydrophobicContact CD-CB 3.84Å; K33-E36 HydrophobicContact CG-CB 4.24Å; K33-E36 IonicContact NZ-OE1 2.72Å; K33-E36 PolarHBondContact NZ-OE1 3.41Å; K33-E36 IonicContact NZ-OE2 2.79Å; E36-Y46 CarbonylContact C-O 3.53Å; E36-Y46 WeakPolarHBondContact CA-O 3.47Å; E36-V47 HydrophobicContact CB-CB 4.33Å; E36-V47 HydrophobicContact CB-CG1 4.49Å; E36-V47 HydrophobicContact CG-CB 4.49Å; E36-V47 HydrophobicContact CG-CG1 4.12Å
37F88.4Confident86.7Confident0 Ų055.7 Ų55.70%027%0.265CS..EExtended strand (participates in β ladder)trans-151.1147.3174.962.6-87.5000112.7E11 I12 L35 Y46 I48 M91 I92 V95E11-F37 WeakPolarHBondContact O-CA 3.36Å; E11-F37 WeakPolarHBondContact O-CB 3.42Å; I12-F37 HydrophobicContact CB-CB 4.48Å; I12-F37 HydrophobicContact CD1-CB 3.34Å; I12-F37 HydrophobicContact CD1-CD1 4.38Å; I12-F37 HydrophobicContact CD1-CD2 4.43Å; I12-F37 HydrophobicContact CD1-CG 3.84Å; I12-F37 HydrophobicContact CG1-CB 4.43Å; L35-F37 HydrophobicContact CD2-CD1 4.32Å; F37-Y46 HydrophobicContact CD2-CD2 4.25Å; F37-Y46 AromaticContact CE2-CD2 3.8Å; F37-Y46 HydrophobicContact CE2-CD2 3.8Å; F37-Y46 AromaticContact CE2-CG 3.99Å; F37-Y46 HydrophobicContact CE2-CG 3.99Å; F37-Y46 HydrophobicContact CZ-CD2 4.31Å; F37-Y46 HydrophobicContact CZ-CG 4.03Å; F37-Y46 PolarHBondContact N-O 2.98Å; F37-Y46 PolarHBondContact O-N 2.93Å; F37-I48 HydrophobicContact CE1-CD1 4.28Å; F37-M91 HydrophobicContact CE2-CE 3.58Å; F37-M91 HydrophobicContact CE2-CG 4.14Å; F37-M91 HydrophobicContact CE2-SD 3.75Å; F37-M91 HydrophobicContact CZ-CE 3.85Å; F37-M91 HydrophobicContact CZ-CG 4.41Å; F37-M91 HydrophobicContact CZ-SD 4.41Å; F37-I92 HydrophobicContact CE1-CG1 4.17Å; F37-I92 HydrophobicContact CZ-CG1 3.67Å; F37-V95 HydrophobicContact CD1-CB 4.48Å; F37-V95 HydrophobicContact CD1-CG1 3.8Å; F37-V95 HydrophobicContact CE1-CB 4.06Å; F37-V95 HydrophobicContact CE1-CG1 3.82Å; F37-V95 HydrophobicContact CE1-CG2 4.2Å; F37-V95 HydrophobicContact CE2-CG2 4.19Å; F37-V95 HydrophobicContact CG-CG1 4.42Å; F37-V95 HydrophobicContact CZ-CB 4.27Å; F37-V95 HydrophobicContact CZ-CG1 4.44Å; F37-V95 HydrophobicContact CZ-CG2 4.01Å
38Y86.5Confident86.8Confident79 Ų7951.7 Ų51.731%0.3124%0.243SC..EExtended strand (participates in β ladder)trans-94123.8174.7175.7-105.3000110.6E11 P40 K43 K44 E45E11-Y38 PolarHBondContact O-N 2.75Å; Y38-P40 HydrophobicContact CE1-CB 4.25Å; Y38-P40 WeakPolarHBondContact O-CD 3Å; Y38-K43 HydrophobicContact CE2-CB 4.46Å; Y38-K43 WeakPolarHBondContact OH-CA 3.45Å; Y38-K43 WeakPolarHBondContact OH-CB 3.36Å; Y38-K44 WeakPolarHBondContact CD2-O 3.31Å; Y38-E45 HydrophobicContact CD2-CG 3.76Å
39H82.6Confident87Confident12 Ų1244.7 Ų44.76%0.05621%0.21CC..EExtended strand (participates in β ladder)trans-90.7115.2172.7-161.8-111000111L10 E41 F42 K43 K44 Y46 M91L10-H39 WeakPolarHBondContact CD2-CD2 3.38Å; H39-E41 VanDerWaalsContact C-N 3.3Å; H39-E41 WeakPolarHBondContact CE1-CB 3.35Å; H39-E41 VanDerWaalsContact CE1-CG 3.45Å; H39-E41 WeakPolarHBondContact CE1-CG 3.47Å; H39-E41 IonicContact CE1-OE2 3.27Å; H39-E41 PolarHBondContact CE1-OE2 2.96Å; H39-E41 VanDerWaalsContact CE1-OE2 3.27Å; H39-E41 PolarHBondContact ND1-N 3.22Å; H39-E41 IonicContact NE2-OE2 3.58Å; H39-E41 PolarHBondContact O-N 2.76Å; H39-F42 HydrophobicContact CB-CB 4.33Å; H39-F42 HydrophobicContact CB-CD2 4.14Å; H39-F42 AromaticContact CE1-CD2 3.65Å; H39-F42 AromaticContact CE1-CE2 3.79Å; H39-F42 AromaticContact CG-CD2 3.7Å; H39-F42 AromaticContact ND1-CD2 3Å; H39-F42 WeakPolarHBondContact ND1-CD2 3.34Å; H39-F42 AromaticContact ND1-CE2 3.63Å; H39-F42 AromaticContact ND1-CG 3.68Å; H39-F42 PolarHBondContact ND1-N 2.83Å; H39-K43 WeakPolarHBondContact O-CA 3.48Å; H39-K43 PolarHBondContact O-N 3.37Å; H39-K44 PolarHBondContact N-O 3.35Å; H39-K44 PolarHBondContact O-N 3.11Å; H39-Y46 HydrophobicContact CB-CD2 3.98Å; H39-Y46 HydrophobicContact CB-CE2 3.49Å; H39-Y46 VanDerWaalsContact CB-CE2 3.49Å; H39-M91 HydrophobicContact CB-CE 4.46Å; H39-M91 HydrophobicContact CB-SD 3.95Å; H39-M91 PolarHBondContact CD2-SD 2.89Å; H39-M91 PolarHBondContact NE2-SD 2.76Å
40P81.2Confident87.1Confident50 Ų5043 Ų4333%0.32520%0.2SC..THydrogen-bonded Turntrans-69.1-25.4-17727.4-34.1000113.4L10 Y38 K43L10-P40 HydrophobicContact CD2-CG 4.37Å; Y38-P40 HydrophobicContact CE1-CB 4.25Å; Y38-P40 WeakPolarHBondContact O-CD 3Å; P40-K43 WeakPolarHBondContact O-CG 3.43Å
41E81.1Confident86.9Confident137 Ų13744 Ų4464%0.6420%0.203SC*.THydrogen-bonded Turntrans-78.4-43.1-179.8-47.5-174.273.400111.8H39 K43H39-E41 VanDerWaalsContact C-N 3.3Å; H39-E41 WeakPolarHBondContact CE1-CB 3.35Å; H39-E41 VanDerWaalsContact CE1-CG 3.45Å; H39-E41 WeakPolarHBondContact CE1-CG 3.47Å; H39-E41 IonicContact CE1-OE2 3.27Å; H39-E41 PolarHBondContact CE1-OE2 2.96Å; H39-E41 VanDerWaalsContact CE1-OE2 3.27Å; H39-E41 PolarHBondContact ND1-N 3.22Å; H39-E41 IonicContact NE2-OE2 3.58Å; H39-E41 PolarHBondContact O-N 2.76Å; E41-K43 VanDerWaalsContact C-N 3.33Å
42F83.2Confident86.5Confident71 Ų7146.4 Ų46.431%0.31122%0.216SC..THydrogen-bonded Turntrans-80.1-21.1175.8-65.1-61.3000111.8H39 K44 Y46 E87 E88 M91H39-F42 HydrophobicContact CB-CB 4.33Å; H39-F42 HydrophobicContact CB-CD2 4.14Å; H39-F42 AromaticContact CE1-CD2 3.65Å; H39-F42 AromaticContact CE1-CE2 3.79Å; H39-F42 AromaticContact CG-CD2 3.7Å; H39-F42 AromaticContact ND1-CD2 3Å; H39-F42 WeakPolarHBondContact ND1-CD2 3.34Å; H39-F42 AromaticContact ND1-CE2 3.63Å; H39-F42 AromaticContact ND1-CG 3.68Å; H39-F42 PolarHBondContact ND1-N 2.83Å; F42-K44 HydrophobicContact CB-CB 4.19Å; F42-K44 HydrophobicContact CB-CD 4.21Å; F42-K44 HydrophobicContact CB-CG 4.22Å; F42-K44 PolarHBondContact O-N 3.01Å; F42-Y46 HydrophobicContact CB-CE2 4.46Å; F42-Y46 WeakPolarHBondContact CB-OH 3.21Å; F42-Y46 HydrophobicContact CD2-CE2 4.39Å; F42-Y46 VanDerWaalsContact CD2-OH 3.26Å; F42-Y46 WeakPolarHBondContact CD2-OH 3.36Å; F42-Y46 WeakPolarHBondContact CG-OH 3.42Å; F42-E87 HydrophobicContact CZ-CB 4.12Å; F42-E88 HydrophobicContact CD2-CG 4.18Å; F42-E88 HydrophobicContact CE2-CG 3.96Å; F42-E88 HydrophobicContact CZ-CG 4.14Å; F42-M91 HydrophobicContact CD2-CE 4.48Å; F42-M91 HydrophobicContact CD2-SD 4.44Å; F42-M91 HydrophobicContact CE2-SD 4.4Å
43K82.7Confident85.6Confident157 Ų15745.8 Ų45.868%0.68322%0.224SC*.THydrogen-bonded Turntrans53.742.8-171-56.9-178.4179.5176.50112Y38 H39 P40 E41Y38-K43 HydrophobicContact CE2-CB 4.46Å; Y38-K43 WeakPolarHBondContact OH-CA 3.45Å; Y38-K43 WeakPolarHBondContact OH-CB 3.36Å; H39-K43 WeakPolarHBondContact O-CA 3.48Å; H39-K43 PolarHBondContact O-N 3.37Å; P40-K43 WeakPolarHBondContact O-CG 3.43Å; E41-K43 VanDerWaalsContact C-N 3.33Å
44K87Confident84.3Confident70 Ų7046.9 Ų46.930%0.30424%0.235SC..EExtended strand (participates in β ladder)trans-128.8149.2-177.6-71.7179.5-178.9-177.90109.3Y38 H39 F42 Y46 I68 E88Y38-K44 WeakPolarHBondContact CD2-O 3.31Å; H39-K44 PolarHBondContact N-O 3.35Å; H39-K44 PolarHBondContact O-N 3.11Å; F42-K44 HydrophobicContact CB-CB 4.19Å; F42-K44 HydrophobicContact CB-CD 4.21Å; F42-K44 HydrophobicContact CB-CG 4.22Å; F42-K44 PolarHBondContact O-N 3.01Å; K44-Y46 HydrophobicContact CB-CE2 3.74Å; K44-Y46 WeakPolarHBondContact O-CE2 3.46Å; K44-I68 HydrophobicContact CB-CG2 4.07Å; K44-I68 HydrophobicContact CD-CD1 4.23Å; K44-I68 HydrophobicContact CD-CG2 4.01Å; K44-I68 HydrophobicContact CG-CG2 4.33Å; K44-E88 IonicContact NZ-OE1 3Å; K44-E88 PolarHBondContact NZ-OE1 2.94Å
45E88.5Confident82.7Confident67 Ų6750.2 Ų50.231%0.31325%0.247SC..EExtended strand (participates in β ladder)trans-96.3126.5175-64170.484.700107.9Y38 I68 N69Y38-E45 HydrophobicContact CD2-CG 3.76Å; E45-I68 CarbonylContact O-C 3.44Å; E45-I68 VanDerWaalsContact O-CA 3.31Å; E45-I68 WeakPolarHBondContact O-CA 3.28Å; E45-I68 WeakPolarHBondContact O-CG2 3.27Å; E45-N69 HydrophobicContact CB-CB 4.15Å; E45-N69 PolarHBondContact O-N 3.29Å
46Y90.2Very high81.1Confident0 Ų054.6 Ų54.60%028%0.278CS..EExtended strand (participates in β ladder)trans-108.7134.7177.4-61.9-92.2000107.8E36 F37 H39 F42 K44 M67 I68 I83 E88 M91 I92E36-Y46 CarbonylContact C-O 3.53Å; E36-Y46 WeakPolarHBondContact CA-O 3.47Å; F37-Y46 HydrophobicContact CD2-CD2 4.25Å; F37-Y46 AromaticContact CE2-CD2 3.8Å; F37-Y46 HydrophobicContact CE2-CD2 3.8Å; F37-Y46 AromaticContact CE2-CG 3.99Å; F37-Y46 HydrophobicContact CE2-CG 3.99Å; F37-Y46 HydrophobicContact CZ-CD2 4.31Å; F37-Y46 HydrophobicContact CZ-CG 4.03Å; F37-Y46 PolarHBondContact N-O 2.98Å; F37-Y46 PolarHBondContact O-N 2.93Å; H39-Y46 HydrophobicContact CB-CD2 3.98Å; H39-Y46 HydrophobicContact CB-CE2 3.49Å; H39-Y46 VanDerWaalsContact CB-CE2 3.49Å; F42-Y46 HydrophobicContact CB-CE2 4.46Å; F42-Y46 WeakPolarHBondContact CB-OH 3.21Å; F42-Y46 HydrophobicContact CD2-CE2 4.39Å; F42-Y46 VanDerWaalsContact CD2-OH 3.26Å; F42-Y46 WeakPolarHBondContact CD2-OH 3.36Å; F42-Y46 WeakPolarHBondContact CG-OH 3.42Å; K44-Y46 HydrophobicContact CB-CE2 3.74Å; K44-Y46 WeakPolarHBondContact O-CE2 3.46Å; Y46-M67 CarbonylContact C-O 3.49Å; Y46-M67 WeakPolarHBondContact CA-O 3.29Å; Y46-I68 HydrophobicContact CD1-CG1 3.84Å; Y46-I68 HydrophobicContact CE1-CD1 4.04Å; Y46-I68 HydrophobicContact CE1-CG1 3.67Å; Y46-I83 HydrophobicContact CD1-CG1 4.29Å; Y46-I83 HydrophobicContact CE1-CG1 4.41Å; Y46-E88 HydrophobicContact CE1-CB 3.96Å; Y46-E88 HydrophobicContact CE1-CG 3.78Å; Y46-E88 WeakPolarHBondContact CE1-OE1 3.47Å; Y46-E88 WeakPolarHBondContact OH-CG 3.14Å; Y46-E88 PolarHBondContact OH-OE1 2.83Å; Y46-M91 HydrophobicContact CD1-CE 4.02Å; Y46-M91 HydrophobicContact CD2-CE 3.77Å; Y46-M91 HydrophobicContact CE1-CE 3.86Å; Y46-M91 HydrophobicContact CE2-CE 3.65Å; Y46-M91 HydrophobicContact CG-CE 3.96Å; Y46-I92 HydrophobicContact CD1-CD1 3.88Å; Y46-I92 HydrophobicContact CD1-CG1 4.38Å
47V90.2Very high79.5Confident2 Ų258.8 Ų58.81%0.01230%0.301CS..EExtended strand (participates in β ladder)trans-132.8136.6-178.9-21.30000108.2L35 E36 L49 P66 M67 N69 L80L35-V47 CarbonylContact O-C 3.59Å; L35-V47 WeakPolarHBondContact O-CA 3.31Å; E36-V47 HydrophobicContact CB-CB 4.33Å; E36-V47 HydrophobicContact CB-CG1 4.49Å; E36-V47 HydrophobicContact CG-CB 4.49Å; E36-V47 HydrophobicContact CG-CG1 4.12Å; V47-L49 HydrophobicContact CG2-CD1 4.25Å; V47-L49 HydrophobicContact CG2-CD2 3.69Å; V47-L49 HydrophobicContact CG2-CG 3.7Å; V47-P66 CarbonylContact O-C 3.57Å; V47-P66 WeakPolarHBondContact O-CA 3.28Å; V47-M67 PolarHBondContact N-O 3.31Å; V47-M67 PolarHBondContact O-N 3.37Å; V47-M67 VanDerWaalsContact O-O 3.05Å; V47-N69 HydrophobicContact CG1-CB 3.39Å; V47-L80 HydrophobicContact CG2-CD2 4Å
48I90.1Very high78Confident4 Ų469 Ų692%0.02135%0.349CS..EExtended strand (participates in β ladder)trans-107.1115.7176.9-65.5141000106.9V34 L35 F37 L64 P66 I92 V96V34-I48 HydrophobicContact CB-CG2 4.44Å; V34-I48 PolarHBondContact N-O 3.15Å; L35-I48 HydrophobicContact CB-CB 4.23Å; L35-I48 HydrophobicContact CB-CD1 3.77Å; L35-I48 HydrophobicContact CD2-CD1 3.75Å; L35-I48 HydrophobicContact CG-CD1 4.35Å; L35-I48 PolarHBondContact N-O 2.96Å; L35-I48 PolarHBondContact O-N 2.77Å; F37-I48 HydrophobicContact CE1-CD1 4.28Å; I48-L64 HydrophobicContact CG2-CB 3.78Å; I48-L64 HydrophobicContact CG2-CD1 4.21Å; I48-L64 HydrophobicContact CG2-CD2 3.91Å; I48-L64 HydrophobicContact CG2-CG 4.18Å; I48-P66 HydrophobicContact CG1-CB 4.07Å; I48-I92 HydrophobicContact CD1-CG2 4.2Å; I48-I92 HydrophobicContact CG1-CG2 4.29Å; I48-V96 HydrophobicContact CD1-CG2 3.37Å; I48-V96 HydrophobicContact CG1-CG2 4.25Å
49L90.3Very high76.7Confident0 Ų072.2 Ų72.20%037%0.372CS..EExtended strand (participates in β ladder)trans-103.1141.3-178.4-63.1-179.9000110L19 L21 Y31 R32 K33 V47 L64 V65 M67 L80L19-L49 HydrophobicContact CD1-CD2 4.06Å; L19-L49 HydrophobicContact CD2-CD2 4.2Å; L21-L49 HydrophobicContact CD1-CD1 3.91Å; L21-L49 HydrophobicContact CD2-CD1 3.97Å; Y31-L49 HydrophobicContact CD1-CB 3.78Å; Y31-L49 HydrophobicContact CG-CB 4.18Å; Y31-L49 HydrophobicContact CG-CD1 4.36Å; R32-L49 CarbonylContact O-C 3.53Å; R32-L49 WeakPolarHBondContact O-CA 3.24Å; K33-L49 HydrophobicContact CB-CD2 4.3Å; V47-L49 HydrophobicContact CG2-CD1 4.25Å; V47-L49 HydrophobicContact CG2-CD2 3.69Å; V47-L49 HydrophobicContact CG2-CG 3.7Å; L49-L64 CarbonylContact O-C 3.44Å; L49-V65 PolarHBondContact N-O 3.32Å; L49-V65 PolarHBondContact O-N 2.8Å; L49-M67 HydrophobicContact CD1-SD 4.49Å; L49-L80 HydrophobicContact CD1-CD1 3.64Å
50A87.7Confident75.5Confident0 Ų074.2 Ų74.20%038%0.383CS..EExtended strand (participates in β ladder)trans-115.9136.216900000109.2Y31 R32 V34 E52 I62 L64Y31-A50 CarbonylContact C-O 3.49Å; Y31-A50 VanDerWaalsContact CA-O 3.3Å; Y31-A50 WeakPolarHBondContact CA-O 3.34Å; R32-A50 PolarHBondContact N-O 3.21Å; R32-A50 PolarHBondContact O-N 2.97Å; V34-A50 HydrophobicContact CG2-CB 3.47Å; V34-A50 VanDerWaalsContact CG2-CB 3.47Å; A50-E52 PolarHBondContact O-N 2.76Å; A50-I62 HydrophobicContact CB-CG2 3.35Å; A50-L64 HydrophobicContact CB-CD2 4.24Å
51E86Confident74.7Confident88 Ų8880 Ų8041%0.41141%0.408SS..EExtended strand (participates in β ladder)trans-61124.3175.8-168.7179.4124.700110.4V29 Y31 G53V29-E51 HydrophobicContact CG1-CG 4.25Å; Y31-E51 HydrophobicContact CD1-CB 4.39Å; Y31-E51 HydrophobicContact CE1-CB 4.05Å; E51-G53 PolarHBondContact O-N 3.02Å
52E80.5Confident74.2Confident90 Ų9077 Ų7742%0.42140%0.395SS..THydrogen-bonded Turntrans-77.4115.7176.7-165.2-83.2100.300108.8L18 L30 A50L18-E52 HydrophobicContact CD2-CG 4.03Å; L30-E52 HydrophobicContact CB-CB 3.69Å; L30-E52 HydrophobicContact CB-CG 4.31Å; L30-E52 VanDerWaalsContact CD1-OE2 3.28Å; L30-E52 WeakPolarHBondContact CD1-OE2 3.49Å; L30-E52 VanDerWaalsContact O-CB 3.24Å; L30-E52 WeakPolarHBondContact O-CB 3.43Å; L30-E52 PolarHBondContact O-N 3.37Å; A50-E52 PolarHBondContact O-N 2.76Å
53G68.3Low74Confident36 Ų3680.2 Ų80.237%0.37141%0.411SS..THydrogen-bonded Turntrans118.2-15.6-178.900000114.3E51 Q55 S56E51-G53 PolarHBondContact O-N 3.02Å; G53-Q55 PolarHBondContact O-N 3.4Å; G53-S56 PolarHBondContact O-OG 2.84Å
54A61.4Low74.2Confident28 Ų2875.2 Ų75.223%0.23139%0.391CS..G310 helixtrans-56.9-30.7175.500000112.1S56 D60A54-S56 PolarHBondContact O-N 2.77Å; A54-D60 VanDerWaalsContact O-OD1 3.07Å
55Q54.8Low74.3Confident124 Ų12473.4 Ų73.458%0.57939%0.386SS*.G310 helixtrans-56.28.7-178.4-66.5-166.2-107.200117.4G53 D60G53-Q55 PolarHBondContact O-N 3.4Å; Q55-D60 VanDerWaalsContact CA-OD1 3.28Å; Q55-D60 WeakPolarHBondContact CA-OD1 3.31Å; Q55-D60 PolarHBondContact N-OD1 2.8Å; Q55-D60 VanDerWaalsContact N-OD1 3.12Å
56S54.5Low74.3Confident101 Ų10171 Ų7171%0.70638%0.377SS*.G310 helixtrans-78.9-8.2-176.6-63.30000115.1G53 A54G53-S56 PolarHBondContact O-OG 2.84Å; A54-S56 PolarHBondContact O-N 2.77Å
57D53.9Low74.3Confident119 Ų11972.8 Ų72.864%0.63639%0.386SS*.SBendtrans-117.4141.9-176.9-74.3-86.5000113.1D59 D60D57-D59 PolarHBondContact O-N 2.77Å; D57-D60 VanDerWaalsContact O-CB 3.31Å; D57-D60 WeakPolarHBondContact O-CB 3.44Å; D57-D60 PolarHBondContact O-N 3.22Å; D57-D60 VanDerWaalsContact O-N 3.09Å
58E57.2Low74.3Confident213 Ų21373 Ų73100%0.99539%0.386SS*.THydrogen-bonded Turntrans-66.45.5-173.9-64-179.58600114.4
59D58.4Low74.2Confident147 Ų14774.4 Ų74.479%0.78639%0.394SS*.THydrogen-bonded Turntrans-131.521.7-178.9-139.2-103.9000111D57 M61D57-D59 PolarHBondContact O-N 2.77Å; D59-M61 PolarHBondContact O-N 2.81Å
60D57.9Low74.1Confident54 Ų5478.9 Ų78.929%0.28942%0.415SS..  trans-6788.8-164.1-150.8-121.6000113A54 Q55 D57 I62A54-D60 VanDerWaalsContact O-OD1 3.07Å; Q55-D60 VanDerWaalsContact CA-OD1 3.28Å; Q55-D60 WeakPolarHBondContact CA-OD1 3.31Å; Q55-D60 PolarHBondContact N-OD1 2.8Å; Q55-D60 VanDerWaalsContact N-OD1 3.12Å; D57-D60 VanDerWaalsContact O-CB 3.31Å; D57-D60 WeakPolarHBondContact O-CB 3.44Å; D57-D60 PolarHBondContact O-N 3.22Å; D57-D60 VanDerWaalsContact O-N 3.09Å; D60-I62 PolarHBondContact O-N 2.69Å
61M64Low73.6Confident172 Ų17282.8 Ų82.885%0.84744%0.44SS*.  trans-59.6104.8155.7-74.1-178.964.100106.7D59 E63D59-M61 PolarHBondContact O-N 2.81Å; M61-E63 PolarHBondContact O-N 3.04Å; M61-E63 VanDerWaalsContact O-N 3.13Å
62I71.5Confident73.1Confident75 Ų7582.9 Ų82.939%0.38544%0.443SS..  trans-61117.5172.9-60.1172.7000107.3A50 D60 L64A50-I62 HydrophobicContact CB-CG2 3.35Å; D60-I62 PolarHBondContact O-N 2.69Å; I62-L64 HydrophobicContact CG2-CD2 3.95Å; I62-L64 PolarHBondContact O-N 3.49Å; I62-L64 VanDerWaalsContact O-N 3.16Å
63E79.5Confident72.7Confident137 Ų13788.4 Ų88.464%0.6447%0.47SS*.  trans-73.2108174.8-167.5173.298.700108.8M61M61-E63 PolarHBondContact O-N 3.04Å; M61-E63 VanDerWaalsContact O-N 3.13Å
64L86Confident72.7Confident52 Ų5291.3 Ų91.327%0.27248%0.484SS..EExtended strand (participates in β ladder)trans-86121175.6-61.2-177.7000109.1V34 I48 L49 A50 I62 P66 V96 M100V34-L64 HydrophobicContact CB-CD2 4.34Å; V34-L64 HydrophobicContact CG1-CD2 4.37Å; V34-L64 HydrophobicContact CG2-CD2 3.89Å; I48-L64 HydrophobicContact CG2-CB 3.78Å; I48-L64 HydrophobicContact CG2-CD1 4.21Å; I48-L64 HydrophobicContact CG2-CD2 3.91Å; I48-L64 HydrophobicContact CG2-CG 4.18Å; L49-L64 CarbonylContact O-C 3.44Å; A50-L64 HydrophobicContact CB-CD2 4.24Å; I62-L64 HydrophobicContact CG2-CD2 3.95Å; I62-L64 PolarHBondContact O-N 3.49Å; I62-L64 VanDerWaalsContact O-N 3.16Å; L64-P66 VanDerWaalsContact O-CD 3.31Å; L64-P66 WeakPolarHBondContact O-CD 3.23Å; L64-V96 HydrophobicContact CD1-CG1 4.2Å; L64-M100 HydrophobicContact CD1-CE 4.48Å; L64-M100 HydrophobicContact CD1-SD 3.78Å
65V88.5Confident72.7Confident32 Ų3293.2 Ų93.219%0.19451%0.507CS..EExtended strand (participates in β ladder)trans-109.996.2179.3-170.40000108.2Y31 L49 M67Y31-V65 HydrophobicContact CE1-CG2 4.22Å; L49-V65 PolarHBondContact N-O 3.32Å; L49-V65 PolarHBondContact O-N 2.8Å; V65-M67 HydrophobicContact CG1-CE 3.37Å; V65-M67 HydrophobicContact CG1-CG 4.22Å
66P89.5Confident73.2Confident18 Ų1895 Ų9512%0.11752%0.52CS..EExtended strand (participates in β ladder)trans-76.7135.7176.734-35.8000110.2V47 I48 L64 I83 W89 I92V47-P66 CarbonylContact O-C 3.57Å; V47-P66 WeakPolarHBondContact O-CA 3.28Å; I48-P66 HydrophobicContact CG1-CB 4.07Å; L64-P66 VanDerWaalsContact O-CD 3.31Å; L64-P66 WeakPolarHBondContact O-CD 3.23Å; P66-I83 VanDerWaalsContact C-CD1 3.41Å; P66-I83 HydrophobicContact CB-CD1 3.5Å; P66-I83 HydrophobicContact CG-CD1 3.89Å; P66-I83 WeakPolarHBondContact O-CD1 3.26Å; P66-W89 HydrophobicContact CG-CE3 4.32Å; P66-W89 HydrophobicContact CG-CH2 3.38Å; P66-W89 HydrophobicContact CG-CZ2 4.22Å; P66-W89 HydrophobicContact CG-CZ3 3.45Å; P66-W89 VanDerWaalsContact CG-CZ3 3.45Å; P66-I92 HydrophobicContact CB-CD1 4.1Å; P66-I92 HydrophobicContact CB-CG2 3.93Å
67M91Very high73.9Confident37 Ų3792.3 Ų92.318%0.18251%0.509CS..EExtended strand (participates in β ladder)trans-143.5160.2178.3-60.3-162.4-172.600110.5Y46 V47 L49 V65 L80 V81Y46-M67 CarbonylContact C-O 3.49Å; Y46-M67 WeakPolarHBondContact CA-O 3.29Å; V47-M67 PolarHBondContact N-O 3.31Å; V47-M67 PolarHBondContact O-N 3.37Å; V47-M67 VanDerWaalsContact O-O 3.05Å; L49-M67 HydrophobicContact CD1-SD 4.49Å; V65-M67 HydrophobicContact CG1-CE 3.37Å; V65-M67 HydrophobicContact CG1-CG 4.22Å; M67-L80 HydrophobicContact CB-CB 4.1Å; M67-L80 HydrophobicContact CB-CD2 4.28Å; M67-L80 HydrophobicContact SD-CB 3.56Å; M67-L80 VanDerWaalsContact SD-CB 3.56Å; M67-L80 HydrophobicContact SD-CD1 4.23Å; M67-L80 HydrophobicContact SD-CG 4.45Å; M67-V81 CarbonylContact C-O 3.59Å
68I90.4Very high74.8Confident6 Ų688.7 Ų88.73%0.03150%0.499CS..EExtended strand (participates in β ladder)trans-94121.7173.5-55.9171.7000107.5K44 E45 Y46 E70 L80 V81 I83 E88K44-I68 HydrophobicContact CB-CG2 4.07Å; K44-I68 HydrophobicContact CD-CD1 4.23Å; K44-I68 HydrophobicContact CD-CG2 4.01Å; K44-I68 HydrophobicContact CG-CG2 4.33Å; E45-I68 CarbonylContact O-C 3.44Å; E45-I68 VanDerWaalsContact O-CA 3.31Å; E45-I68 WeakPolarHBondContact O-CA 3.28Å; E45-I68 WeakPolarHBondContact O-CG2 3.27Å; Y46-I68 HydrophobicContact CD1-CG1 3.84Å; Y46-I68 HydrophobicContact CE1-CD1 4.04Å; Y46-I68 HydrophobicContact CE1-CG1 3.67Å; I68-E70 HydrophobicContact CG2-CG 4.16Å; I68-E70 PolarHBondContact O-N 2.9Å; I68-L80 CarbonylContact O-C 3.54Å; I68-L80 VanDerWaalsContact O-CA 3.27Å; I68-L80 WeakPolarHBondContact O-CA 3.48Å; I68-V81 HydrophobicContact CB-CB 4.3Å; I68-V81 PolarHBondContact N-O 3.09Å; I68-V81 PolarHBondContact O-N 2.83Å; I68-I83 HydrophobicContact CD1-CG1 4.29Å; I68-I83 HydrophobicContact CG1-CG1 3.9Å; I68-E88 WeakPolarHBondContact CD1-OE1 3.48Å
69N87.9Confident76Confident33 Ų3385 Ų8518%0.17648%0.48CS..EExtended strand (participates in β ladder)trans-81.6108.6169.9-179.538.8000109.8E45 V47 P71 L80E45-N69 HydrophobicContact CB-CB 4.15Å; E45-N69 PolarHBondContact O-N 3.29Å; V47-N69 HydrophobicContact CG1-CB 3.39Å; N69-P71 WeakPolarHBondContact O-CD 3.22Å; N69-L80 HydrophobicContact CB-CD2 3.99Å
70E86.4Confident77.4Confident94 Ų9479.8 Ų79.844%0.43945%0.452SS..EExtended strand (participates in β ladder)trans-100100.4168.4-66.3-162.510700109I68 D72 G78 K79 V81I68-E70 HydrophobicContact CG2-CG 4.16Å; I68-E70 PolarHBondContact O-N 2.9Å; E70-D72 PolarHBondContact O-N 2.74Å; E70-G78 CarbonylContact O-C 3.59Å; E70-G78 VanDerWaalsContact O-CA 3.28Å; E70-G78 WeakPolarHBondContact O-CA 3.31Å; E70-K79 WeakPolarHBondContact CB-O 3.41Å; E70-K79 PolarHBondContact N-O 3.43Å; E70-K79 PolarHBondContact O-N 3.47Å; E70-V81 HydrophobicContact CG-CG2 4.19Å; E70-V81 WeakPolarHBondContact OE2-CG2 3.15Å
71P78.4Confident78.8Confident82 Ų8278.3 Ų78.353%0.53245%0.445SS..EExtended strand (participates in β ladder)trans-61.2133.6175.524.4-33000110.8N69N69-P71 WeakPolarHBondContact O-CD 3.22Å
72D75.2Confident80Confident90 Ų9074.1 Ų74.148%0.48143%0.43SS..  trans-71.6154172.6-174.6-98.3000110.6E70 S74 G75 G77E70-D72 PolarHBondContact O-N 2.74Å; D72-S74 PolarHBondContact O-N 2.9Å; D72-S74 VanDerWaalsContact OD1-CB 3.23Å; D72-S74 WeakPolarHBondContact OD1-CB 3.2Å; D72-S74 PolarHBondContact OD1-N 3.49Å; D72-S74 PolarHBondContact OD1-OG 2.74Å; D72-G75 PolarHBondContact O-N 3.16Å; D72-G77 VanDerWaalsContact CB-O 3.29Å; D72-G77 WeakPolarHBondContact CB-O 3.48Å; D72-G77 PolarHBondContact N-O 3.12Å
73E72.4Confident80.8Confident207 Ų20771.1 Ų71.197%0.96742%0.415SS*.THydrogen-bonded Turntrans-55.2-22.5177.5-63.5-162.8108.800113.2
74S67.1Low81.1Confident96 Ų9672.6 Ų72.667%0.67142%0.422SS*.THydrogen-bonded Turntrans-79.4-21.1180-48.90000113.8D72 D76D72-S74 PolarHBondContact O-N 2.9Å; D72-S74 VanDerWaalsContact OD1-CB 3.23Å; D72-S74 WeakPolarHBondContact OD1-CB 3.2Å; D72-S74 PolarHBondContact OD1-N 3.49Å; D72-S74 PolarHBondContact OD1-OG 2.74Å; S74-D76 PolarHBondContact O-N 2.79Å; S74-D76 VanDerWaalsContact O-N 3.15Å
75G62.2Low81.3Confident69 Ų6972.7 Ų72.771%0.71143%0.425SS*.SBendtrans65.85.8-175.300000115.4D72D72-G75 PolarHBondContact O-N 3.16Å
76D65Low81.3Confident161 Ų16178.1 Ų78.186%0.86145%0.453SS*.SBendtrans-87.9-10.4178.8-162.4-117.8000112.2S74S74-D76 PolarHBondContact O-N 2.79Å; S74-D76 VanDerWaalsContact O-N 3.15Å
77G68.7Low81.3Confident45 Ų4584.2 Ų84.246%0.46448%0.479SS..  trans-172.6160.9178.400000111.3D72D72-G77 VanDerWaalsContact CB-O 3.29Å; D72-G77 WeakPolarHBondContact CB-O 3.48Å; D72-G77 PolarHBondContact N-O 3.12Å
78G74.4Confident81.2Confident43 Ų4382.7 Ų82.744%0.44347%0.472SS..EExtended strand (participates in β ladder)trans-112.2156.317000000110.5E70E70-G78 CarbonylContact O-C 3.59Å; E70-G78 VanDerWaalsContact O-CA 3.28Å; E70-G78 WeakPolarHBondContact O-CA 3.31Å
79K82.6Confident81.1Confident136 Ų13687.5 Ų87.559%0.59149%0.49SS*.EExtended strand (participates in β ladder)trans-95.4120.6164.6-173.7-174.6176.4-150.40107.8E70 V81E70-K79 WeakPolarHBondContact CB-O 3.41Å; E70-K79 PolarHBondContact N-O 3.43Å; E70-K79 PolarHBondContact O-N 3.47Å; K79-V81 HydrophobicContact CD-CG2 4.05Å; K79-V81 HydrophobicContact CG-CG2 4.08Å
80L86.7Confident81.2Confident37 Ų3791 Ų9119%0.19451%0.508CS..EExtended strand (participates in β ladder)trans-83.7122.5170.4-63.3168.1000108.8L19 L21 V47 L49 M67 I68 N69L19-L80 HydrophobicContact CD2-CD1 4.46Å; L21-L80 HydrophobicContact CD1-CD1 3.94Å; L21-L80 HydrophobicContact CD2-CD1 3.47Å; L21-L80 VanDerWaalsContact CD2-CD1 3.47Å; L21-L80 HydrophobicContact CG-CD1 3.83Å; V47-L80 HydrophobicContact CG2-CD2 4Å; L49-L80 HydrophobicContact CD1-CD1 3.64Å; M67-L80 HydrophobicContact CB-CB 4.1Å; M67-L80 HydrophobicContact CB-CD2 4.28Å; M67-L80 HydrophobicContact SD-CB 3.56Å; M67-L80 VanDerWaalsContact SD-CB 3.56Å; M67-L80 HydrophobicContact SD-CD1 4.23Å; M67-L80 HydrophobicContact SD-CG 4.45Å; I68-L80 CarbonylContact O-C 3.54Å; I68-L80 VanDerWaalsContact O-CA 3.27Å; I68-L80 WeakPolarHBondContact O-CA 3.48Å; N69-L80 HydrophobicContact CB-CD2 3.99Å
81V88.1Confident81.2Confident23 Ų2387.4 Ų87.414%0.13949%0.492CS..EExtended strand (participates in β ladder)trans-112.7130.8-178.7-1750000109M67 I68 E70 K79M67-V81 CarbonylContact C-O 3.59Å; I68-V81 HydrophobicContact CB-CB 4.3Å; I68-V81 PolarHBondContact N-O 3.09Å; I68-V81 PolarHBondContact O-N 2.83Å; E70-V81 HydrophobicContact CG-CG2 4.19Å; E70-V81 WeakPolarHBondContact OE2-CG2 3.15Å; K79-V81 HydrophobicContact CD-CG2 4.05Å; K79-V81 HydrophobicContact CG-CG2 4.08Å
82P88.6Confident81.6Confident84 Ų8483.9 Ų83.955%0.54547%0.468SS..EExtended strand (participates in β ladder)trans-63147176.827.4-35.3000110.7E84P82-E84 PolarHBondContact O-N 2.79Å
83I88.8Confident82.2Confident11 Ų1185 Ų856%0.05647%0.471CS..  trans-74.6123.5174.1-60.8120.9000109.4Y46 P66 I68 E88 W89 I92Y46-I83 HydrophobicContact CD1-CG1 4.29Å; Y46-I83 HydrophobicContact CE1-CG1 4.41Å; P66-I83 VanDerWaalsContact C-CD1 3.41Å; P66-I83 HydrophobicContact CB-CD1 3.5Å; P66-I83 HydrophobicContact CG-CD1 3.89Å; P66-I83 WeakPolarHBondContact O-CD1 3.26Å; I68-I83 HydrophobicContact CD1-CG1 4.29Å; I68-I83 HydrophobicContact CG1-CG1 3.9Å; I83-E88 HydrophobicContact CG2-CB 3.28Å; I83-E88 HydrophobicContact CG2-CG 4.33Å; I83-W89 HydrophobicContact CB-CZ2 4.47Å; I83-W89 VanDerWaalsContact CG2-CD1 3.47Å; I83-W89 HydrophobicContact CG2-CD2 4.44Å; I83-W89 HydrophobicContact CG2-CG 4.02Å; I83-W89 PolarHBondContact O-NE1 2.93Å; I83-I92 HydrophobicContact CD1-CD1 3.14Å; I83-I92 HydrophobicContact CG1-CD1 3.68Å
84E86.1Confident82.8Confident169 Ų16981 Ų8179%0.7945%0.452SS*.  trans-106.5-12.7-178.3-62.5-174100.200112.9P82P82-E84 PolarHBondContact O-N 2.79Å
85T88.7Confident83.7Confident54 Ų5477 Ų7733%0.33142%0.424SS..  trans-108.9135.9-17375.60000112.4E87 E88 W89T85-E87 PolarHBondContact O-N 2.72Å; T85-E88 WeakPolarHBondContact CB-OE2 3.4Å; T85-E88 WeakPolarHBondContact CG2-OE2 3.43Å; T85-E88 PolarHBondContact O-N 2.83Å; T85-E88 WeakPolarHBondContact OG1-CB 3.44Å; T85-E88 WeakPolarHBondContact OG1-CG 3.3Å; T85-E88 PolarHBondContact OG1-N 2.74Å; T85-E88 PolarHBondContact OG1-OE2 3.48Å; T85-W89 VanDerWaalsContact O-CD1 3.24Å; T85-W89 PolarHBondContact O-N 3.45Å; T85-W89 VanDerWaalsContact O-N 3.08Å
86D89.6Confident84.7Confident146 Ų14675.1 Ų75.178%0.78140%0.398SS*.Hα-helixtrans-56.1-35.6175.2-84.2-105.5000112.3E88 W89 D90D86-E88 VanDerWaalsContact C-N 3.34Å; D86-E88 PolarHBondContact O-N 3.49Å; D86-W89 PolarHBondContact O-N 2.82Å; D86-D90 WeakPolarHBondContact O-CB 3.3Å; D86-D90 PolarHBondContact O-N 3.16Å
87E89Confident85.6Confident145 Ų14570.8 Ų70.868%0.67838%0.375SS*.Hα-helixtrans-64.1-39.6179.6-63.6179.299.400111.9F42 T85 M91F42-E87 HydrophobicContact CZ-CB 4.12Å; T85-E87 PolarHBondContact O-N 2.72Å; E87-M91 WeakPolarHBondContact O-CB 3.4Å; E87-M91 PolarHBondContact O-N 2.86Å
88E88Confident86.3Confident5 Ų572.3 Ų72.32%0.02338%0.375CS..Hα-helixtrans-71.3-38175.7-70.6170.8128.300111F42 K44 Y46 I68 I83 T85 D86 I92F42-E88 HydrophobicContact CD2-CG 4.18Å; F42-E88 HydrophobicContact CE2-CG 3.96Å; F42-E88 HydrophobicContact CZ-CG 4.14Å; K44-E88 IonicContact NZ-OE1 3Å; K44-E88 PolarHBondContact NZ-OE1 2.94Å; Y46-E88 HydrophobicContact CE1-CB 3.96Å; Y46-E88 HydrophobicContact CE1-CG 3.78Å; Y46-E88 WeakPolarHBondContact CE1-OE1 3.47Å; Y46-E88 WeakPolarHBondContact OH-CG 3.14Å; Y46-E88 PolarHBondContact OH-OE1 2.83Å; I68-E88 WeakPolarHBondContact CD1-OE1 3.48Å; I83-E88 HydrophobicContact CG2-CB 3.28Å; I83-E88 HydrophobicContact CG2-CG 4.33Å; T85-E88 WeakPolarHBondContact CB-OE2 3.4Å; T85-E88 WeakPolarHBondContact CG2-OE2 3.43Å; T85-E88 PolarHBondContact O-N 2.83Å; T85-E88 WeakPolarHBondContact OG1-CB 3.44Å; T85-E88 WeakPolarHBondContact OG1-CG 3.3Å; T85-E88 PolarHBondContact OG1-N 2.74Å; T85-E88 PolarHBondContact OG1-OE2 3.48Å; D86-E88 VanDerWaalsContact C-N 3.34Å; D86-E88 PolarHBondContact O-N 3.49Å; E88-I92 VanDerWaalsContact O-CD1 3.31Å; E88-I92 WeakPolarHBondContact O-CD1 3.4Å; E88-I92 VanDerWaalsContact O-CG1 3.24Å; E88-I92 WeakPolarHBondContact O-CG1 3.11Å; E88-I92 PolarHBondContact O-N 2.81Å
89W89.9Confident86.5Confident107 Ų10773.3 Ų73.341%0.40537%0.369SS..Hα-helixtrans-63.2-49.1175-84.3104.5000112.4P66 I83 T85 D86 M91 I92 E93P66-W89 HydrophobicContact CG-CE3 4.32Å; P66-W89 HydrophobicContact CG-CH2 3.38Å; P66-W89 HydrophobicContact CG-CZ2 4.22Å; P66-W89 HydrophobicContact CG-CZ3 3.45Å; P66-W89 VanDerWaalsContact CG-CZ3 3.45Å; I83-W89 HydrophobicContact CB-CZ2 4.47Å; I83-W89 VanDerWaalsContact CG2-CD1 3.47Å; I83-W89 HydrophobicContact CG2-CD2 4.44Å; I83-W89 HydrophobicContact CG2-CG 4.02Å; I83-W89 PolarHBondContact O-NE1 2.93Å; T85-W89 VanDerWaalsContact O-CD1 3.24Å; T85-W89 PolarHBondContact O-N 3.45Å; T85-W89 VanDerWaalsContact O-N 3.08Å; D86-W89 PolarHBondContact O-N 2.82Å; W89-M91 VanDerWaalsContact C-N 3.28Å; W89-M91 PolarHBondContact O-N 3.4Å; W89-I92 PolarHBondContact O-N 2.74Å; W89-I92 VanDerWaalsContact O-N 3.11Å; W89-E93 WeakPolarHBondContact O-CG 3.22Å; W89-E93 PolarHBondContact O-N 2.74Å
90D89.9Confident85.9Confident106 Ų10673 Ų7357%0.56737%0.371SS*.Hα-helixtrans-56.9-44178.7-171.6-102.2000110.8D86 E93 E94D86-D90 WeakPolarHBondContact O-CB 3.3Å; D86-D90 PolarHBondContact O-N 3.16Å; D90-E93 PolarHBondContact O-N 2.97Å; D90-E94 VanDerWaalsContact O-CG 3.28Å; D90-E94 WeakPolarHBondContact O-CG 3.17Å; D90-E94 PolarHBondContact O-N 3.41Å
91M85.7Confident84.8Confident20 Ų2078.8 Ų78.810%0.09940%0.397CS..Hα-helixtrans-62.8-45.3174.9174.7-165.663.100112.8F37 H39 F42 Y46 E87 W89 E93 E94 V95F37-M91 HydrophobicContact CE2-CE 3.58Å; F37-M91 HydrophobicContact CE2-CG 4.14Å; F37-M91 HydrophobicContact CE2-SD 3.75Å; F37-M91 HydrophobicContact CZ-CE 3.85Å; F37-M91 HydrophobicContact CZ-CG 4.41Å; F37-M91 HydrophobicContact CZ-SD 4.41Å; H39-M91 HydrophobicContact CB-CE 4.46Å; H39-M91 HydrophobicContact CB-SD 3.95Å; H39-M91 PolarHBondContact CD2-SD 2.89Å; H39-M91 PolarHBondContact NE2-SD 2.76Å; F42-M91 HydrophobicContact CD2-CE 4.48Å; F42-M91 HydrophobicContact CD2-SD 4.44Å; F42-M91 HydrophobicContact CE2-SD 4.4Å; Y46-M91 HydrophobicContact CD1-CE 4.02Å; Y46-M91 HydrophobicContact CD2-CE 3.77Å; Y46-M91 HydrophobicContact CE1-CE 3.86Å; Y46-M91 HydrophobicContact CE2-CE 3.65Å; Y46-M91 HydrophobicContact CG-CE 3.96Å; E87-M91 WeakPolarHBondContact O-CB 3.4Å; E87-M91 PolarHBondContact O-N 2.86Å; W89-M91 VanDerWaalsContact C-N 3.28Å; W89-M91 PolarHBondContact O-N 3.4Å; M91-E93 VanDerWaalsContact C-N 3.32Å; M91-E94 PolarHBondContact O-N 2.87Å; M91-V95 VanDerWaalsContact O-CG2 3.31Å; M91-V95 WeakPolarHBondContact O-CG2 3.16Å; M91-V95 PolarHBondContact O-N 2.81Å
92I87.5Confident83Confident7 Ų787.9 Ų87.94%0.03644%0.438CS..Hα-helixtrans-63.7-42.3178.2-71.9159.7000110.2F37 Y46 I48 P66 I83 E88 W89 E94 V95 V96F37-I92 HydrophobicContact CE1-CG1 4.17Å; F37-I92 HydrophobicContact CZ-CG1 3.67Å; Y46-I92 HydrophobicContact CD1-CD1 3.88Å; Y46-I92 HydrophobicContact CD1-CG1 4.38Å; I48-I92 HydrophobicContact CD1-CG2 4.2Å; I48-I92 HydrophobicContact CG1-CG2 4.29Å; P66-I92 HydrophobicContact CB-CD1 4.1Å; P66-I92 HydrophobicContact CB-CG2 3.93Å; I83-I92 HydrophobicContact CD1-CD1 3.14Å; I83-I92 HydrophobicContact CG1-CD1 3.68Å; E88-I92 VanDerWaalsContact O-CD1 3.31Å; E88-I92 WeakPolarHBondContact O-CD1 3.4Å; E88-I92 VanDerWaalsContact O-CG1 3.24Å; E88-I92 WeakPolarHBondContact O-CG1 3.11Å; E88-I92 PolarHBondContact O-N 2.81Å; W89-I92 PolarHBondContact O-N 2.74Å; W89-I92 VanDerWaalsContact O-N 3.11Å; I92-E94 VanDerWaalsContact C-N 3.34Å; I92-E94 PolarHBondContact O-N 2.72Å; I92-V95 PolarHBondContact O-N 2.74Å; I92-V96 HydrophobicContact CG2-CG2 3.96Å; I92-V96 VanDerWaalsContact O-CB 3.26Å; I92-V96 WeakPolarHBondContact O-CB 3.41Å; I92-V96 WeakPolarHBondContact O-CG2 3.3Å; I92-V96 PolarHBondContact O-N 2.81Å
93E86.6Confident82.8Confident113 Ų11388.1 Ų88.153%0.52843%0.433SS..Hα-helixtrans-58.9-46.7174.7-72.7-161.691.100110.5W89 D90 M91 V95 V96 N97W89-E93 WeakPolarHBondContact O-CG 3.22Å; W89-E93 PolarHBondContact O-N 2.74Å; D90-E93 PolarHBondContact O-N 2.97Å; M91-E93 VanDerWaalsContact C-N 3.32Å; E93-V95 PolarHBondContact O-N 3.24Å; E93-V96 PolarHBondContact O-N 3.13Å; E93-N97 VanDerWaalsContact O-CB 3.3Å; E93-N97 WeakPolarHBondContact O-CB 3.24Å; E93-N97 PolarHBondContact O-N 3.38Å; E93-N97 PolarHBondContact O-ND2 3.12Å
94E86.4Confident82.4Confident125 Ų12592.2 Ų92.258%0.58445%0.452SS*.Hα-helixtrans-60.9-43177.6-70.7-76.7101.800112.3D90 M91 I92 T98D90-E94 VanDerWaalsContact O-CG 3.28Å; D90-E94 WeakPolarHBondContact O-CG 3.17Å; D90-E94 PolarHBondContact O-N 3.41Å; M91-E94 PolarHBondContact O-N 2.87Å; I92-E94 VanDerWaalsContact C-N 3.34Å; I92-E94 PolarHBondContact O-N 2.72Å; E94-T98 VanDerWaalsContact O-CB 3.3Å; E94-T98 WeakPolarHBondContact O-CB 3.46Å; E94-T98 PolarHBondContact O-N 2.75Å; E94-T98 PolarHBondContact O-OG1 3.24Å
95V84.9Confident82.2Confident12 Ų1287.9 Ų87.97%0.07343%0.434CS..Hα-helixtrans-66.7-45.5178.1172.50000110.9L10 I12 L35 F37 M91 I92 E93 T98 E99L10-V95 HydrophobicContact CD1-CG2 3.97Å; I12-V95 HydrophobicContact CD1-CG1 3.82Å; I12-V95 HydrophobicContact CD1-CG2 4.32Å; L35-V95 HydrophobicContact CD2-CG1 3.36Å; F37-V95 HydrophobicContact CD1-CB 4.48Å; F37-V95 HydrophobicContact CD1-CG1 3.8Å; F37-V95 HydrophobicContact CE1-CB 4.06Å; F37-V95 HydrophobicContact CE1-CG1 3.82Å; F37-V95 HydrophobicContact CE1-CG2 4.2Å; F37-V95 HydrophobicContact CE2-CG2 4.19Å; F37-V95 HydrophobicContact CG-CG1 4.42Å; F37-V95 HydrophobicContact CZ-CB 4.27Å; F37-V95 HydrophobicContact CZ-CG1 4.44Å; F37-V95 HydrophobicContact CZ-CG2 4.01Å; M91-V95 VanDerWaalsContact O-CG2 3.31Å; M91-V95 WeakPolarHBondContact O-CG2 3.16Å; M91-V95 PolarHBondContact O-N 2.81Å; I92-V95 PolarHBondContact O-N 2.74Å; E93-V95 PolarHBondContact O-N 3.24Å; V95-T98 PolarHBondContact O-N 2.79Å; V95-E99 WeakPolarHBondContact O-CG 3.26Å; V95-E99 PolarHBondContact O-N 3.14Å
96V83.8Confident81.9Confident28 Ų2889.9 Ų89.917%0.1744%0.44CS..Hα-helixtrans-65.1-44.6178.8171.30000110.8I48 L64 I92 E93 T98 E99 M100I48-V96 HydrophobicContact CD1-CG2 3.37Å; I48-V96 HydrophobicContact CG1-CG2 4.25Å; L64-V96 HydrophobicContact CD1-CG1 4.2Å; I92-V96 HydrophobicContact CG2-CG2 3.96Å; I92-V96 VanDerWaalsContact O-CB 3.26Å; I92-V96 WeakPolarHBondContact O-CB 3.41Å; I92-V96 WeakPolarHBondContact O-CG2 3.3Å; I92-V96 PolarHBondContact O-N 2.81Å; E93-V96 PolarHBondContact O-N 3.13Å; V96-T98 VanDerWaalsContact C-N 3.32Å; V96-T98 PolarHBondContact O-N 3.09Å; V96-E99 PolarHBondContact O-N 3.03Å; V96-M100 HydrophobicContact CG1-CG 4.01Å; V96-M100 HydrophobicContact CG1-SD 3.43Å; V96-M100 WeakPolarHBondContact CG1-SD 3.28Å; V96-M100 WeakPolarHBondContact O-CB 3.35Å; V96-M100 VanDerWaalsContact O-CG 3.22Å; V96-M100 WeakPolarHBondContact O-CG 3.28Å; V96-M100 PolarHBondContact O-N 3.16Å
97N83.7Confident81.4Confident71 Ų7186.4 Ų86.438%0.3842%0.418SS..Hα-helixtrans-62.2-43175.1-79.9-83.4000110.2E93 E99 M100 E101E93-N97 VanDerWaalsContact O-CB 3.3Å; E93-N97 WeakPolarHBondContact O-CB 3.24Å; E93-N97 PolarHBondContact O-N 3.38Å; E93-N97 PolarHBondContact O-ND2 3.12Å; N97-E99 PolarHBondContact O-N 2.65Å; N97-M100 PolarHBondContact O-N 3.17Å; N97-E101 WeakPolarHBondContact O-CB 3.37Å; N97-E101 WeakPolarHBondContact O-CG 3.48Å; N97-E101 PolarHBondContact O-N 2.86Å
98T82.4Confident80.9Confident77 Ų7782.5 Ų82.547%0.47240%0.401SS..Hα-helixtrans-60.2-48.5176.9-59.70000111.8E94 V95 V96 E102E94-T98 VanDerWaalsContact O-CB 3.3Å; E94-T98 WeakPolarHBondContact O-CB 3.46Å; E94-T98 PolarHBondContact O-N 2.75Å; E94-T98 PolarHBondContact O-OG1 3.24Å; V95-T98 PolarHBondContact O-N 2.79Å; V96-T98 VanDerWaalsContact C-N 3.32Å; V96-T98 PolarHBondContact O-N 3.09Å; T98-E102 WeakPolarHBondContact O-CG 3.31Å
99E78.6Confident80.4Confident64 Ų6488 Ų8830%0.29943%0.428SS..Hα-helixtrans-77.1-26.9-177-66.2-75.4115.100113.5I12 L35 V95 V96 N97I12-E99 HydrophobicContact CG2-CG 4.37Å; L35-E99 HydrophobicContact CD1-CB 4.2Å; L35-E99 HydrophobicContact CD1-CG 3.79Å; L35-E99 HydrophobicContact CD2-CG 4.02Å; V95-E99 WeakPolarHBondContact O-CG 3.26Å; V95-E99 PolarHBondContact O-N 3.14Å; V96-E99 PolarHBondContact O-N 3.03Å; N97-E99 PolarHBondContact O-N 2.65Å
100M70.8Confident79.6Confident130 Ų13086.5 Ų86.564%0.6443%0.43SS*.Hα-helixtrans-92-18.8179.6-64.3-17274.900114L64 V96 N97L64-M100 HydrophobicContact CD1-CE 4.48Å; L64-M100 HydrophobicContact CD1-SD 3.78Å; V96-M100 HydrophobicContact CG1-CG 4.01Å; V96-M100 HydrophobicContact CG1-SD 3.43Å; V96-M100 WeakPolarHBondContact CG1-SD 3.28Å; V96-M100 WeakPolarHBondContact O-CB 3.35Å; V96-M100 VanDerWaalsContact O-CG 3.22Å; V96-M100 WeakPolarHBondContact O-CG 3.28Å; V96-M100 PolarHBondContact O-N 3.16Å; N97-M100 PolarHBondContact O-N 3.17Å
101E64.5Low78.8Confident158 Ų15884.9 Ų84.974%0.73842%0.418SS*.Hα-helixtrans-83.9-16.1172.5-69.4-173.789.900113N97N97-E101 WeakPolarHBondContact O-CB 3.37Å; N97-E101 WeakPolarHBondContact O-CG 3.48Å; N97-E101 PolarHBondContact O-N 2.86Å
102E50.2Low78.1Confident214 Ų21490.8 Ų90.8100%145%0.447SS*.  trans-85.10174.6-68.5-146.3106.400114T98T98-E102 WeakPolarHBondContact O-CG 3.31Å

Retrieved 102 of 102 residues in 242.7 ms (Link to these results)

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