A0A077ZGL1_TRITR Loading...

Integrase p58-like C-terminal domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZGL1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 153 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
1M39.6Very low69.4Low235 Ų235105.4 Ų105.4100%1.15850%0.498SS*.  0128.60-71.3-141.7-109.400108.7
2R51.2Low70.8Confident232 Ų23299.5 Ų99.588%0.87548%0.481SS*.PPolyproline II helixtrans-74130.1-178.2-69.9178.1173.8-172.3-2.4109.2W4R2-W4 PolarHBondContact O-N 3.31Å
3P60.4Low72.4Confident110 Ų110100.8 Ų100.871%0.71449%0.485SS*.PPolyproline II helixtrans-59.4131.5172.522-29.3000109.2K5P3-K5 PolarHBondContact O-N 3.07Å
4W57.5Low73.5Confident138 Ų138101.1 Ų101.152%0.52349%0.49SS..PPolyproline II helixtrans-65.7124.9-176.6-5989.2000109.3R2R2-W4 PolarHBondContact O-N 3.31Å
5K60.9Low74.5Confident189 Ų18996.9 Ų96.982%0.82248%0.475SS*.  trans-104.4110.3-175.9-72.4-175.1179-175.50109.6P3P3-K5 PolarHBondContact O-N 3.07Å
6G71.7Confident75.3Confident30 Ų3097.6 Ų97.631%0.30949%0.489SS..SBendtrans136.7170.8160.900000114.4Y8G6-Y8 WeakPolarHBondContact O-CD2 3.12Å
7L79.1Confident76Confident17 Ų1795.6 Ų95.69%0.08948%0.483CS..EExtended strand (participates in β ladder)trans-89.5134.7-172.9-54.9175.2000109.9H23 A24 C41 I45 L47 I135L7-H23 PolarHBondContact O-CD2 3.31Å; L7-H23 VanDerWaalsContact O-CD2 3.32Å; L7-A24 HydrophobicContact CB-CB 4.39Å; L7-A24 WeakPolarHBondContact O-CB 3.33Å; L7-A24 PolarHBondContact O-N 3.36Å; L7-C41 HydrophobicContact CD2-CB 4.49Å; L7-C41 WeakPolarHBondContact CD2-SG 3.38Å; L7-I45 HydrophobicContact CD1-CB 4.01Å; L7-I45 HydrophobicContact CD1-CG2 3.54Å; L7-I45 HydrophobicContact CD2-CB 4.33Å; L7-I45 HydrophobicContact CD2-CD1 3.52Å; L7-I45 HydrophobicContact CD2-CG2 4.18Å; L7-I45 HydrophobicContact CG-CG2 4.15Å; L7-L47 HydrophobicContact CB-CD2 4.31Å; L7-L47 HydrophobicContact CD1-CD1 3.85Å; L7-L47 HydrophobicContact CD1-CD2 3.28Å; L7-L47 HydrophobicContact CD1-CG 3.41Å; L7-L47 VanDerWaalsContact CD1-CG 3.41Å; L7-L47 HydrophobicContact CG-CD2 4.39Å; L7-I135 WeakPolarHBondContact CA-O 3.4Å; L7-I135 HydrophobicContact CD2-CB 4.27Å; L7-I135 HydrophobicContact CD2-CG2 3.82Å
8Y84.3Confident76.6Confident5 Ų592.3 Ų92.32%0.0247%0.469CS..EExtended strand (participates in β ladder)trans-110.8154.9174.8-68.9-99.1000109.7G6 I21 Q22 H23 H31 Y134 I135 I136 E137G6-Y8 WeakPolarHBondContact O-CD2 3.12Å; Y8-I21 HydrophobicContact CD1-CB 4.39Å; Y8-I21 HydrophobicContact CD1-CD1 3.76Å; Y8-I21 HydrophobicContact CD1-CG1 4.14Å; Y8-I21 HydrophobicContact CE1-CD1 4.37Å; Y8-I21 HydrophobicContact CG-CD1 3.93Å; Y8-Q22 CarbonylContact C-O 3.5Å; Y8-Q22 WeakPolarHBondContact CA-O 3.35Å; Y8-H23 HydrophobicContact CD1-CB 3.96Å; Y8-H23 HydrophobicContact CE1-CB 3.67Å; Y8-H23 AromaticContact CE2-CD2 3.81Å; Y8-H23 AromaticContact CZ-CD2 3.75Å; Y8-H31 AromaticContact CE1-CD2 3.88Å; Y8-Y134 HydrophobicContact CD1-CD1 4.21Å; Y8-Y134 AromaticContact CD2-CD1 3.79Å; Y8-Y134 HydrophobicContact CD2-CD1 3.79Å; Y8-Y134 HydrophobicContact CE1-CD1 4.09Å; Y8-Y134 HydrophobicContact CE1-CE1 4.19Å; Y8-Y134 AromaticContact CE2-CD1 3.66Å; Y8-Y134 HydrophobicContact CE2-CD1 3.66Å; Y8-Y134 HydrophobicContact CE2-CE1 4.24Å; Y8-Y134 HydrophobicContact CG-CD1 4.07Å; Y8-Y134 AromaticContact CZ-CD1 3.81Å; Y8-Y134 AromaticContact CZ-CE1 3.96Å; Y8-I135 PolarHBondContact N-O 3.11Å; Y8-I136 CarbonylContact O-C 3.51Å; Y8-I136 VanDerWaalsContact O-CA 3.23Å; Y8-I136 WeakPolarHBondContact O-CA 2.96Å; Y8-E137 PolarHBondContact O-N 2.83Å
9R84.6Confident77.2Confident93 Ų9389.9 Ų89.935%0.35145%0.454SS..EExtended strand (participates in β ladder)trans-117.5142.8170.262.8177.1-176.3177.43.8109.3T11 I21 Q22R9-T11 HydrophobicContact CG-CG2 4.29Å; R9-T11 PolarHBondContact O-N 2.89Å; R9-I21 CarbonylContact O-C 3.59Å; R9-I21 VanDerWaalsContact O-CA 3.24Å; R9-I21 WeakPolarHBondContact O-CA 3.28Å; R9-Q22 HydrophobicContact CG-CB 4.32Å; R9-Q22 WeakPolarHBondContact CG-O 3.46Å; R9-Q22 VanDerWaalsContact CZ-OE1 3.27Å; R9-Q22 PolarHBondContact N-O 2.72Å; R9-Q22 PolarHBondContact O-N 3.44Å
10I86.5Confident77.7Confident58 Ų5891 Ų9130%0.29745%0.452SS..EExtended strand (participates in β ladder)trans-71.9125.3170.4-56.7178.4000107.6Y19 I21 L38 I136I10-Y19 HydrophobicContact CD1-CD1 4.04Å; I10-Y19 HydrophobicContact CD1-CE1 4.44Å; I10-Y19 HydrophobicContact CD1-CG 4.42Å; I10-Y19 HydrophobicContact CG2-CD1 3.83Å; I10-Y19 HydrophobicContact CG2-CG 4.48Å; I10-I21 HydrophobicContact CG1-CG2 4.22Å; I10-L38 HydrophobicContact CD1-CD1 4.33Å; I10-I136 HydrophobicContact CD1-CD1 3.92Å; I10-I136 HydrophobicContact CG1-CD1 4.38Å; I10-I136 HydrophobicContact CG1-CG2 4.29Å
11T87.3Confident78.2Confident52 Ų5286.6 Ų86.632%0.31943%0.43SS..EExtended strand (participates in β ladder)trans-102.4-31.3178.1590000112.6R9 R20 Q22R9-T11 HydrophobicContact CG-CG2 4.29Å; R9-T11 PolarHBondContact O-N 2.89Å; T11-R20 PolarHBondContact N-O 2.98Å; T11-R20 PolarHBondContact OG1-NE 2.82Å; T11-R20 VanDerWaalsContact OG1-NE 3.13Å; T11-R20 PolarHBondContact OG1-O 2.7Å; T11-Q22 HydrophobicContact CG2-CB 3.5Å
12A86.6Confident80.4Confident35 Ų3576.7 Ų76.729%0.28938%0.381SS..EExtended strand (participates in β ladder)trans-157.3150176.200000109.6L14 R20A12-L14 HydrophobicContact CB-CD2 4.49Å; A12-R20 HydrophobicContact CB-CB 4.28Å; A12-R20 PolarHBondContact N-O 2.75Å; A12-R20 PolarHBondContact O-N 3.18Å
13Q91Very high82Confident116 Ų11666.2 Ų66.254%0.54234%0.342SS..EExtended strand (participates in β ladder)trans-97119.8166.1-175.1171.613.700107.7S15 P16 Y19Q13-S15 WeakPolarHBondContact CG-O 3.04Å; Q13-S15 PolarHBondContact NE2-O 2.92Å; Q13-P16 PolarHBondContact NE2-O 2.8Å; Q13-Y19 HydrophobicContact CB-CD1 4.04Å; Q13-Y19 HydrophobicContact CB-CE1 4.04Å; Q13-Y19 HydrophobicContact CG-CD1 3.96Å; Q13-Y19 HydrophobicContact CG-CE1 3.63Å; Q13-Y19 PolarHBondContact NE2-OH 3.26Å
14L88.5Confident82.9Confident105 Ų10562 Ų6255%0.5532%0.317SS..EExtended strand (participates in β ladder)trans-94.1-28.3-178.5-60.3-179.2000111.7A12 T18 R20 V32A12-L14 HydrophobicContact CB-CD2 4.49Å; L14-T18 PolarHBondContact N-O 3.03Å; L14-R20 HydrophobicContact CD1-CB 4.32Å; L14-R20 HydrophobicContact CG-CB 4.37Å; L14-V32 HydrophobicContact CD1-CB 4.49Å; L14-V32 HydrophobicContact CD1-CG1 3.8Å; L14-V32 HydrophobicContact CD1-CG2 3.81Å
15S88Confident84Confident38 Ų3864.5 Ų64.527%0.26633%0.331SS..EExtended strand (participates in β ladder)trans-149.4172.2172.483.80000109.1Q13 V17 T18Q13-S15 WeakPolarHBondContact CG-O 3.04Å; Q13-S15 PolarHBondContact NE2-O 2.92Å; S15-V17 PolarHBondContact O-N 2.97Å; S15-V17 PolarHBondContact OG-N 3.2Å; S15-T18 PolarHBondContact N-O 3.14Å; S15-T18 VanDerWaalsContact N-O 3.15Å; S15-T18 PolarHBondContact O-N 3.18Å; S15-T18 WeakPolarHBondContact OG-CB 3.31Å; S15-T18 PolarHBondContact OG-N 2.78Å; S15-T18 PolarHBondContact OG-OG1 3.45Å; S15-T18 VanDerWaalsContact OG-OG1 3.12Å
16P87.8Confident84.9Confident108 Ų10863.6 Ų63.670%0.70132%0.323SS*.THydrogen-bonded Turntrans-52.3-28.9175.4-2836.5000113.7Q13 Y19Q13-P16 PolarHBondContact NE2-O 2.8Å; P16-Y19 PolarHBondContact O-OH 2.83Å
17V86.3Confident85.3Confident65 Ų6566.8 Ų66.839%0.39433%0.325SS..THydrogen-bonded Turntrans-117.4-3.5-175.1-62.10000114S15 H34 A35S15-V17 PolarHBondContact O-N 2.97Å; S15-V17 PolarHBondContact OG-N 3.2Å; V17-H34 VanDerWaalsContact CB-NE2 3.33Å; V17-H34 WeakPolarHBondContact CB-NE2 3.27Å; V17-H34 VanDerWaalsContact CG2-NE2 3.32Å; V17-H34 WeakPolarHBondContact CG2-NE2 3.47Å; V17-H34 CarbonylContact O-C 3.38Å; V17-H34 VanDerWaalsContact O-CA 3.23Å; V17-H34 WeakPolarHBondContact O-CA 3.32Å; V17-H34 PolarHBondContact O-CD2 2.85Å; V17-A35 PolarHBondContact O-N 2.79Å
18T87.4Confident85.5Confident36 Ų3677.9 Ų77.922%0.22137%0.366CS..EExtended strand (participates in β ladder)trans-123.1126.2-174.5-56.70000111L14 S15 V32 V33L14-T18 PolarHBondContact N-O 3.03Å; S15-T18 PolarHBondContact N-O 3.14Å; S15-T18 VanDerWaalsContact N-O 3.15Å; S15-T18 PolarHBondContact O-N 3.18Å; S15-T18 WeakPolarHBondContact OG-CB 3.31Å; S15-T18 PolarHBondContact OG-N 2.78Å; S15-T18 PolarHBondContact OG-OG1 3.45Å; S15-T18 VanDerWaalsContact OG-OG1 3.12Å; T18-V32 HydrophobicContact CG2-CG1 3.27Å; T18-V33 CarbonylContact C-O 3.59Å; T18-V33 WeakPolarHBondContact CA-O 3.14Å
19Y87.7Confident85.5Confident46 Ų4679.5 Ų79.518%0.1838%0.375CS..EExtended strand (participates in β ladder)trans-121.2140.4-175.4-60.7-85.9000111.1I10 Q13 P16 V32 V33 A35 L38I10-Y19 HydrophobicContact CD1-CD1 4.04Å; I10-Y19 HydrophobicContact CD1-CE1 4.44Å; I10-Y19 HydrophobicContact CD1-CG 4.42Å; I10-Y19 HydrophobicContact CG2-CD1 3.83Å; I10-Y19 HydrophobicContact CG2-CG 4.48Å; Q13-Y19 HydrophobicContact CB-CD1 4.04Å; Q13-Y19 HydrophobicContact CB-CE1 4.04Å; Q13-Y19 HydrophobicContact CG-CD1 3.96Å; Q13-Y19 HydrophobicContact CG-CE1 3.63Å; Q13-Y19 PolarHBondContact NE2-OH 3.26Å; P16-Y19 PolarHBondContact O-OH 2.83Å; Y19-V32 WeakPolarHBondContact O-CA 3.49Å; Y19-V33 PolarHBondContact N-O 2.99Å; Y19-V33 PolarHBondContact O-N 3.43Å; Y19-A35 HydrophobicContact CE2-CB 3.93Å; Y19-L38 HydrophobicContact CD2-CD1 3.46Å; Y19-L38 VanDerWaalsContact CD2-CD1 3.46Å; Y19-L38 HydrophobicContact CE2-CD1 4.06Å; Y19-L38 HydrophobicContact CG-CD1 3.88Å
20R88.1Confident85.6Confident111 Ų11177.8 Ų77.842%0.41938%0.375SS..EExtended strand (participates in β ladder)trans-90.6111.2166.7-166.5179961769.1109T11 A12 L14 V30 H31 V32T11-R20 PolarHBondContact N-O 2.98Å; T11-R20 PolarHBondContact OG1-NE 2.82Å; T11-R20 VanDerWaalsContact OG1-NE 3.13Å; T11-R20 PolarHBondContact OG1-O 2.7Å; A12-R20 HydrophobicContact CB-CB 4.28Å; A12-R20 PolarHBondContact N-O 2.75Å; A12-R20 PolarHBondContact O-N 3.18Å; L14-R20 HydrophobicContact CD1-CB 4.32Å; L14-R20 HydrophobicContact CG-CB 4.37Å; R20-V30 HydrophobicContact CG-CG1 3.58Å; R20-H31 CarbonylContact C-O 3.54Å; R20-H31 WeakPolarHBondContact CA-O 3.33Å; R20-V32 HydrophobicContact CB-CG2 4.42Å; R20-V32 HydrophobicContact CG-CG2 4.15Å
21I87.6Confident85.6Confident0 Ų077.3 Ų77.30%037%0.371CS..EExtended strand (participates in β ladder)trans-103.8153.7179.160.1166.5000111.6Y8 R9 I10 V30 H31 V33 L38 Y134 I136Y8-I21 HydrophobicContact CD1-CB 4.39Å; Y8-I21 HydrophobicContact CD1-CD1 3.76Å; Y8-I21 HydrophobicContact CD1-CG1 4.14Å; Y8-I21 HydrophobicContact CE1-CD1 4.37Å; Y8-I21 HydrophobicContact CG-CD1 3.93Å; R9-I21 CarbonylContact O-C 3.59Å; R9-I21 VanDerWaalsContact O-CA 3.24Å; R9-I21 WeakPolarHBondContact O-CA 3.28Å; I10-I21 HydrophobicContact CG1-CG2 4.22Å; I21-V30 CarbonylContact O-C 3.48Å; I21-V30 WeakPolarHBondContact O-CA 3.16Å; I21-H31 HydrophobicContact CD1-CB 4.23Å; I21-H31 HydrophobicContact CG1-CB 3.9Å; I21-H31 WeakPolarHBondContact CG1-O 3.21Å; I21-H31 PolarHBondContact N-O 2.92Å; I21-H31 PolarHBondContact O-N 2.85Å; I21-V33 HydrophobicContact CD1-CB 4.42Å; I21-V33 HydrophobicContact CD1-CG1 3.67Å; I21-V33 HydrophobicContact CD1-CG2 3.81Å; I21-V33 HydrophobicContact CG1-CG1 4.03Å; I21-V33 HydrophobicContact CG1-CG2 3.97Å; I21-V33 HydrophobicContact CG2-CG2 3.91Å; I21-L38 HydrophobicContact CG2-CD2 3.97Å; I21-Y134 HydrophobicContact CD1-CD1 3.09Å; I21-Y134 HydrophobicContact CD1-CD2 3.96Å; I21-Y134 HydrophobicContact CD1-CE1 3.56Å; I21-Y134 HydrophobicContact CD1-CE2 4.37Å; I21-Y134 HydrophobicContact CD1-CG 3.28Å; I21-I136 HydrophobicContact CG2-CG2 4.13Å
22Q86Confident85.6Confident26 Ų2678.9 Ų78.912%0.12138%0.38CS..EExtended strand (participates in β ladder)trans-136.1136.5177.5-178.8-177.250.300110.2Y8 R9 T11 R27 D29 V30Y8-Q22 CarbonylContact C-O 3.5Å; Y8-Q22 WeakPolarHBondContact CA-O 3.35Å; R9-Q22 HydrophobicContact CG-CB 4.32Å; R9-Q22 WeakPolarHBondContact CG-O 3.46Å; R9-Q22 VanDerWaalsContact CZ-OE1 3.27Å; R9-Q22 PolarHBondContact N-O 2.72Å; R9-Q22 PolarHBondContact O-N 3.44Å; T11-Q22 HydrophobicContact CG2-CB 3.5Å; Q22-R27 PolarHBondContact NE2-O 3.44Å; Q22-D29 WeakPolarHBondContact CA-O 3.34Å; Q22-V30 HydrophobicContact CB-CG2 4.24Å; Q22-V30 HydrophobicContact CG-CG2 3.97Å
23H83.9Confident85.6Confident13 Ų1377.3 Ų77.36%0.0637%0.368CS..EExtended strand (participates in β ladder)trans-65.4138.2178.8-170-108.7000111.3L7 Y8 K25 R26 D29L7-H23 PolarHBondContact O-CD2 3.31Å; L7-H23 VanDerWaalsContact O-CD2 3.32Å; Y8-H23 HydrophobicContact CD1-CB 3.96Å; Y8-H23 HydrophobicContact CE1-CB 3.67Å; Y8-H23 AromaticContact CE2-CD2 3.81Å; Y8-H23 AromaticContact CZ-CD2 3.75Å; H23-K25 PolarHBondContact ND1-N 3.1Å; H23-K25 PolarHBondContact O-N 2.74Å; H23-R26 HydrophobicContact CB-CB 4.05Å; H23-R26 WeakPolarHBondContact ND1-CB 3.24Å; H23-R26 PolarHBondContact ND1-N 3.48Å; H23-R26 CarbonylContact O-C 3.55Å; H23-D29 HydrophobicContact CB-CB 3.9Å; H23-D29 PolarHBondContact N-O 2.68Å
24A79.4Confident85.4Confident22 Ų2275.5 Ų75.518%0.18236%0.359CS..SBendtrans-62.3-42.8-175.700000112.2L7 R27 L47L7-A24 HydrophobicContact CB-CB 4.39Å; L7-A24 WeakPolarHBondContact O-CB 3.33Å; L7-A24 PolarHBondContact O-N 3.36Å; A24-R27 VanDerWaalsContact O-CZ 3.24Å; A24-R27 PolarHBondContact O-NH1 3.43Å; A24-R27 VanDerWaalsContact O-NH1 3.09Å; A24-L47 HydrophobicContact CB-CD2 4.28Å
25K80.4Confident85.1Confident189 Ų18972.3 Ų72.382%0.82235%0.348SS*.SBendtrans-87.1-32.9178.3-60.8-175.2177.1-177.50113.1H23H23-K25 PolarHBondContact ND1-N 3.1Å; H23-K25 PolarHBondContact O-N 2.74Å
26R80.3Confident84.9Confident171 Ų17175.1 Ų75.165%0.64536%0.36SS*.  trans-111.484.6-173.1-64.7179.2-178.9-176.2-1.4109.2H23 R28 D29H23-R26 HydrophobicContact CB-CB 4.05Å; H23-R26 WeakPolarHBondContact ND1-CB 3.24Å; H23-R26 PolarHBondContact ND1-N 3.48Å; H23-R26 CarbonylContact O-C 3.55Å; R26-R28 PolarHBondContact O-N 2.74Å; R26-R28 VanDerWaalsContact O-N 3.11Å; R26-D29 HydrophobicContact CB-CB 3.83Å; R26-D29 VanDerWaalsContact O-CB 3.27Å; R26-D29 WeakPolarHBondContact O-CB 3.43Å; R26-D29 PolarHBondContact O-N 3.46Å
27R79.6Confident84.6Confident96 Ų9674.2 Ų74.236%0.36234%0.342SS..THydrogen-bonded Turntrans-61.4-22.8-177.3-62.3-64-173.3-146.42113.7Q22 A24 D29Q22-R27 PolarHBondContact NE2-O 3.44Å; A24-R27 VanDerWaalsContact O-CZ 3.24Å; A24-R27 PolarHBondContact O-NH1 3.43Å; A24-R27 VanDerWaalsContact O-NH1 3.09Å; R27-D29 PolarHBondContact O-N 3.33Å
28R84.5Confident84.3Confident250 Ų25072.6 Ų72.694%0.94333%0.331SS*.THydrogen-bonded Turntrans-75.3-14.5174.7-62.6-176.2-177.6174.90.5113.1R26 V30R26-R28 PolarHBondContact O-N 2.74Å; R26-R28 VanDerWaalsContact O-N 3.11Å; R28-V30 PolarHBondContact O-N 2.85Å
29D83.9Confident83.9Confident39 Ų3976.2 Ų76.221%0.20934%0.344CS..  trans-90.794.9-178-152.56.7000109.1Q22 H23 R26 R27 H31Q22-D29 WeakPolarHBondContact CA-O 3.34Å; H23-D29 HydrophobicContact CB-CB 3.9Å; H23-D29 PolarHBondContact N-O 2.68Å; R26-D29 HydrophobicContact CB-CB 3.83Å; R26-D29 VanDerWaalsContact O-CB 3.27Å; R26-D29 WeakPolarHBondContact O-CB 3.43Å; R26-D29 PolarHBondContact O-N 3.46Å; R27-D29 PolarHBondContact O-N 3.33Å; D29-H31 IonicContact OD1-CD2 3.91Å; D29-H31 IonicContact OD1-CE1 3.38Å; D29-H31 PolarHBondContact OD1-CE1 3.13Å; D29-H31 IonicContact OD1-NE2 2.99Å; D29-H31 PolarHBondContact OD1-NE2 3.43Å
30V86.8Confident83.1Confident57 Ų5779 Ų7935%0.34537%0.366SS..EExtended strand (participates in β ladder)trans-120.8129.1-176.6-179.60000108.3R20 I21 Q22 R28R20-V30 HydrophobicContact CG-CG1 3.58Å; I21-V30 CarbonylContact O-C 3.48Å; I21-V30 WeakPolarHBondContact O-CA 3.16Å; Q22-V30 HydrophobicContact CB-CG2 4.24Å; Q22-V30 HydrophobicContact CG-CG2 3.97Å; R28-V30 PolarHBondContact O-N 2.85Å
31H86.4Confident82Confident48 Ų4874.6 Ų74.622%0.22235%0.352CS..EExtended strand (participates in β ladder)trans-129.9152.6179-61.5-55.3000111.1Y8 R20 I21 D29 V33 Y134Y8-H31 AromaticContact CE1-CD2 3.88Å; R20-H31 CarbonylContact C-O 3.54Å; R20-H31 WeakPolarHBondContact CA-O 3.33Å; I21-H31 HydrophobicContact CD1-CB 4.23Å; I21-H31 HydrophobicContact CG1-CB 3.9Å; I21-H31 WeakPolarHBondContact CG1-O 3.21Å; I21-H31 PolarHBondContact N-O 2.92Å; I21-H31 PolarHBondContact O-N 2.85Å; D29-H31 IonicContact OD1-CD2 3.91Å; D29-H31 IonicContact OD1-CE1 3.38Å; D29-H31 PolarHBondContact OD1-CE1 3.13Å; D29-H31 IonicContact OD1-NE2 2.99Å; D29-H31 PolarHBondContact OD1-NE2 3.43Å; H31-V33 HydrophobicContact CB-CG1 4.07Å; H31-Y134 HydrophobicContact CB-CE1 4.41Å; H31-Y134 AromaticContact CD2-CE1 3.73Å
32V88.2Confident81Confident85 Ų8577.8 Ų77.852%0.51537%0.373SS..EExtended strand (participates in β ladder)trans-107.5123.7169.3178.60000107.1L14 T18 Y19 R20L14-V32 HydrophobicContact CD1-CB 4.49Å; L14-V32 HydrophobicContact CD1-CG1 3.8Å; L14-V32 HydrophobicContact CD1-CG2 3.81Å; T18-V32 HydrophobicContact CG2-CG1 3.27Å; Y19-V32 WeakPolarHBondContact O-CA 3.49Å; R20-V32 HydrophobicContact CB-CG2 4.42Å; R20-V32 HydrophobicContact CG-CG2 4.15Å
33V85Confident79.7Confident3 Ų383.1 Ų83.12%0.01841%0.41CS..EExtended strand (participates in β ladder)trans-136.4149-171.3-56.20000109.8T18 Y19 I21 H31 R37 L38 Y134T18-V33 CarbonylContact C-O 3.59Å; T18-V33 WeakPolarHBondContact CA-O 3.14Å; Y19-V33 PolarHBondContact N-O 2.99Å; Y19-V33 PolarHBondContact O-N 3.43Å; I21-V33 HydrophobicContact CD1-CB 4.42Å; I21-V33 HydrophobicContact CD1-CG1 3.67Å; I21-V33 HydrophobicContact CD1-CG2 3.81Å; I21-V33 HydrophobicContact CG1-CG1 4.03Å; I21-V33 HydrophobicContact CG1-CG2 3.97Å; I21-V33 HydrophobicContact CG2-CG2 3.91Å; H31-V33 HydrophobicContact CB-CG1 4.07Å; V33-R37 HydrophobicContact CB-CB 4.45Å; V33-L38 HydrophobicContact CG2-CD2 3.38Å; V33-L38 HydrophobicContact CG2-CG 4.05Å; V33-Y134 HydrophobicContact CB-CD2 4.16Å; V33-Y134 HydrophobicContact CB-CE2 4.16Å; V33-Y134 HydrophobicContact CG1-CD2 3.58Å; V33-Y134 HydrophobicContact CG1-CE1 4.33Å; V33-Y134 HydrophobicContact CG1-CE2 3.23Å; V33-Y134 HydrophobicContact CG1-CG 4.26Å; V33-Y134 HydrophobicContact CG2-CD2 4.46Å
34H88.5Confident78.5Confident77 Ų7788.9 Ų88.936%0.35644%0.441SS..EExtended strand (participates in β ladder)trans-83.2158.1174-173.6-87.8000110.2V17 D36 R37V17-H34 VanDerWaalsContact CB-NE2 3.33Å; V17-H34 WeakPolarHBondContact CB-NE2 3.27Å; V17-H34 VanDerWaalsContact CG2-NE2 3.32Å; V17-H34 WeakPolarHBondContact CG2-NE2 3.47Å; V17-H34 CarbonylContact O-C 3.38Å; V17-H34 VanDerWaalsContact O-CA 3.23Å; V17-H34 WeakPolarHBondContact O-CA 3.32Å; V17-H34 PolarHBondContact O-CD2 2.85Å; H34-D36 VanDerWaalsContact C-N 3.27Å; H34-D36 WeakPolarHBondContact CB-OD1 3.36Å; H34-D36 IonicContact CE1-OD1 3.86Å; H34-D36 IonicContact CG-OD1 3.28Å; H34-D36 VanDerWaalsContact CG-OD1 3.28Å; H34-D36 PolarHBondContact ND1-N 2.88Å; H34-D36 IonicContact ND1-OD1 2.69Å; H34-D36 PolarHBondContact ND1-OD1 2.75Å; H34-D36 IonicContact ND1-OD2 3.77Å; H34-D36 PolarHBondContact O-N 2.81Å; H34-R37 WeakPolarHBondContact O-CB 3.23Å; H34-R37 PolarHBondContact O-N 3.09Å
35A81.1Confident77.6Confident39 Ų3991.3 Ų91.332%0.32245%0.45SS..G310 helixtrans-60-35.8-172.800000112.9V17 Y19 R37 L38V17-A35 PolarHBondContact O-N 2.79Å; Y19-A35 HydrophobicContact CE2-CB 3.93Å; A35-R37 PolarHBondContact O-N 2.77Å; A35-L38 WeakPolarHBondContact O-CB 3.38Å; A35-L38 PolarHBondContact O-N 2.83Å
36D84Confident76.2Confident96 Ų9693.2 Ų93.251%0.51345%0.452SS..G310 helixtrans-59.8-23.3174.966.4-25.5000113.5H34H34-D36 VanDerWaalsContact C-N 3.27Å; H34-D36 WeakPolarHBondContact CB-OD1 3.36Å; H34-D36 IonicContact CE1-OD1 3.86Å; H34-D36 IonicContact CG-OD1 3.28Å; H34-D36 VanDerWaalsContact CG-OD1 3.28Å; H34-D36 PolarHBondContact ND1-N 2.88Å; H34-D36 IonicContact ND1-OD1 2.69Å; H34-D36 PolarHBondContact ND1-OD1 2.75Å; H34-D36 IonicContact ND1-OD2 3.77Å; H34-D36 PolarHBondContact O-N 2.81Å
37R81.1Confident75Confident89 Ų8987.3 Ų87.334%0.33643%0.433SS..G310 helixtrans-90.1-5.1177-59.1-178.1-177.3-173.4-1.9112.7V33 H34 A35 D133 Y134V33-R37 HydrophobicContact CB-CB 4.45Å; H34-R37 WeakPolarHBondContact O-CB 3.23Å; H34-R37 PolarHBondContact O-N 3.09Å; A35-R37 PolarHBondContact O-N 2.77Å; R37-D133 CarbonylContact O-C 3.54Å; R37-D133 WeakPolarHBondContact O-CA 3.33Å; R37-Y134 HydrophobicContact CB-CD2 4.23Å; R37-Y134 PolarHBondContact O-N 2.83Å
38L80.2Confident73.6Confident32 Ų3287.9 Ų87.917%0.16845%0.449CS..EExtended strand (participates in β ladder)trans-90.6126.2-179.9-62.3-179.2000109.8I10 Y19 I21 V33 A35 I136I10-L38 HydrophobicContact CD1-CD1 4.33Å; Y19-L38 HydrophobicContact CD2-CD1 3.46Å; Y19-L38 VanDerWaalsContact CD2-CD1 3.46Å; Y19-L38 HydrophobicContact CE2-CD1 4.06Å; Y19-L38 HydrophobicContact CG-CD1 3.88Å; I21-L38 HydrophobicContact CG2-CD2 3.97Å; V33-L38 HydrophobicContact CG2-CD2 3.38Å; V33-L38 HydrophobicContact CG2-CG 4.05Å; A35-L38 WeakPolarHBondContact O-CB 3.38Å; A35-L38 PolarHBondContact O-N 2.83Å; L38-I136 HydrophobicContact CB-CD1 4.08Å; L38-I136 HydrophobicContact CB-CG1 4.32Å; L38-I136 HydrophobicContact CD1-CD1 4.14Å; L38-I136 HydrophobicContact CD2-CG2 3.7Å
39K79.8Confident72Confident111 Ų11184 Ų8448%0.48344%0.442SS..EExtended strand (participates in β ladder)trans-109.4136.2170.4-79.8180170.7161.80109.4C41 D133 Y134 I135 I136K39-C41 PolarHBondContact O-N 2.8Å; K39-D133 HydrophobicContact CD-CB 3.57Å; K39-D133 WeakPolarHBondContact CE-OD2 3.33Å; K39-D133 HydrophobicContact CG-CB 3.85Å; K39-D133 IonicContact NZ-OD2 3.37Å; K39-D133 PolarHBondContact NZ-OD2 3.39Å; K39-Y134 PolarHBondContact N-O 2.67Å; K39-I135 HydrophobicContact CB-CG1 4.47Å; K39-I135 CarbonylContact O-C 3.41Å; K39-I135 VanDerWaalsContact O-CA 3.27Å; K39-I135 WeakPolarHBondContact O-CA 3.49Å; K39-I136 VanDerWaalsContact O-CG1 3.32Å; K39-I136 WeakPolarHBondContact O-CG1 3.38Å; K39-I136 PolarHBondContact O-N 3.02Å
40T70.7Confident70.3Confident105 Ų10590.6 Ų90.664%0.64447%0.469SS*.EExtended strand (participates in β ladder)trans-64134.9174.5-540000110.2P42 T138T40-P42 WeakPolarHBondContact O-CD 3.19Å; T40-T138 HydrophobicContact CG2-CG2 3.98Å
41C64.8Low68.2Low19 Ų1991.8 Ų91.813%0.12848%0.479CS..PPolyproline II helixtrans-56.6128.8168.3-79.10000110.7L7 K39 I135 I136 E137L7-C41 HydrophobicContact CD2-CB 4.49Å; L7-C41 WeakPolarHBondContact CD2-SG 3.38Å; K39-C41 PolarHBondContact O-N 2.8Å; C41-I135 VanDerWaalsContact CA-CG2 3.44Å; C41-I135 HydrophobicContact CB-CG2 4.06Å; C41-I135 WeakPolarHBondContact SG-CG2 3.36Å; C41-I136 WeakPolarHBondContact CB-O 3.42Å; C41-I136 PolarHBondContact N-O 2.94Å; C41-I136 PolarHBondContact SG-O 3.15Å; C41-E137 VanDerWaalsContact SG-CA 3.53Å; C41-E137 PolarHBondContact SG-N 2.94Å
42P65.5Low66.4Low67 Ų6794 Ų9444%0.43551%0.506SS..PPolyproline II helixtrans-58.1139.8159.50.85.3000109.3T40 D44 I45T40-P42 WeakPolarHBondContact O-CD 3.19Å; P42-D44 PolarHBondContact O-N 3.27Å; P42-D44 VanDerWaalsContact O-N 3.08Å; P42-I45 HydrophobicContact CG-CD1 3.9Å; P42-I45 HydrophobicContact CG-CG1 4.22Å; P42-I45 PolarHBondContact O-N 3.12Å
43P58.6Low64.1Low138 Ų138100 Ų10090%0.89652%0.519SS*.THydrogen-bonded Turntrans-64.2-14.7-176.826.2-34.9000113.7I45P43-I45 VanDerWaalsContact C-N 3.33Å; P43-I45 PolarHBondContact O-N 3.25Å
44D60.5Low62Low133 Ų133107.8 Ų107.871%0.71156%0.556SS**THydrogen-bonded Turntrans-79.2-13.2-175.8-164.435.7000113.9P42 R46P42-D44 PolarHBondContact O-N 3.27Å; P42-D44 VanDerWaalsContact O-N 3.08Å; D44-R46 VanDerWaalsContact C-N 3.31Å; D44-R46 PolarHBondContact O-N 3Å
45I60.6Low59.9Low74 Ų74114 Ų11438%0.37959%0.585SS.*SBendtrans-80.387.6177.9-41175.7000108.1L7 P42 P43 L47L7-I45 HydrophobicContact CD1-CB 4.01Å; L7-I45 HydrophobicContact CD1-CG2 3.54Å; L7-I45 HydrophobicContact CD2-CB 4.33Å; L7-I45 HydrophobicContact CD2-CD1 3.52Å; L7-I45 HydrophobicContact CD2-CG2 4.18Å; L7-I45 HydrophobicContact CG-CG2 4.15Å; P42-I45 HydrophobicContact CG-CD1 3.9Å; P42-I45 HydrophobicContact CG-CG1 4.22Å; P42-I45 PolarHBondContact O-N 3.12Å; P43-I45 VanDerWaalsContact C-N 3.33Å; P43-I45 PolarHBondContact O-N 3.25Å; I45-L47 PolarHBondContact O-N 3.27Å
46R49.4Very low57.9Low229 Ų229115.5 Ų115.586%0.86460%0.596SS**  trans-54.997174.8-64.5-176-178.4-176.7-0.6109.9D44D44-R46 VanDerWaalsContact C-N 3.31Å; D44-R46 PolarHBondContact O-N 3Å
47L55.6Low55.7Low47 Ų47114.5 Ų114.525%0.24661%0.609CS.*  trans-68.9144163.9-78.4165.5000107.8L7 A24 I45 E49 E137L7-L47 HydrophobicContact CB-CD2 4.31Å; L7-L47 HydrophobicContact CD1-CD1 3.85Å; L7-L47 HydrophobicContact CD1-CD2 3.28Å; L7-L47 HydrophobicContact CD1-CG 3.41Å; L7-L47 VanDerWaalsContact CD1-CG 3.41Å; L7-L47 HydrophobicContact CG-CD2 4.39Å; A24-L47 HydrophobicContact CB-CD2 4.28Å; I45-L47 PolarHBondContact O-N 3.27Å; L47-E49 PolarHBondContact O-N 2.83Å; L47-E137 HydrophobicContact CD1-CB 3.92Å; L47-E137 HydrophobicContact CD1-CG 3.44Å; L47-E137 VanDerWaalsContact CD1-CG 3.44Å; L47-E137 WeakPolarHBondContact CD1-OE1 3.39Å; L47-E137 VanDerWaalsContact CD1-OE2 3.31Å; L47-E137 WeakPolarHBondContact CD1-OE2 3.15Å
48P50.2Low53.8Low107 Ų107119.3 Ų119.370%0.69564%0.638SS**  trans-63.793.4158.328.4-29.1000105.1K50P48-K50 PolarHBondContact O-N 3.29Å
49E50.3Low51.9Low170 Ų170129 Ų12979%0.79467%0.672SS**  trans-46.8103.8154.2-174.2178.9157.400103.2L47 S51L47-E49 PolarHBondContact O-N 2.83Å; E49-S51 PolarHBondContact O-N 3.04Å
50K48.3Very low50.2Low177 Ų177134.6 Ų134.677%0.7769%0.69SS**  trans-62.996.2171.3-77.9-178.4168.7-130.90102.9P48 A52P48-K50 PolarHBondContact O-N 3.29Å; K50-A52 PolarHBondContact O-N 2.89Å; K50-A52 VanDerWaalsContact O-N 3.14Å
51S44.1Very low48.7Very low81 Ų81138.6 Ų138.657%0.56670%0.701SS**  trans-34.3121.7174.445.50000107.3E49 R53E49-S51 PolarHBondContact O-N 3.04Å; S51-R53 PolarHBondContact O-N 2.98Å; S51-R53 PolarHBondContact OG-O 3.35Å
52A48.2Very low47.5Very low95 Ų95143.5 Ų143.579%0.78573%0.731SS**SBendtrans-68.137.8166.300000111.2K50K50-A52 PolarHBondContact O-N 2.89Å; K50-A52 VanDerWaalsContact O-N 3.14Å
53R39.6Very low46.3Very low210 Ų210145.2 Ų145.279%0.79275%0.745SS**  trans-136.8108.9174.6-57.6-175.6-178.3-167.40.3102.1S51S51-R53 PolarHBondContact O-N 2.98Å; S51-R53 PolarHBondContact OG-O 3.35Å
54E41.5Very low45.5Very low168 Ų168144 Ų14479%0.78574%0.737SS**  -141.2122.550.4-73162.5124.600111.4A56E54-A56 HydrophobicContact CB-CB 3.92Å; E54-A56 PolarHBondContact O-N 2.89Å
55H43Very low44.7Very low208 Ų208147.8 Ų147.896%0.96374%0.741SS**  trans-66.378.9140.2-91.2-118.6000107.4
56A39.2Very low44.1Very low69 Ų69149.4 Ų149.457%0.5776%0.756SS**  trans-147117.3166.900000107.5E54 M58E54-A56 HydrophobicContact CB-CB 3.92Å; E54-A56 PolarHBondContact O-N 2.89Å; A56-M58 PolarHBondContact O-N 3.49Å
57G39.1Very low43.9Very low75 Ų75144.2 Ų144.277%0.77375%0.752SS**  trans-70129-161.300000113.2
58M40.3Very low43.4Very low191 Ų191146.9 Ų146.994%0.94178%0.775SS**  trans-115.1110.4151-131.873.717000108A56A56-M58 PolarHBondContact O-N 3.49Å
59R41.6Very low42.7Very low234 Ų234145 Ų14588%0.88377%0.774SS**  trans-51133.3-175-67.5167.784.5-168.87.6111.6Q61R59-Q61 PolarHBondContact O-N 3.37Å
60R42.4Very low42.3Very low229 Ų229145.2 Ų145.286%0.86478%0.775SS**  trans-0.698.6146.7-66.5176.5175.3166.3-1.6114.7T62R60-T62 HydrophobicContact CB-CG2 4.46Å
61Q39.8Very low42Very low190 Ų190142.2 Ų142.289%0.88877%0.774SS**  trans-98.288.5143.2-72.4-170.8-10.400106.9R59 S63R59-Q61 PolarHBondContact O-N 3.37Å; Q61-S63 VanDerWaalsContact C-N 3.27Å; Q61-S63 PolarHBondContact O-N 3.08Å
62T39.6Very low42Very low121 Ų121144.7 Ų144.774%0.74278%0.781SS**  trans-67.88916743.80000107.8R60R60-T62 HydrophobicContact CB-CG2 4.46Å
63S40.6Very low42Very low104 Ų104147.2 Ų147.273%0.72778%0.781SS**  trans-63.5129.2159175.90000107.6Q61 R65Q61-S63 VanDerWaalsContact C-N 3.27Å; Q61-S63 PolarHBondContact O-N 3.08Å; S63-R65 PolarHBondContact O-N 3.49Å
64P41.7Very low42Very low113 Ų113146.3 Ų146.373%0.73478%0.782SS**  trans-61.2123-173.923.3-30.7000109.7P66P64-P66 VanDerWaalsContact O-CD 3.28Å; P64-P66 WeakPolarHBondContact O-CD 3.23Å; P64-P66 VanDerWaalsContact O-N 3.14Å
65R43.7Very low42.1Very low212 Ų212143.1 Ų143.180%0.877%0.774SS**  trans-49113.7171.3179178.5-177.4179.80.2108.8S63S63-R65 PolarHBondContact O-N 3.49Å
66P48.6Very low41.6Very low108 Ų108144.9 Ų144.970%0.70177%0.773SS**  trans-61.4138.6166.924.7-29.8000107.8P64 S68P64-P66 VanDerWaalsContact O-CD 3.28Å; P64-P66 WeakPolarHBondContact O-CD 3.23Å; P64-P66 VanDerWaalsContact O-N 3.14Å; P66-S68 PolarHBondContact O-N 3.32Å
67P45.5Very low41.6Very low119 Ų119145.9 Ų145.977%0.77378%0.776SS**  trans-55.5141.4-174.221.7-31.8000109.9G69P67-G69 PolarHBondContact O-N 2.65Å
68S44.5Very low41.7Very low104 Ų104144.9 Ų144.973%0.72777%0.766SS**  trans-54.679.6173.147.90000111.2P66 Q70P66-S68 PolarHBondContact O-N 3.32Å; S68-Q70 PolarHBondContact O-N 2.68Å
69G35Very low41.4Very low66 Ų66147 Ų14768%0.6876%0.763SS**  trans-72.5104.7151.400000105.7P67P67-G69 PolarHBondContact O-N 2.65Å
70Q41.2Very low41.6Very low175 Ų175147.1 Ų147.182%0.81876%0.764SS**  trans-44.6132.8162.9-86.6-171.8-71.600107.5S68 D72S68-Q70 PolarHBondContact O-N 2.68Å; Q70-D72 PolarHBondContact O-N 2.9Å
71P43.5Very low41.7Very low114 Ų114144.7 Ų144.774%0.7476%0.762SS**  trans-64.590.815528.8-28.1000104L73P71-L73 VanDerWaalsContact C-N 3.28Å; P71-L73 PolarHBondContact O-N 3.34Å
72D43.8Very low41.8Very low134 Ų134141.1 Ų141.172%0.71777%0.765SS**  trans-41.9109.2157.6-151.78.9000103.1Q70 K74Q70-D72 PolarHBondContact O-N 2.9Å; D72-K74 PolarHBondContact O-N 3.11Å
73L47.2Very low41.8Very low148 Ų148137.6 Ų137.678%0.77575%0.753SS**  trans-57.497.5168.6-9093.7000101.8P71 T75P71-L73 VanDerWaalsContact C-N 3.28Å; P71-L73 PolarHBondContact O-N 3.34Å; L73-T75 PolarHBondContact O-N 3.05Å; L73-T75 PolarHBondContact O-OG1 2.96Å
74K39.7Very low42Very low190 Ų190136.8 Ų136.883%0.82676%0.761SS**  trans-63.573.2151.2-68.2-175179.6-177.20103.4D72 W76D72-K74 PolarHBondContact O-N 3.11Å; K74-W76 VanDerWaalsContact C-N 3.31Å; K74-W76 PolarHBondContact O-N 2.89Å
75T44Very low42.6Very low101 Ų101141.7 Ų141.762%0.6277%0.766SS**  -19.9111.4128.5-57.10000104.2L73 S77L73-T75 PolarHBondContact O-N 3.05Å; L73-T75 PolarHBondContact O-OG1 2.96Å; T75-S77 PolarHBondContact O-N 3.32Å; T75-S77 PolarHBondContact O-OG 2.86Å
76W32.7Very low43.3Very low245 Ų245138.1 Ų138.193%0.92876%0.762SS**  trans-64.563.1170.1-173.5-80.6000106.5K74 G78K74-W76 VanDerWaalsContact C-N 3.31Å; K74-W76 PolarHBondContact O-N 2.89Å; W76-G78 PolarHBondContact O-N 3.4Å
77S40.2Very low44.1Very low90 Ų90138.5 Ų138.563%0.62977%0.765SS**  trans-75.682.9154.556.30000102.4T75 R79T75-S77 PolarHBondContact O-N 3.32Å; T75-S77 PolarHBondContact O-OG 2.86Å; S77-R79 PolarHBondContact O-N 2.84Å
78G40.1Very low45.2Very low55 Ų55138 Ų13857%0.56777%0.77SS**  trans-54.688.4157.600000106.3W76 R80W76-G78 PolarHBondContact O-N 3.4Å; G78-R80 PolarHBondContact O-N 2.75Å
79R34.5Very low45.7Very low235 Ų235142.8 Ų142.889%0.88777%0.772SS**  trans-69.563.5162.6-169.8-166.9-78.5-112.64.4105.7S77 Q81S77-R79 PolarHBondContact O-N 2.84Å; R79-Q81 PolarHBondContact O-N 2.83Å; R79-Q81 VanDerWaalsContact O-N 3.11Å
80R45.4Very low47Very low236 Ų236147.1 Ų147.189%0.89178%0.777SS**  trans-72.597154.5-75.6-162.9-168.9-97.32.9104G78G78-R80 PolarHBondContact O-N 2.75Å
81Q44.2Very low48.1Very low178 Ų178144.8 Ų144.883%0.83278%0.775SS**  trans7.4121.1150.6-58.1-175.253.100114.2R79 G83R79-Q81 PolarHBondContact O-N 2.83Å; R79-Q81 VanDerWaalsContact O-N 3.11Å; Q81-G83 PolarHBondContact O-N 3.02Å
82A41.5Very low48.8Very low115 Ų115144.9 Ų144.995%0.9577%0.767SS**  trans-31.192.8164.300000112.7
83G39.9Very low48.9Very low47 Ų47142.1 Ų142.149%0.48577%0.771SS.*  trans-108.8115154.400000105Q81 Y85Q81-G83 PolarHBondContact O-N 3.02Å; G83-Y85 WeakPolarHBondContact O-CD2 3.48Å; G83-Y85 PolarHBondContact O-N 2.72Å
84G45.6Very low48.6Very low87 Ų87142.7 Ų142.790%0.89777%0.769SS**  trans-64.170.6-168.900000114.8L86G84-L86 PolarHBondContact O-N 3.31Å
85Y53Low48.6Very low216 Ų216140.9 Ų140.985%0.84777%0.769SS**  trans-82.7107.4165.4-70.6-80.1000108.2G83G83-Y85 WeakPolarHBondContact O-CD2 3.48Å; G83-Y85 PolarHBondContact O-N 2.72Å
86L58.8Low48.3Very low138 Ų138142.1 Ų142.172%0.72378%0.776SS**  trans-56.6129.2165.6-68.7172.5000107.8G84 A88G84-L86 PolarHBondContact O-N 3.31Å; L86-A88 PolarHBondContact O-N 3.45Å
87P66.6Low48.4Very low116 Ų116136.2 Ų136.275%0.75377%0.77SS**  trans-58.1138.6174.822.5-30.3000109.4R89P87-R89 PolarHBondContact O-N 2.73Å
88A67.4Low48.4Very low107 Ų107137 Ų13788%0.88477%0.772SS**  trans-56.7107.8177.500000109.4L86 M90L86-A88 PolarHBondContact O-N 3.45Å; A88-M90 PolarHBondContact O-N 3.21Å
89R56.4Low48.3Very low205 Ų205143.4 Ų143.477%0.77479%0.787SS**  trans-80.6115.5172.358.1-177.3170.2-115.1-2.2108.2P87 V91P87-R89 PolarHBondContact O-N 2.73Å; R89-V91 PolarHBondContact O-N 3.01Å
90M62.2Low48.5Very low158 Ų158139.1 Ų139.178%0.77878%0.782SS**  trans-74.2112.2171.2-17617059.300107.3A88 I92A88-M90 PolarHBondContact O-N 3.21Å; M90-I92 HydrophobicContact CE-CD1 4.18Å; M90-I92 HydrophobicContact CE-CG1 4.23Å; M90-I92 HydrophobicContact CG-CG1 4.28Å; M90-I92 PolarHBondContact O-N 2.69Å
91V64.2Low47.9Very low126 Ų126132.6 Ų132.676%0.76478%0.778SS**  trans-82.6100.7169-175.20000105.7R89 G93R89-V91 PolarHBondContact O-N 3.01Å; V91-G93 PolarHBondContact O-N 3.41Å
92I57.6Low47.3Very low115 Ų115127.6 Ų127.659%0.5978%0.775SS**  trans-72111.1165.6-60.2169.1000104.1M90 E94M90-I92 HydrophobicContact CE-CD1 4.18Å; M90-I92 HydrophobicContact CE-CG1 4.23Å; M90-I92 HydrophobicContact CG-CG1 4.28Å; M90-I92 PolarHBondContact O-N 2.69Å; I92-E94 HydrophobicContact CG2-CG 4.44Å; I92-E94 PolarHBondContact O-N 3.45Å
93G45Very low47.2Very low76 Ų76126.3 Ų126.378%0.78476%0.764SS**  trans-64.999176.100000108.9V91V91-G93 PolarHBondContact O-N 3.41Å
94E41.9Very low47.1Very low161 Ų161131.8 Ų131.875%0.75278%0.777SS**  trans-89131.1167-69.2168.7163.600107.6I92I92-E94 HydrophobicContact CG2-CG 4.44Å; I92-E94 PolarHBondContact O-N 3.45Å
95D39.1Very low46.7Very low151 Ų151135.3 Ų135.381%0.80778%0.775SS**  trans71.2108.5171.3-63.1-56000118
96V37.1Very low46Very low127 Ų127133.6 Ų133.677%0.7777%0.772SS**  -168.911494.9162.40000107.1
97C35.5Very low44.8Very low121 Ų121135.3 Ų135.382%0.81878%0.776SS**  trans-177.674.1133.9-88.40000107.5
98T39.5Very low43.6Very low107 Ų107138 Ų13866%0.65678%0.778SS**  trans26.4111.9137.5-41.80000116.5N100T98-N100 PolarHBondContact O-N 2.7Å
99E38.9Very low42.5Very low189 Ų189138.7 Ų138.788%0.88377%0.773SS**  trans-44.2106.3152.462.6-165.3123.100110.1
100N38Very low41.7Very low145 Ų145135.4 Ų135.478%0.77578%0.782SS**  trans-140.3114.9155.3-106.7-64.5000108.5T98T98-N100 PolarHBondContact O-N 2.7Å
101A33.8Very low40.3Very low99 Ų99131.1 Ų131.182%0.81878%0.778SS**  trans-50.6141.1175.900000112
102G31.9Very low39.1Very low74 Ų74131.3 Ų131.376%0.76379%0.785SS**  trans93129150.300000116.1
103A38.9Very low38.2Very low88 Ų88128.5 Ų128.573%0.72778%0.784SS**  trans98.9120.1155.900000117.4
104Q37.4Very low38.3Very low161 Ų161130.8 Ų130.875%0.75279%0.786SS**  trans87.481.8148.4-64.2176.38700117F106Q104-F106 WeakPolarHBondContact O-CD2 3.27Å; Q104-F106 PolarHBondContact O-N 2.64Å
105L37.9Very low38.4Very low162 Ų162129.2 Ų129.285%0.84879%0.787SS**  6.183.2117.8-139161.6000113E107L105-E107 PolarHBondContact O-N 3.01Å
106F37Very low38.8Very low179 Ų179129.7 Ų129.779%0.78579%0.788SS**  trans-74.1105.5170.2-86.5-91.6000107.7Q104 H108Q104-F106 WeakPolarHBondContact O-CD2 3.27Å; Q104-F106 PolarHBondContact O-N 2.64Å; F106-H108 PolarHBondContact O-N 2.99Å; F106-H108 VanDerWaalsContact O-N 3.15Å
107E35.4Very low39.3Very low175 Ų175128.7 Ų128.782%0.81879%0.787SS**  trans-58.3113.7163.3-72.2-140.412900108.6L105 P109L105-E107 PolarHBondContact O-N 3.01Å; E107-P109 WeakPolarHBondContact O-CD 3.48Å
108H41.1Very low40.1Very low173 Ų173132 Ų13280%0.80179%0.791SS**  trans-67.6118.8172.2-72.2-94.4000108.2F106 S110F106-H108 PolarHBondContact O-N 2.99Å; F106-H108 VanDerWaalsContact O-N 3.15Å; H108-S110 PolarHBondContact O-N 3.38Å; H108-S110 VanDerWaalsContact O-N 3.16Å
109P43.3Very low40.8Very low120 Ų120133 Ų13378%0.77979%0.788SS**  trans-66121.8178.326.5-31.2000108.6E107 G111E107-P109 WeakPolarHBondContact O-CD 3.48Å; P109-G111 PolarHBondContact O-N 3.32Å
110S40.6Very low41.7Very low136 Ų136134.6 Ų134.695%0.95179%0.786SS**  trans-54.2101.6162.5-78.10000108.6H108H108-S110 PolarHBondContact O-N 3.38Å; H108-S110 VanDerWaalsContact O-N 3.16Å
111G32.4Very low42.7Very low68 Ų68133.4 Ų133.470%0.70179%0.786SS**  trans-151.695.8-175.300000110P109 G113P109-G111 PolarHBondContact O-N 3.32Å; G111-G113 PolarHBondContact O-N 3.24Å
112S38.3Very low44Very low131 Ų131137.4 Ų137.492%0.91678%0.78SS**  trans-48.5120.4177.253.30000114
113G39.6Very low45.3Very low55 Ų55145.2 Ų145.257%0.56779%0.786SS**  trans-167.5112.1161.100000109.8G111 V115G111-G113 PolarHBondContact O-N 3.24Å; G113-V115 PolarHBondContact O-N 2.63Å
114P46.3Very low46.3Very low125 Ų125145.4 Ų145.481%0.81279%0.787SS**  trans-66.9100.2173.627.2-30.4000107.6L116P114-L116 VanDerWaalsContact C-N 3.33Å; P114-L116 PolarHBondContact O-N 3.11Å
115V45.2Very low47.2Very low128 Ų128144.2 Ų144.278%0.77679%0.791SS**  trans-57.5106.2163.3169.60000105.3G113 S117G113-V115 PolarHBondContact O-N 2.63Å; V115-S117 VanDerWaalsContact C-N 3.26Å; V115-S117 PolarHBondContact O-N 3.04Å; V115-S117 PolarHBondContact O-OG 2.78Å
116L47.6Very low47.9Very low160 Ų160146.3 Ų146.384%0.83879%0.788SS**  trans-48.498172.3-67.7171.8000106.6P114 E118P114-L116 VanDerWaalsContact C-N 3.33Å; P114-L116 PolarHBondContact O-N 3.11Å; L116-E118 PolarHBondContact O-N 2.98Å
117S46.2Very low48.7Very low106 Ų106142.5 Ų142.574%0.74178%0.781SS**  trans-63.3112.4-177.7-65.50000105.8V115 E119V115-S117 VanDerWaalsContact C-N 3.26Å; V115-S117 PolarHBondContact O-N 3.04Å; V115-S117 PolarHBondContact O-OG 2.78Å; S117-E119 PolarHBondContact O-N 3.37Å
118E52.5Low49.8Very low192 Ų192139.9 Ų139.990%0.89778%0.78SS**  trans-42.3114.2175.4-74.8-175.4108.100108.3L116 R120L116-E118 PolarHBondContact O-N 2.98Å; E118-R120 PolarHBondContact O-N 2.77Å
119E53.8Low50.3Low128 Ų128134.6 Ų134.660%0.59876%0.761SS**  trans-64.1101.6-168.5178148-146.700108.6S117 R122S117-E119 PolarHBondContact O-N 3.37Å; E119-R122 HydrophobicContact CG-CG 4.35Å; E119-R122 IonicContact OE1-CZ 3.88Å; E119-R122 IonicContact OE1-NE 2.63Å; E119-R122 PolarHBondContact OE1-NE 2.73Å; E119-R122 IonicContact OE1-NH2 3.98Å; E119-R122 PolarHBondContact OE1-NH2 3.44Å; E119-R122 IonicContact OE2-CZ 3.05Å; E119-R122 IonicContact OE2-NE 2.66Å; E119-R122 IonicContact OE2-NH2 2.65Å; E119-R122 PolarHBondContact OE2-NH2 3.39Å
120R57.7Low50.7Low222 Ų222140.6 Ų140.684%0.83877%0.768SS**  trans-43.4127.4177-175.6-178.3-171.7122.51.8107.8E118 R122E118-R120 PolarHBondContact O-N 2.77Å; R120-R122 PolarHBondContact O-N 2.83Å
121P59.4Low51.4Low119 Ų119139 Ų13977%0.77375%0.745SS**  trans-45.2108.6-172.3-30.433000110.4R123P121-R123 PolarHBondContact O-N 2.94Å
122R60.8Low52.9Low184 Ų184137.7 Ų137.769%0.69473%0.727SS**  trans-55.2114.7179.8-70.3-172.7-177-179.27.1105.5E119 R120 A124E119-R122 HydrophobicContact CG-CG 4.35Å; E119-R122 IonicContact OE1-CZ 3.88Å; E119-R122 IonicContact OE1-NE 2.63Å; E119-R122 PolarHBondContact OE1-NE 2.73Å; E119-R122 IonicContact OE1-NH2 3.98Å; E119-R122 PolarHBondContact OE1-NH2 3.44Å; E119-R122 IonicContact OE2-CZ 3.05Å; E119-R122 IonicContact OE2-NE 2.66Å; E119-R122 IonicContact OE2-NH2 2.65Å; E119-R122 PolarHBondContact OE2-NH2 3.39Å; R120-R122 PolarHBondContact O-N 2.83Å; R122-A124 PolarHBondContact O-N 3.48Å
123R60.5Low54.6Low238 Ų238133.8 Ų133.890%0.89870%0.696SS**  trans-48119.3172.7-81.7-177.8176.6177.30105.7P121 T125P121-R123 PolarHBondContact O-N 2.94Å; R123-T125 PolarHBondContact O-N 3.32Å
124A59.1Low55.8Low91 Ų91132.2 Ų132.275%0.75267%0.673SS**  trans-41.7120.9-174.900000108.2R122 R126R122-A124 PolarHBondContact O-N 3.48Å; A124-R126 PolarHBondContact O-N 3.35Å
125T56.7Low57Low136 Ų136128.9 Ų128.983%0.83465%0.648SS**  trans-68.947.8-177.6-24.80000109.8R123 P127R123-T125 PolarHBondContact O-N 3.32Å; T125-P127 WeakPolarHBondContact O-CD 3.17Å
126R52.3Low58.2Low206 Ų206124 Ų12478%0.77762%0.617SS**  trans-69.6120.2177.4-161.2179.8-171.9-171.53.7105A124A124-R126 PolarHBondContact O-N 3.35Å
127P55.1Low59.1Low99 Ų99120.3 Ų120.364%0.64360%0.595SS**  trans-54.4146.2178.321-31.2000108.7T125 C129T125-P127 WeakPolarHBondContact O-CD 3.17Å; P127-C129 PolarHBondContact O-N 3.27Å
128P56.8Low59.9Low121 Ų121119.6 Ų119.679%0.78659%0.586SS**  trans-50.8109.7-178.619-30.4000107.9R130P128-R130 PolarHBondContact O-N 2.94Å
129C53.2Low60.1Low61 Ų61118.6 Ų118.641%0.41258%0.582SS.*  trans-65116.7176.756.10000105P127 F131P127-C129 PolarHBondContact O-N 3.27Å; C129-F131 VanDerWaalsContact C-N 3.33Å; C129-F131 WeakPolarHBondContact O-CD2 3.42Å; C129-F131 PolarHBondContact O-N 3.02Å; C129-F131 WeakPolarHBondContact SG-CE1 3.32Å
130R51.5Low60Low246 Ų246123.3 Ų123.393%0.92859%0.594SS**  trans-49.7105.5171.6-72.2-177.1174.2-178.3-1.9106.5P128 A132P128-R130 PolarHBondContact O-N 2.94Å; R130-A132 PolarHBondContact O-N 2.82Å
131F54.9Low59.6Low104 Ų104121 Ų12146%0.45659%0.593SS.*  trans-65.6135.4-175.8-68-75.2000107.1C129 D133C129-F131 VanDerWaalsContact C-N 3.33Å; C129-F131 WeakPolarHBondContact O-CD2 3.42Å; C129-F131 PolarHBondContact O-N 3.02Å; C129-F131 WeakPolarHBondContact SG-CE1 3.32Å; F131-D133 PolarHBondContact O-N 2.95Å
132A63.4Low59.1Low39 Ų39126.1 Ų126.132%0.32260%0.596SS.*  trans-74.7109.3174.700000107.9R130 Y134R130-A132 PolarHBondContact O-N 2.82Å; A132-Y134 WeakPolarHBondContact O-CE2 3.5Å
133D73.5Confident58.4Low50 Ų50128.1 Ų128.127%0.26760%0.604SS.*  trans-89.4149.7-179.8-53.5-38.2000111.6R37 K39 F131R37-D133 CarbonylContact O-C 3.54Å; R37-D133 WeakPolarHBondContact O-CA 3.33Å; K39-D133 HydrophobicContact CD-CB 3.57Å; K39-D133 WeakPolarHBondContact CE-OD2 3.33Å; K39-D133 HydrophobicContact CG-CB 3.85Å; K39-D133 IonicContact NZ-OD2 3.37Å; K39-D133 PolarHBondContact NZ-OD2 3.39Å; F131-D133 PolarHBondContact O-N 2.95Å
134Y66.7Low57.7Low22 Ų22124 Ų1249%0.08659%0.594CS.*EExtended strand (participates in β ladder)trans-111.3124-176.5-66.7-92.4000110.3Y8 I21 H31 V33 R37 K39 A132 I136Y8-Y134 HydrophobicContact CD1-CD1 4.21Å; Y8-Y134 AromaticContact CD2-CD1 3.79Å; Y8-Y134 HydrophobicContact CD2-CD1 3.79Å; Y8-Y134 HydrophobicContact CE1-CD1 4.09Å; Y8-Y134 HydrophobicContact CE1-CE1 4.19Å; Y8-Y134 AromaticContact CE2-CD1 3.66Å; Y8-Y134 HydrophobicContact CE2-CD1 3.66Å; Y8-Y134 HydrophobicContact CE2-CE1 4.24Å; Y8-Y134 HydrophobicContact CG-CD1 4.07Å; Y8-Y134 AromaticContact CZ-CD1 3.81Å; Y8-Y134 AromaticContact CZ-CE1 3.96Å; I21-Y134 HydrophobicContact CD1-CD1 3.09Å; I21-Y134 HydrophobicContact CD1-CD2 3.96Å; I21-Y134 HydrophobicContact CD1-CE1 3.56Å; I21-Y134 HydrophobicContact CD1-CE2 4.37Å; I21-Y134 HydrophobicContact CD1-CG 3.28Å; H31-Y134 HydrophobicContact CB-CE1 4.41Å; H31-Y134 AromaticContact CD2-CE1 3.73Å; V33-Y134 HydrophobicContact CB-CD2 4.16Å; V33-Y134 HydrophobicContact CB-CE2 4.16Å; V33-Y134 HydrophobicContact CG1-CD2 3.58Å; V33-Y134 HydrophobicContact CG1-CE1 4.33Å; V33-Y134 HydrophobicContact CG1-CE2 3.23Å; V33-Y134 HydrophobicContact CG1-CG 4.26Å; V33-Y134 HydrophobicContact CG2-CD2 4.46Å; R37-Y134 HydrophobicContact CB-CD2 4.23Å; R37-Y134 PolarHBondContact O-N 2.83Å; K39-Y134 PolarHBondContact N-O 2.67Å; A132-Y134 WeakPolarHBondContact O-CE2 3.5Å; Y134-I136 PolarHBondContact O-N 2.95Å
135I70.5Confident57.2Low55 Ų55127.6 Ų127.628%0.28260%0.596SS.*EExtended strand (participates in β ladder)trans-83113.4177.4-51.8-176.1000108.5L7 Y8 K39 C41L7-I135 WeakPolarHBondContact CA-O 3.4Å; L7-I135 HydrophobicContact CD2-CB 4.27Å; L7-I135 HydrophobicContact CD2-CG2 3.82Å; Y8-I135 PolarHBondContact N-O 3.11Å; K39-I135 HydrophobicContact CB-CG1 4.47Å; K39-I135 CarbonylContact O-C 3.41Å; K39-I135 VanDerWaalsContact O-CA 3.27Å; K39-I135 WeakPolarHBondContact O-CA 3.49Å; C41-I135 VanDerWaalsContact CA-CG2 3.44Å; C41-I135 HydrophobicContact CB-CG2 4.06Å; C41-I135 WeakPolarHBondContact SG-CG2 3.36Å
136I69.7Low56.9Low25 Ų25128.2 Ų128.213%0.12859%0.594CS.*EExtended strand (participates in β ladder)trans-104132.2-176.448.9158.2000113Y8 I10 I21 L38 K39 C41 Y134 T138Y8-I136 CarbonylContact O-C 3.51Å; Y8-I136 VanDerWaalsContact O-CA 3.23Å; Y8-I136 WeakPolarHBondContact O-CA 2.96Å; I10-I136 HydrophobicContact CD1-CD1 3.92Å; I10-I136 HydrophobicContact CG1-CD1 4.38Å; I10-I136 HydrophobicContact CG1-CG2 4.29Å; I21-I136 HydrophobicContact CG2-CG2 4.13Å; L38-I136 HydrophobicContact CB-CD1 4.08Å; L38-I136 HydrophobicContact CB-CG1 4.32Å; L38-I136 HydrophobicContact CD1-CD1 4.14Å; L38-I136 HydrophobicContact CD2-CG2 3.7Å; K39-I136 VanDerWaalsContact O-CG1 3.32Å; K39-I136 WeakPolarHBondContact O-CG1 3.38Å; K39-I136 PolarHBondContact O-N 3.02Å; C41-I136 WeakPolarHBondContact CB-O 3.42Å; C41-I136 PolarHBondContact N-O 2.94Å; C41-I136 PolarHBondContact SG-O 3.15Å; Y134-I136 PolarHBondContact O-N 2.95Å; I136-T138 PolarHBondContact O-N 2.83Å
137E67.8Low56.8Low82 Ų82124.5 Ų124.538%0.38359%0.587SS.*  trans-64.3131.7171.4-179.1-177.7-168.500108.8Y8 C41 L47 Q139Y8-E137 PolarHBondContact O-N 2.83Å; C41-E137 VanDerWaalsContact SG-CA 3.53Å; C41-E137 PolarHBondContact SG-N 2.94Å; L47-E137 HydrophobicContact CD1-CB 3.92Å; L47-E137 HydrophobicContact CD1-CG 3.44Å; L47-E137 VanDerWaalsContact CD1-CG 3.44Å; L47-E137 WeakPolarHBondContact CD1-OE1 3.39Å; L47-E137 VanDerWaalsContact CD1-OE2 3.31Å; L47-E137 WeakPolarHBondContact CD1-OE2 3.15Å; E137-Q139 PolarHBondContact O-N 3.16Å; E137-Q139 VanDerWaalsContact O-N 3.1Å
138T61.4Low56.8Low91 Ų91125.5 Ų125.556%0.55859%0.592SS**  trans-68.2110.9171.247.20000107.8T40 I136 R140T40-T138 HydrophobicContact CG2-CG2 3.98Å; I136-T138 PolarHBondContact O-N 2.83Å; T138-R140 VanDerWaalsContact C-N 3.31Å; T138-R140 PolarHBondContact O-N 3.15Å
139Q57.2Low56.7Low171 Ų171127.7 Ų127.780%0.79959%0.589SS**  trans-64.298.9169.5-173174.924.700106.7E137 H141E137-Q139 PolarHBondContact O-N 3.16Å; E137-Q139 VanDerWaalsContact O-N 3.1Å; Q139-H141 PolarHBondContact O-N 3.18Å
140R51.3Low57Low228 Ų228130.4 Ų130.486%0.8661%0.606SS**  trans-57111.7172.9-71.6-173.1118.8-176.70.8106.7T138 R142T138-R140 VanDerWaalsContact C-N 3.31Å; T138-R140 PolarHBondContact O-N 3.15Å; R140-R142 PolarHBondContact O-N 2.66Å
141H50.1Low57.1Low174 Ų174130.7 Ų130.781%0.80661%0.607SS**  trans-54.6113.4172.4-151.1-85.3000105.6Q139 R143Q139-H141 PolarHBondContact O-N 3.18Å; H141-R143 VanDerWaalsContact C-N 3.26Å; H141-R143 PolarHBondContact O-N 3.37Å
142R48.6Very low57.2Low225 Ų225135.9 Ų135.985%0.84963%0.629SS**  trans-59.7103.6165.8-82.2-174.6173.3169.2-3.4104.3R140 H144R140-R142 PolarHBondContact O-N 2.66Å; R142-H144 VanDerWaalsContact C-N 3.31Å; R142-H144 PolarHBondContact O-N 2.95Å
143R47Very low57.4Low226 Ų226141 Ų14185%0.85369%0.686SS**  trans-58.6108.7162.1-72.7-174.6171.8-173.2-3.6103.7H141 E145H141-R143 VanDerWaalsContact C-N 3.26Å; H141-R143 PolarHBondContact O-N 3.37Å; R143-E145 PolarHBondContact O-N 2.98Å
144H45.4Very low56.5Low151 Ų151145.6 Ų145.670%0.69971%0.707SS**  trans-62.298.3168.4-172.2-177.8000103.5R142 D146R142-H144 VanDerWaalsContact C-N 3.31Å; R142-H144 PolarHBondContact O-N 2.95Å; H144-D146 PolarHBondContact O-N 2.75Å
145E47.5Very low56Low168 Ų168152.1 Ų152.179%0.78574%0.74SS**  trans-53.1129.5176.8-70.6-175140.800107.3R143 M147R143-E145 PolarHBondContact O-N 2.98Å; E145-M147 PolarHBondContact O-N 2.65Å
146D50.9Low55.2Low148 Ų148157.5 Ų157.579%0.79177%0.765SS**  trans-46.598.8178.1-71.9-60.5000109.4H144 T148H144-D146 PolarHBondContact O-N 2.75Å; D146-T148 PolarHBondContact O-N 3.42Å
147M49.6Very low54.4Low128 Ų128165.3 Ų165.363%0.63180%0.803SS**  trans-68.179.4161-65.4-164.5-158.200106.1E145 F149E145-M147 PolarHBondContact O-N 2.65Å; M147-F149 HydrophobicContact CB-CD2 4.47Å; M147-F149 HydrophobicContact CB-CE2 3.98Å; M147-F149 HydrophobicContact CB-CZ 4.23Å; M147-F149 WeakPolarHBondContact O-CD2 3.4Å; M147-F149 PolarHBondContact O-N 2.89Å
148T56.4Low53.5Low121 Ų121170.5 Ų170.574%0.74283%0.829SS**  trans-64.693.1168.2-58.10000106D146 P150D146-T148 PolarHBondContact O-N 3.42Å; T148-P150 WeakPolarHBondContact O-CD 3.37Å
149F55Low53Low166 Ų166175.8 Ų175.873%0.72885%0.847SS**  trans-65.3121.7173.3-68.6-85.9000108.1M147 R151M147-F149 HydrophobicContact CB-CD2 4.47Å; M147-F149 HydrophobicContact CB-CE2 3.98Å; M147-F149 HydrophobicContact CB-CZ 4.23Å; M147-F149 WeakPolarHBondContact O-CD2 3.4Å; M147-F149 PolarHBondContact O-N 2.89Å; F149-R151 PolarHBondContact O-N 2.93Å; F149-R151 VanDerWaalsContact O-N 3.11Å
150P58.7Low52.7Low118 Ų118176.1 Ų176.177%0.76685%0.85SS**  trans-64.7118173.625.1-30.4000108.6T148 K152T148-P150 WeakPolarHBondContact O-CD 3.37Å; P150-K152 PolarHBondContact O-N 2.9Å
151R54.4Low52.8Low253 Ų253172.2 Ų172.296%0.95585%0.85SS**  trans-59.3108.3168.2-102.1-179.4160.8-162.8-4.7107.9F149 G153F149-R151 PolarHBondContact O-N 2.93Å; F149-R151 VanDerWaalsContact O-N 3.11Å; R151-G153 PolarHBondContact O-N 3.4Å
152K55.5Low53Low213 Ų213172 Ų17293%0.92685%0.853SS**  trans-67.4113.8162.1-89.5-177.7169.1-175.80107.8P150P150-K152 PolarHBondContact O-N 2.9Å
153G67.4Low53.4Low147 Ų147167.2 Ų167.2100%1.51585%0.854SS**  trans-84.40156.600000110.4R151R151-G153 PolarHBondContact O-N 3.4Å

Retrieved 153 of 153 residues in 69.3 ms (Link to these results)

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