A0A087YR29_POEFO Loading...

Serine/arginine-rich splicing factor 2

AlphaFold DB , UniProt , Accession A0A087YR29, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 238 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M37.7Very low53.2Low220 Ų220127.5 Ų127.5100%1.08468%0.677SS**  0104.70-74.515517300107.9Y3M1-Y3 HydrophobicContact CB-CD2 4.39Å; M1-Y3 HydrophobicContact CB-CE2 4.09Å; M1-Y3 PolarHBondContact O-N 3.37Å
2S39.9Very low54.9Low108 Ų108122.8 Ų122.876%0.75568%0.68SS**  trans-75.3100.7-170.9-1740000110.9
3Y45.7Very low57Low184 Ų184115.7 Ų115.772%0.72264%0.64SS**  trans-118.542.2168.5-65-75.3000110.3M1M1-Y3 HydrophobicContact CB-CD2 4.39Å; M1-Y3 HydrophobicContact CB-CE2 4.09Å; M1-Y3 PolarHBondContact O-N 3.37Å
4G49.4Very low59.2Low65 Ų65108.9 Ų108.967%0.6760%0.603SS**  trans-141.517.7-169.600000115.3
5R54.3Low61.1Low227 Ų227102.5 Ų102.586%0.85757%0.569SS**PPolyproline II helixtrans-72.7129.7168.5-99.6-174177-121.1-0.1108.4
6P53.3Low62.8Low104 Ų10496.2 Ų96.268%0.67553%0.534SS*.PPolyproline II helixtrans-53.3139.6167.524.5-32.1000107.6
7P57Low64.5Low74 Ų7493.9 Ų93.948%0.48152%0.517SS..PPolyproline II helixtrans-54.8132.5176.323.7-31000107.5V10P7-V10 HydrophobicContact CB-CG2 3.98Å; P7-V10 HydrophobicContact CG-CG2 4.49Å
8P60.9Low65.9Low51 Ų5188.7 Ų88.733%0.33149%0.488SS..PPolyproline II helixtrans-53.7154.1168.725-32.4000108.5V10 M13 D42P8-V10 HydrophobicContact CG-CG1 4.32Å; P8-V10 WeakPolarHBondContact O-CA 3.46Å; P8-V10 VanDerWaalsContact O-CB 3.25Å; P8-V10 WeakPolarHBondContact O-CB 3.02Å; P8-V10 WeakPolarHBondContact O-CG1 3.36Å; P8-V10 VanDerWaalsContact O-CG2 3.28Å; P8-V10 WeakPolarHBondContact O-CG2 3.32Å; P8-V10 PolarHBondContact O-N 3.22Å; P8-M13 HydrophobicContact CB-CE 4.19Å; P8-D42 HydrophobicContact CG-CB 4.12Å
9D59.7Low67.1Low144 Ų14485.7 Ų85.777%0.7747%0.472SS*.SBendtrans-51.1100.7-177.7-76.6-83.3000112.1M13D9-M13 WeakPolarHBondContact O-CE 3.47Å
10V62.9Low68.1Low30 Ų3085.1 Ų85.118%0.18247%0.468CS..  trans-107.82.4-161.1-91.50000113.5P7 P8 G12 M13 R61P7-V10 HydrophobicContact CB-CG2 3.98Å; P7-V10 HydrophobicContact CG-CG2 4.49Å; P8-V10 HydrophobicContact CG-CG1 4.32Å; P8-V10 WeakPolarHBondContact O-CA 3.46Å; P8-V10 VanDerWaalsContact O-CB 3.25Å; P8-V10 WeakPolarHBondContact O-CB 3.02Å; P8-V10 WeakPolarHBondContact O-CG1 3.36Å; P8-V10 VanDerWaalsContact O-CG2 3.28Å; P8-V10 WeakPolarHBondContact O-CG2 3.32Å; P8-V10 PolarHBondContact O-N 3.22Å; V10-G12 PolarHBondContact O-N 3.49Å; V10-M13 HydrophobicContact CB-SD 4.42Å; V10-M13 HydrophobicContact CG1-SD 3.61Å; V10-M13 PolarHBondContact O-N 3.49Å; V10-R61 PolarHBondContact O-NH2 3.1Å
11E64.8Low69Low196 Ų19681.2 Ų81.292%0.91645%0.446SS*.THydrogen-bonded Turntrans-71.1-19.7-178.8-66.7-172.596.400112.7
12G73.1Confident71.1Confident70 Ų7071.7 Ų71.772%0.72240%0.401SS*.THydrogen-bonded Turntrans-108.5-1.1175.300000115.5V10V10-G12 PolarHBondContact O-N 3.49Å
13M82.8Confident73Confident31 Ų3172.5 Ų72.515%0.15339%0.388CS..  trans-89.6137.5-170.7-68.3177.8-174.700112.6P8 D9 V10 F62 L63P8-M13 HydrophobicContact CB-CE 4.19Å; D9-M13 WeakPolarHBondContact O-CE 3.47Å; V10-M13 HydrophobicContact CB-SD 4.42Å; V10-M13 HydrophobicContact CG1-SD 3.61Å; V10-M13 PolarHBondContact O-N 3.49Å; M13-F62 CarbonylContact C-O 3.59Å; M13-F62 WeakPolarHBondContact CA-O 3.49Å; M13-F62 VanDerWaalsContact CB-O 3.29Å; M13-F62 WeakPolarHBondContact CB-O 3.42Å; M13-L63 HydrophobicContact CE-CD2 3.78Å
14T86.8Confident74.6Confident21 Ų2174.4 Ų74.413%0.12939%0.394CS..EExtended strand (participates in β ladder)trans-81.7124.4175.1-60.60000109.8R61 F62 K65 A68 M89T14-R61 CarbonylContact O-C 3.59Å; T14-R61 WeakPolarHBondContact O-CA 3.45Å; T14-F62 PolarHBondContact N-O 2.98Å; T14-F62 PolarHBondContact O-N 3.19Å; T14-K65 HydrophobicContact CG2-CG 4.38Å; T14-K65 VanDerWaalsContact OG1-CA 3.28Å; T14-K65 WeakPolarHBondContact OG1-CA 3.34Å; T14-K65 WeakPolarHBondContact OG1-CB 3.22Å; T14-A68 HydrophobicContact CG2-CB 3.44Å; T14-A68 VanDerWaalsContact CG2-CB 3.44Å; T14-M89 HydrophobicContact CG2-CE 3.48Å; T14-M89 VanDerWaalsContact CG2-CE 3.48Å
15S87.8Confident76.1Confident13 Ų1371.5 Ų71.59%0.09136%0.363CS..EExtended strand (participates in β ladder)trans-104.8129.5-177.1-550000109.8R61 A90S15-R61 PolarHBondContact OG-NE 3.45Å; S15-A90 WeakPolarHBondContact O-CA 3.37Å; S15-A90 VanDerWaalsContact O-CB 3.25Å; S15-A90 WeakPolarHBondContact O-CB 3.48Å; S15-A90 PolarHBondContact O-N 2.9Å
16L89.6Confident77.6Confident1 Ų162.1 Ų62.11%0.00533%0.332CS..EExtended strand (participates in β ladder)trans-106.4140.1172.1-60.2-175.5000109.7F59 V60 F62 A68 A71 M72 V87 Q88 M89L16-F59 CarbonylContact O-C 3.59Å; L16-F59 VanDerWaalsContact O-CA 3.29Å; L16-F59 WeakPolarHBondContact O-CA 3.37Å; L16-V60 PolarHBondContact N-O 2.75Å; L16-V60 PolarHBondContact O-N 3.39Å; L16-F62 HydrophobicContact CD1-CD2 3.92Å; L16-F62 HydrophobicContact CD1-CE2 3.58Å; L16-F62 HydrophobicContact CG-CD2 4.16Å; L16-F62 HydrophobicContact CG-CE2 4.26Å; L16-A68 HydrophobicContact CD1-CB 4.17Å; L16-A68 WeakPolarHBondContact CD1-O 3.06Å; L16-A68 HydrophobicContact CD2-CB 4.05Å; L16-A68 HydrophobicContact CG-CB 4.07Å; L16-A71 HydrophobicContact CD1-CB 4.16Å; L16-M72 HydrophobicContact CD1-CB 4.46Å; L16-M72 HydrophobicContact CD2-CB 4.38Å; L16-V87 HydrophobicContact CB-CG1 4.11Å; L16-V87 HydrophobicContact CD1-CG1 3.92Å; L16-V87 HydrophobicContact CG-CG1 4.47Å; L16-Q88 CarbonylContact C-O 3.57Å; L16-Q88 WeakPolarHBondContact CA-O 3.45Å; L16-M89 HydrophobicContact CD2-CG 4.47Å
17K90.5Very high79.2Confident57 Ų5759.2 Ų59.225%0.24831%0.314CS..EExtended strand (participates in β ladder)trans-102.8122.7171.5-178.6174.7178-104.70107.9D19 F59 V87 Q88 A90K17-D19 WeakPolarHBondContact CE-OD1 3.36Å; K17-D19 WeakPolarHBondContact CE-OD2 3.32Å; K17-D19 IonicContact NZ-OD1 2.71Å; K17-D19 PolarHBondContact NZ-OD1 3.29Å; K17-D19 IonicContact NZ-OD2 2.65Å; K17-D19 PolarHBondContact NZ-OD2 2.91Å; K17-F59 HydrophobicContact CB-CD1 4.04Å; K17-F59 HydrophobicContact CB-CE1 3.91Å; K17-F59 HydrophobicContact CD-CE1 3.88Å; K17-F59 HydrophobicContact CD-CZ 4.31Å; K17-F59 HydrophobicContact CG-CD1 4.22Å; K17-F59 HydrophobicContact CG-CE1 3.76Å; K17-F59 HydrophobicContact CG-CZ 4.39Å; K17-V87 CarbonylContact O-C 3.58Å; K17-V87 WeakPolarHBondContact O-CA 3.11Å; K17-Q88 PolarHBondContact N-O 3.15Å; K17-Q88 PolarHBondContact O-N 3.1Å; K17-A90 HydrophobicContact CB-CB 4.13Å
18V89.9Confident80.6Confident0 Ų062 Ų620%032%0.32CS..EExtended strand (participates in β ladder)trans-106.3116176.6-172.60000107.6L21 F34 F57 A58 V60 L85 R86 V87V18-L21 HydrophobicContact CB-CD1 4.2Å; V18-L21 HydrophobicContact CG1-CD1 4.01Å; V18-L21 HydrophobicContact CG1-CD2 3.87Å; V18-L21 HydrophobicContact CG1-CG 3.92Å; V18-F34 HydrophobicContact CG1-CZ 4.31Å; V18-F34 HydrophobicContact CG2-CE1 4.27Å; V18-F34 HydrophobicContact CG2-CE2 3.84Å; V18-F34 HydrophobicContact CG2-CZ 3.49Å; V18-F34 VanDerWaalsContact CG2-CZ 3.49Å; V18-F57 CarbonylContact O-C 3.57Å; V18-F57 WeakPolarHBondContact O-CA 3.28Å; V18-F57 VanDerWaalsContact O-CB 3.27Å; V18-F57 WeakPolarHBondContact O-CB 3.19Å; V18-A58 HydrophobicContact CB-CB 4.5Å; V18-A58 PolarHBondContact N-O 2.94Å; V18-A58 PolarHBondContact O-N 2.66Å; V18-V60 HydrophobicContact CG2-CG2 4.12Å; V18-L85 HydrophobicContact CG1-CD2 4.49Å; V18-R86 CarbonylContact C-O 3.58Å; V18-R86 WeakPolarHBondContact CA-O 3.24Å; V18-V87 HydrophobicContact CG1-CG2 4.32Å; V18-V87 HydrophobicContact CG2-CG1 4.42Å; V18-V87 HydrophobicContact CG2-CG2 4.33Å
19D89.4Confident81.9Confident32 Ų3262.3 Ų62.317%0.17132%0.321CS..EExtended strand (participates in β ladder)trans-104.8166.1177.5-73.1-78.7000111.4K17 L21 G56 R86K17-D19 WeakPolarHBondContact CE-OD1 3.36Å; K17-D19 WeakPolarHBondContact CE-OD2 3.32Å; K17-D19 IonicContact NZ-OD1 2.71Å; K17-D19 PolarHBondContact NZ-OD1 3.29Å; K17-D19 IonicContact NZ-OD2 2.65Å; K17-D19 PolarHBondContact NZ-OD2 2.91Å; D19-L21 VanDerWaalsContact C-N 3.31Å; D19-L21 PolarHBondContact O-N 3.11Å; D19-G56 CarbonylContact C-O 3.57Å; D19-R86 HydrophobicContact CB-CB 4.12Å; D19-R86 PolarHBondContact N-O 3.25Å; D19-R86 PolarHBondContact O-N 2.96Å; D19-R86 VanDerWaalsContact O-N 3.1Å
20N87.2Confident83.3Confident73 Ų7355.5 Ų55.539%0.3929%0.285SS..SBendtrans63.829.7179.1-159.434.6000115G56 E84N20-G56 PolarHBondContact N-O 2.98Å; N20-E84 WeakPolarHBondContact CB-O 3.42Å; N20-E84 PolarHBondContact ND2-O 2.79Å
21L85.8Confident84.5Confident4 Ų460.2 Ų60.22%0.02130%0.299CS..  trans-70.7147.1175.2-69.7168.4000111.9V18 D19 T25 L30 G56 A58 L80 L85V18-L21 HydrophobicContact CB-CD1 4.2Å; V18-L21 HydrophobicContact CG1-CD1 4.01Å; V18-L21 HydrophobicContact CG1-CD2 3.87Å; V18-L21 HydrophobicContact CG1-CG 3.92Å; D19-L21 VanDerWaalsContact C-N 3.31Å; D19-L21 PolarHBondContact O-N 3.11Å; L21-T25 HydrophobicContact CD2-CG2 4.22Å; L21-L30 HydrophobicContact CD1-CD1 3.86Å; L21-L30 HydrophobicContact CD1-CD2 4.32Å; L21-L30 HydrophobicContact CD2-CD2 3.7Å; L21-G56 PolarHBondContact N-O 3.3Å; L21-G56 WeakPolarHBondContact O-CA 3.23Å; L21-A58 HydrophobicContact CD1-CB 3.39Å; L21-L80 HydrophobicContact CD2-CD2 4.45Å; L21-L85 HydrophobicContact CD2-CD2 3.47Å; L21-L85 VanDerWaalsContact CD2-CD2 3.47Å; L21-L85 HydrophobicContact CG-CD2 4.26Å
22T82.7Confident85.7Confident21 Ų2159.7 Ų59.713%0.12929%0.289CS..  trans-71.8151168.7-175.10000110.5R24 T25 D81T22-R24 HydrophobicContact CG2-CB 4.13Å; T22-R24 PolarHBondContact O-N 3.17Å; T22-R24 VanDerWaalsContact O-N 3.13Å; T22-T25 WeakPolarHBondContact CG2-OG1 3.21Å; T22-T25 PolarHBondContact O-N 3Å; T22-T25 VanDerWaalsContact O-N 3.1Å; T22-T25 PolarHBondContact O-OG1 3.04Å; T22-D81 HydrophobicContact CG2-CB 3.38Å; T22-D81 WeakPolarHBondContact CG2-OD2 3.25Å
23Y79.4Confident86.4Confident124 Ų12457.9 Ų57.949%0.48626%0.264SS..THydrogen-bonded Turntrans-62.8-20.2177.9-58.6-83.8000112.8E53 S54Y23-E53 HydrophobicContact CD1-CB 4.27Å; Y23-E53 HydrophobicContact CE1-CB 4.27Å; Y23-S54 WeakPolarHBondContact CD1-O 3.38Å; Y23-S54 WeakPolarHBondContact CE1-O 3.45Å
24R79.3Confident86.7Confident224 Ų22456.4 Ų56.485%0.84526%0.257SS*.THydrogen-bonded Turntrans-81.2-15.3178-64-176.2175.5178.5-1.8113.7T22 S26T22-R24 HydrophobicContact CG2-CB 4.13Å; T22-R24 PolarHBondContact O-N 3.17Å; T22-R24 VanDerWaalsContact O-N 3.13Å; R24-S26 PolarHBondContact O-N 3.21Å
25T81.6Confident86.8Confident5 Ų560.1 Ų60.13%0.03127%0.272CS..  trans-70123.9-176.5-48.20000110.3L21 T22 L30 L80L21-T25 HydrophobicContact CD2-CG2 4.22Å; T22-T25 WeakPolarHBondContact CG2-OG1 3.21Å; T22-T25 PolarHBondContact O-N 3Å; T22-T25 VanDerWaalsContact O-N 3.1Å; T22-T25 PolarHBondContact O-OG1 3.04Å; T25-L30 HydrophobicContact CG2-CD1 4.4Å; T25-L30 HydrophobicContact CG2-CD2 3.86Å; T25-L30 HydrophobicContact CG2-CG 3.78Å; T25-L80 HydrophobicContact CG2-CD2 4.11Å
26S85.3Confident86.8Confident29 Ų2967.7 Ų67.720%0.20330%0.304CS..  trans-89.6155174.674.60000110.8R24 E28 T29 L30R24-S26 PolarHBondContact O-N 3.21Å; S26-E28 PolarHBondContact O-N 3.36Å; S26-T29 PolarHBondContact O-N 3.11Å; S26-T29 PolarHBondContact OG-N 3.03Å; S26-T29 PolarHBondContact OG-OG1 3.32Å; S26-T29 VanDerWaalsContact OG-OG1 3.04Å; S26-L30 PolarHBondContact O-N 3.26Å
27P86.1Confident86.7Confident44 Ų4471.1 Ų71.129%0.28632%0.317SS..Hα-helixtrans-61.2-27.6174.125.8-33.5000112L30 R31 V43 I45P27-L30 PolarHBondContact O-N 2.8Å; P27-R31 WeakPolarHBondContact O-CB 3.39Å; P27-R31 PolarHBondContact O-N 3.45Å; P27-V43 HydrophobicContact CB-CB 4.33Å; P27-V43 HydrophobicContact CB-CG1 3.76Å; P27-I45 HydrophobicContact CB-CD1 3.95Å; P27-I45 HydrophobicContact CB-CG1 4.12Å; P27-I45 HydrophobicContact CG-CD1 4.41Å
28E87.4Confident86.6Confident133 Ų13369.1 Ų69.162%0.62131%0.312SS*.Hα-helixtrans-68.1-41.4177.3-59.2164.6124.500111.5S26 R31 R32S26-E28 PolarHBondContact O-N 3.36Å; E28-R31 PolarHBondContact O-N 3.25Å; E28-R32 WeakPolarHBondContact O-CG 3.44Å; E28-R32 PolarHBondContact O-N 3.33Å
29T88Confident86.5Confident57 Ų5777.7 Ų77.735%0.3535%0.345SS..Hα-helixtrans-63.1-46.3174.6-58.40000110.7S26 R31 R32 V33S26-T29 PolarHBondContact O-N 3.11Å; S26-T29 PolarHBondContact OG-N 3.03Å; S26-T29 PolarHBondContact OG-OG1 3.32Å; S26-T29 VanDerWaalsContact OG-OG1 3.04Å; T29-R31 VanDerWaalsContact C-N 3.33Å; T29-R31 PolarHBondContact O-N 2.89Å; T29-R32 PolarHBondContact O-N 3.2Å; T29-V33 HydrophobicContact CG2-CG2 4.48Å; T29-V33 VanDerWaalsContact O-CG2 3.32Å; T29-V33 WeakPolarHBondContact O-CG2 3.49Å; T29-V33 PolarHBondContact O-N 3.41Å
30L88.4Confident86.5Confident0 Ų077 Ų770%034%0.341CS..Hα-helixtrans-58.6-48.1175.7-68174.3000110.7L21 T25 S26 P27 R32 V33 F34 V43 I45 A58L21-L30 HydrophobicContact CD1-CD1 3.86Å; L21-L30 HydrophobicContact CD1-CD2 4.32Å; L21-L30 HydrophobicContact CD2-CD2 3.7Å; T25-L30 HydrophobicContact CG2-CD1 4.4Å; T25-L30 HydrophobicContact CG2-CD2 3.86Å; T25-L30 HydrophobicContact CG2-CG 3.78Å; S26-L30 PolarHBondContact O-N 3.26Å; P27-L30 PolarHBondContact O-N 2.8Å; L30-R32 VanDerWaalsContact C-N 3.32Å; L30-R32 PolarHBondContact O-N 3.17Å; L30-V33 PolarHBondContact O-N 3.15Å; L30-V33 VanDerWaalsContact O-N 3.11Å; L30-F34 HydrophobicContact CB-CD2 4.24Å; L30-F34 HydrophobicContact CD2-CD2 4.33Å; L30-F34 HydrophobicContact CD2-CE2 3.9Å; L30-F34 WeakPolarHBondContact O-CB 3.39Å; L30-F34 VanDerWaalsContact O-CD2 3.23Å; L30-F34 WeakPolarHBondContact O-CD2 2.98Å; L30-F34 PolarHBondContact O-N 3.37Å; L30-V43 HydrophobicContact CB-CG1 4.25Å; L30-V43 HydrophobicContact CD1-CG1 4.34Å; L30-I45 HydrophobicContact CD1-CD1 3.81Å; L30-I45 HydrophobicContact CD1-CG1 4.26Å; L30-A58 HydrophobicContact CD1-CB 3.36Å
31R89.3Confident86.4Confident130 Ų13075 Ų7549%0.49134%0.339SS..Hα-helixtrans-53-50.7177.2-175.7178.1167.9-173.8-2.6111.3P27 E28 T29 V33 F34 E35 V40 V43P27-R31 WeakPolarHBondContact O-CB 3.39Å; P27-R31 PolarHBondContact O-N 3.45Å; E28-R31 PolarHBondContact O-N 3.25Å; T29-R31 VanDerWaalsContact C-N 3.33Å; T29-R31 PolarHBondContact O-N 2.89Å; R31-V33 VanDerWaalsContact C-N 3.31Å; R31-V33 PolarHBondContact O-N 3Å; R31-F34 PolarHBondContact O-N 2.86Å; R31-E35 WeakPolarHBondContact O-CB 3.45Å; R31-E35 PolarHBondContact O-N 3.48Å; R31-V40 HydrophobicContact CG-CB 4.5Å; R31-V40 HydrophobicContact CG-CG1 4.41Å; R31-V43 HydrophobicContact CB-CG2 4.07Å
32R88.7Confident86.4Confident185 Ų18577.2 Ų77.270%0.69835%0.35SS*.Hα-helixtrans-62.1-34.4179.6-71.7179.7-174.4173.72.8114E28 T29 L30E28-R32 WeakPolarHBondContact O-CG 3.44Å; E28-R32 PolarHBondContact O-N 3.33Å; T29-R32 PolarHBondContact O-N 3.2Å; L30-R32 VanDerWaalsContact C-N 3.32Å; L30-R32 PolarHBondContact O-N 3.17Å
33V88.4Confident86.7Confident32 Ų3277.5 Ų77.519%0.19435%0.352CS..Hα-helixtrans-74.3-46.1179.4173.20000110.5T29 L30 R31 M75 L80T29-V33 HydrophobicContact CG2-CG2 4.48Å; T29-V33 VanDerWaalsContact O-CG2 3.32Å; T29-V33 WeakPolarHBondContact O-CG2 3.49Å; T29-V33 PolarHBondContact O-N 3.41Å; L30-V33 PolarHBondContact O-N 3.15Å; L30-V33 VanDerWaalsContact O-N 3.11Å; R31-V33 VanDerWaalsContact C-N 3.31Å; R31-V33 PolarHBondContact O-N 3Å; V33-M75 HydrophobicContact CG1-CE 3.37Å; V33-M75 HydrophobicContact CG1-SD 3.76Å; V33-L80 HydrophobicContact CG2-CD1 4.38Å
34F88.5Confident86.9Confident0 Ų074.1 Ų74.10%034%0.339CS..Hα-helixtrans-76.6-25.7-177.8-79.5-80.1000113.1V18 L30 R31 K36 Y37 G38 V40 V60 F62 A71 M75 V87V18-F34 HydrophobicContact CG1-CZ 4.31Å; V18-F34 HydrophobicContact CG2-CE1 4.27Å; V18-F34 HydrophobicContact CG2-CE2 3.84Å; V18-F34 HydrophobicContact CG2-CZ 3.49Å; V18-F34 VanDerWaalsContact CG2-CZ 3.49Å; L30-F34 HydrophobicContact CB-CD2 4.24Å; L30-F34 HydrophobicContact CD2-CD2 4.33Å; L30-F34 HydrophobicContact CD2-CE2 3.9Å; L30-F34 WeakPolarHBondContact O-CB 3.39Å; L30-F34 VanDerWaalsContact O-CD2 3.23Å; L30-F34 WeakPolarHBondContact O-CD2 2.98Å; L30-F34 PolarHBondContact O-N 3.37Å; R31-F34 PolarHBondContact O-N 2.86Å; F34-K36 PolarHBondContact O-N 2.8Å; F34-Y37 PolarHBondContact O-N 2.73Å; F34-G38 PolarHBondContact O-N 3.35Å; F34-V40 HydrophobicContact CB-CG2 3.95Å; F34-V60 HydrophobicContact CB-CG1 4.11Å; F34-V60 HydrophobicContact CD2-CG2 4.07Å; F34-V60 HydrophobicContact CE2-CG2 4.35Å; F34-V60 HydrophobicContact CG-CG1 4.22Å; F34-V60 HydrophobicContact CG-CG2 4.34Å; F34-F62 HydrophobicContact CB-CE2 4.46Å; F34-F62 HydrophobicContact CB-CZ 3.82Å; F34-F62 HydrophobicContact CD1-CE2 4.08Å; F34-F62 AromaticContact CD1-CZ 3.89Å; F34-F62 HydrophobicContact CD1-CZ 3.89Å; F34-F62 HydrophobicContact CG-CZ 4.31Å; F34-A71 HydrophobicContact CD1-CB 4.14Å; F34-A71 HydrophobicContact CE1-CB 4.49Å; F34-M75 HydrophobicContact CE1-CB 4.07Å; F34-M75 HydrophobicContact CE1-CG 3.99Å; F34-M75 HydrophobicContact CZ-CB 4.18Å; F34-M75 HydrophobicContact CZ-CG 4.26Å; F34-V87 HydrophobicContact CE1-CG1 4.4Å; F34-V87 HydrophobicContact CE1-CG2 4.33Å; F34-V87 HydrophobicContact CZ-CG2 4.05Å
35E89Confident87.3Confident98 Ų9864.5 Ų64.546%0.45830%0.304SS..THydrogen-bonded Turntrans-65.5-16.9175.8-176.8166.6-147.900113.2R31 Y37 G38 V40R31-E35 WeakPolarHBondContact O-CB 3.45Å; R31-E35 PolarHBondContact O-N 3.48Å; E35-Y37 VanDerWaalsContact C-N 3.3Å; E35-Y37 PolarHBondContact O-N 3.38Å; E35-G38 WeakPolarHBondContact CA-O 3.15Å; E35-V40 HydrophobicContact CB-CG2 4.34Å
36K89Confident87.3Confident172 Ų17264.8 Ų64.875%0.74831%0.306SS*.THydrogen-bonded Turntrans-68.7-28.4174-64.5-176.7177.9-174.30113.5F34F34-K36 PolarHBondContact O-N 2.8Å
37Y87.8Confident87.2Confident74 Ų7469 Ų6929%0.2932%0.317SS..THydrogen-bonded Turntrans-95.8-23.5-176.6-57.7-78.3000112F34 E35 A71 A74 M75F34-Y37 PolarHBondContact O-N 2.73Å; E35-Y37 VanDerWaalsContact C-N 3.3Å; E35-Y37 PolarHBondContact O-N 3.38Å; Y37-A71 HydrophobicContact CD2-CB 4.15Å; Y37-A71 HydrophobicContact CG-CB 3.99Å; Y37-A74 HydrophobicContact CD1-CB 4.01Å; Y37-A74 HydrophobicContact CE1-CB 3.32Å; Y37-M75 HydrophobicContact CD2-CG 4.25Å; Y37-M75 HydrophobicContact CE2-CG 3.49Å; Y37-M75 VanDerWaalsContact CE2-CG 3.49Å; Y37-M75 HydrophobicContact CE2-SD 3.6Å; Y37-M75 VanDerWaalsContact CE2-SD 3.6Å; Y37-M75 PolarHBondContact OH-SD 2.83Å; Y37-M75 VanDerWaalsContact OH-SD 3.37Å
38G87.1Confident86.8Confident14 Ų1469.9 Ų69.914%0.14432%0.32CS..SBendtrans172.3-173.417500000114.2F34 E35 V40 D67F34-G38 PolarHBondContact O-N 3.35Å; E35-G38 WeakPolarHBondContact CA-O 3.15Å; G38-V40 PolarHBondContact O-N 2.8Å; G38-V40 VanDerWaalsContact O-N 3.17Å; G38-D67 VanDerWaalsContact CA-OD2 3.32Å; G38-D67 WeakPolarHBondContact CA-OD2 3.29Å
39R88.1Confident85.8Confident181 Ų18171 Ų7168%0.68332%0.318SS*.  trans-81106-169-159.5175.3172-145.73111.6L63 D67R39-L63 HydrophobicContact CB-CD1 3.86Å; R39-L63 HydrophobicContact CG-CD1 3.54Å; R39-L63 PolarHBondContact O-N 3.49Å; R39-L63 VanDerWaalsContact O-N 3.15Å; R39-D67 PolarHBondContact N-OD2 3.39Å
40V89.2Confident84.9Confident17 Ų1777.1 Ų77.110%0.10334%0.336CS..EExtended strand (participates in β ladder)trans-77.8121.3177.4-177.70000110.5R31 F34 E35 G38 V43 V60 R61 F62R31-V40 HydrophobicContact CG-CB 4.5Å; R31-V40 HydrophobicContact CG-CG1 4.41Å; F34-V40 HydrophobicContact CB-CG2 3.95Å; E35-V40 HydrophobicContact CB-CG2 4.34Å; G38-V40 PolarHBondContact O-N 2.8Å; G38-V40 VanDerWaalsContact O-N 3.17Å; V40-V43 HydrophobicContact CG1-CG2 3.61Å; V40-V60 HydrophobicContact CG1-CG1 3.76Å; V40-V60 HydrophobicContact CG2-CG1 4.18Å; V40-R61 CarbonylContact C-O 3.49Å; V40-F62 HydrophobicContact CG2-CD1 4.36Å; V40-F62 HydrophobicContact CG2-CE1 3.81Å; V40-F62 HydrophobicContact CG2-CZ 4Å
41G85.8Confident84.1Confident32 Ų3280.9 Ų80.933%0.3336%0.359SS..EExtended strand (participates in β ladder)trans-85.7-46.5176.700000113.6R61G41-R61 PolarHBondContact N-O 2.98Å
42D85.6Confident83.1Confident49 Ų4983.2 Ų83.226%0.26237%0.373SS..EExtended strand (participates in β ladder)trans-149147.3-177.1-175.3-119.2000111.9P8 R61P8-D42 HydrophobicContact CG-CB 4.12Å; D42-R61 HydrophobicContact CB-CB 4.24Å; D42-R61 HydrophobicContact CB-CG 4.26Å; D42-R61 PolarHBondContact N-O 2.89Å; D42-R61 PolarHBondContact O-N 2.79Å
43V87.9Confident82.1Confident28 Ų2879.5 Ų79.517%0.1736%0.363CS..EExtended strand (participates in β ladder)trans-131.1122.8174.6-1770000109.6P27 L30 R31 V40 F59 V60P27-V43 HydrophobicContact CB-CB 4.33Å; P27-V43 HydrophobicContact CB-CG1 3.76Å; L30-V43 HydrophobicContact CB-CG1 4.25Å; L30-V43 HydrophobicContact CD1-CG1 4.34Å; R31-V43 HydrophobicContact CB-CG2 4.07Å; V40-V43 HydrophobicContact CG1-CG2 3.61Å; V43-F59 CarbonylContact C-O 3.57Å; V43-F59 WeakPolarHBondContact CA-O 2.97Å; V43-V60 HydrophobicContact CG1-CG2 4.32Å; V43-V60 HydrophobicContact CG2-CG1 4.29Å; V43-V60 HydrophobicContact CG2-CG2 4.39Å
44Y85.3Confident81.4Confident52 Ų5278.4 Ų78.420%0.20436%0.357CS..EExtended strand (participates in β ladder)trans-126.2122.6-178179.1-121000111.4P46 A58 F59 R94Y44-P46 HydrophobicContact CD1-CG 3.96Å; Y44-P46 HydrophobicContact CE1-CB 4.32Å; Y44-P46 HydrophobicContact CE1-CG 3.54Å; Y44-P46 WeakPolarHBondContact O-CD 3.43Å; Y44-A58 CarbonylContact O-C 3.56Å; Y44-A58 WeakPolarHBondContact O-CA 3.29Å; Y44-F59 HydrophobicContact CD1-CD2 4.06Å; Y44-F59 PolarHBondContact N-O 3.28Å; Y44-F59 PolarHBondContact O-N 3.25Å; Y44-R94 HydrophobicContact CD1-CG 4.44Å; Y44-R94 HydrophobicContact CE1-CG 4.48Å
45I87.4Confident80.8Confident22 Ų2285.8 Ų85.811%0.11339%0.385CS..  trans-112.6105.6174.5-53.7-172000108.8P27 L30 R47 A58P27-I45 HydrophobicContact CB-CD1 3.95Å; P27-I45 HydrophobicContact CB-CG1 4.12Å; P27-I45 HydrophobicContact CG-CD1 4.41Å; L30-I45 HydrophobicContact CD1-CD1 3.81Å; L30-I45 HydrophobicContact CD1-CG1 4.26Å; I45-R47 HydrophobicContact CG2-CG 4.39Å; I45-R47 PolarHBondContact O-N 3.19Å; I45-A58 HydrophobicContact CD1-CB 4.35Å; I45-A58 HydrophobicContact CG1-CB 3.76Å
46P81.9Confident80.5Confident11 Ų1181.6 Ų81.67%0.07137%0.369CS..  trans-63.3118.7170.8-20.432.7000110.6Y44 R55 F57 F59Y44-P46 HydrophobicContact CD1-CG 3.96Å; Y44-P46 HydrophobicContact CE1-CB 4.32Å; Y44-P46 HydrophobicContact CE1-CG 3.54Å; Y44-P46 WeakPolarHBondContact O-CD 3.43Å; P46-R55 PolarHBondContact O-N 3.24Å; P46-F57 HydrophobicContact CB-CE2 4.1Å; P46-F57 HydrophobicContact CB-CZ 4.25Å; P46-F57 HydrophobicContact CG-CD2 4.21Å; P46-F57 HydrophobicContact CG-CE2 3.6Å; P46-F57 HydrophobicContact CG-CZ 4.24Å; P46-F59 HydrophobicContact CG-CD2 4.09Å; P46-F59 HydrophobicContact CG-CE2 3.88Å
47R81.8Confident80.5Confident117 Ų11774.9 Ų74.944%0.44234%0.339SS..BIsolated β-bridgetrans-107.2142.7172.4-61.9-177.2176.8179.3-1.9109.4I45I45-R47 HydrophobicContact CG2-CG 4.39Å; I45-R47 PolarHBondContact O-N 3.19Å
48D78.6Confident80.6Confident64 Ų6471.3 Ų71.334%0.34233%0.326SS..  trans-64.8135.9172.9-163.5-41.2000109.4Y50 T51 K52 E53D48-Y50 VanDerWaalsContact C-N 3.35Å; D48-Y50 PolarHBondContact OD1-N 2.98Å; D48-T51 WeakPolarHBondContact CB-OG1 3.21Å; D48-K52 WeakPolarHBondContact O-CA 3.41Å; D48-K52 PolarHBondContact O-N 3.31Å; D48-K52 VanDerWaalsContact O-N 3.09Å; D48-E53 PolarHBondContact N-O 3.29Å
49R65.9Low80.7Confident155 Ų15572.9 Ų72.959%0.58533%0.328SS*.THydrogen-bonded Turntrans-77.1-22.5-179-70.3-178.765.7167.25.2113Y100R49-Y100 PolarHBondContact NH1-O 3.37Å
50Y68.9Low80.8Confident186 Ų18664.3 Ų64.373%0.72930%0.296SS*.THydrogen-bonded Turntrans-93.9-49.7-175.9-60.5-81.5000111.5D48 R103D48-Y50 VanDerWaalsContact C-N 3.35Å; D48-Y50 PolarHBondContact OD1-N 2.98Å; Y50-R103 PolarHBondContact OH-NH1 3.06Å
51T72.4Confident80.7Confident80 Ų8064.5 Ų64.549%0.49130%0.295SS..THydrogen-bonded Turntrans-88-11.917963.30000113D48 E53D48-T51 WeakPolarHBondContact CB-OG1 3.21Å; T51-E53 PolarHBondContact O-N 3.13Å; T51-E53 PolarHBondContact OG1-N 3.1Å
52K67.7Low80.9Confident178 Ų17863 Ų6377%0.77428%0.279SS*.  trans56.78.4-170.2-67.1-174.8-179.7177.90114.2D48D48-K52 WeakPolarHBondContact O-CA 3.41Å; D48-K52 PolarHBondContact O-N 3.31Å; D48-K52 VanDerWaalsContact O-N 3.09Å
53E68Low81Confident107 Ų10763.6 Ų63.650%0.528%0.282SS..  trans-78.2137.1179.7-66.4-178.4120.300110.1Y23 D48 T51 R55Y23-E53 HydrophobicContact CD1-CB 4.27Å; Y23-E53 HydrophobicContact CE1-CB 4.27Å; D48-E53 PolarHBondContact N-O 3.29Å; T51-E53 PolarHBondContact O-N 3.13Å; T51-E53 PolarHBondContact OG1-N 3.1Å; E53-R55 PolarHBondContact O-N 2.98Å
54S73.4Confident81Confident9 Ų966.4 Ų66.46%0.06330%0.296CS..BIsolated β-bridgetrans-60.9133.6170.5-59.50000108.7Y23 G56Y23-S54 WeakPolarHBondContact CD1-O 3.38Å; Y23-S54 WeakPolarHBondContact CE1-O 3.45Å; S54-G56 PolarHBondContact O-N 3Å
55R75.3Confident81.2Confident155 Ų15569 Ų6959%0.58531%0.308SS*.  trans-71.810.1-178.8-63-173.767.9-173.2-1.6114.2P46 E53 F57P46-R55 PolarHBondContact O-N 3.24Å; E53-R55 PolarHBondContact O-N 2.98Å; R55-F57 HydrophobicContact CB-CD1 3.55Å; R55-F57 HydrophobicContact CB-CE1 3.17Å; R55-F57 HydrophobicContact CB-CZ 3.92Å; R55-F57 HydrophobicContact CG-CE1 4.08Å; R55-F57 HydrophobicContact CG-CZ 4.49Å; R55-F57 VanDerWaalsContact O-CD1 3.24Å; R55-F57 WeakPolarHBondContact O-CD1 3.33Å; R55-F57 PolarHBondContact O-N 2.85Å
56G84.3Confident81.3Confident11 Ų1178.1 Ų78.111%0.11334%0.341CS..SBendtrans70.317.2-176.400000113.6D19 N20 L21 S54D19-G56 CarbonylContact C-O 3.57Å; N20-G56 PolarHBondContact N-O 2.98Å; L21-G56 PolarHBondContact N-O 3.3Å; L21-G56 WeakPolarHBondContact O-CA 3.23Å; S54-G56 PolarHBondContact O-N 3Å
57F88.1Confident81.7Confident30 Ų3079.7 Ų79.713%0.13235%0.349CS..EExtended strand (participates in β ladder)trans-143.1155174.866-93.5000112.4V18 P46 R55 F59V18-F57 CarbonylContact O-C 3.57Å; V18-F57 WeakPolarHBondContact O-CA 3.28Å; V18-F57 VanDerWaalsContact O-CB 3.27Å; V18-F57 WeakPolarHBondContact O-CB 3.19Å; P46-F57 HydrophobicContact CB-CE2 4.1Å; P46-F57 HydrophobicContact CB-CZ 4.25Å; P46-F57 HydrophobicContact CG-CD2 4.21Å; P46-F57 HydrophobicContact CG-CE2 3.6Å; P46-F57 HydrophobicContact CG-CZ 4.24Å; R55-F57 HydrophobicContact CB-CD1 3.55Å; R55-F57 HydrophobicContact CB-CE1 3.17Å; R55-F57 HydrophobicContact CB-CZ 3.92Å; R55-F57 HydrophobicContact CG-CE1 4.08Å; R55-F57 HydrophobicContact CG-CZ 4.49Å; R55-F57 VanDerWaalsContact O-CD1 3.24Å; R55-F57 WeakPolarHBondContact O-CD1 3.33Å; R55-F57 PolarHBondContact O-N 2.85Å; F57-F59 AromaticContact CD2-CE2 3.86Å; F57-F59 HydrophobicContact CD2-CE2 3.86Å; F57-F59 HydrophobicContact CD2-CZ 4.17Å; F57-F59 AromaticContact CE2-CE2 3.67Å; F57-F59 HydrophobicContact CE2-CE2 3.67Å; F57-F59 HydrophobicContact CE2-CZ 4.05Å
58A89.5Confident82.1Confident0 Ų074.1 Ų74.10%033%0.328CS..EExtended strand (participates in β ladder)trans-138.2161.2179.300000110.5V18 L21 L30 Y44 I45V18-A58 HydrophobicContact CB-CB 4.5Å; V18-A58 PolarHBondContact N-O 2.94Å; V18-A58 PolarHBondContact O-N 2.66Å; L21-A58 HydrophobicContact CD1-CB 3.39Å; L30-A58 HydrophobicContact CD1-CB 3.36Å; Y44-A58 CarbonylContact O-C 3.56Å; Y44-A58 WeakPolarHBondContact O-CA 3.29Å; I45-A58 HydrophobicContact CD1-CB 4.35Å; I45-A58 HydrophobicContact CG1-CB 3.76Å
59F89Confident82.7Confident47 Ų4774.8 Ų74.821%0.20633%0.329CS..EExtended strand (participates in β ladder)trans-118.2127.7170.8-62.7-81.3000108.8L16 K17 V43 Y44 P46 F57 A90L16-F59 CarbonylContact O-C 3.59Å; L16-F59 VanDerWaalsContact O-CA 3.29Å; L16-F59 WeakPolarHBondContact O-CA 3.37Å; K17-F59 HydrophobicContact CB-CD1 4.04Å; K17-F59 HydrophobicContact CB-CE1 3.91Å; K17-F59 HydrophobicContact CD-CE1 3.88Å; K17-F59 HydrophobicContact CD-CZ 4.31Å; K17-F59 HydrophobicContact CG-CD1 4.22Å; K17-F59 HydrophobicContact CG-CE1 3.76Å; K17-F59 HydrophobicContact CG-CZ 4.39Å; V43-F59 CarbonylContact C-O 3.57Å; V43-F59 WeakPolarHBondContact CA-O 2.97Å; Y44-F59 HydrophobicContact CD1-CD2 4.06Å; Y44-F59 PolarHBondContact N-O 3.28Å; Y44-F59 PolarHBondContact O-N 3.25Å; P46-F59 HydrophobicContact CG-CD2 4.09Å; P46-F59 HydrophobicContact CG-CE2 3.88Å; F57-F59 AromaticContact CD2-CE2 3.86Å; F57-F59 HydrophobicContact CD2-CE2 3.86Å; F57-F59 HydrophobicContact CD2-CZ 4.17Å; F57-F59 AromaticContact CE2-CE2 3.67Å; F57-F59 HydrophobicContact CE2-CE2 3.67Å; F57-F59 HydrophobicContact CE2-CZ 4.05Å; F59-A90 HydrophobicContact CD1-CB 4.18Å; F59-A90 HydrophobicContact CE1-CB 4.34Å
60V90Very high83.9Confident0 Ų071.9 Ų71.90%033%0.325CS..EExtended strand (participates in β ladder)trans-117.2127.3176.2-178.40000106.9L16 V18 F34 V40 V43 F62L16-V60 PolarHBondContact N-O 2.75Å; L16-V60 PolarHBondContact O-N 3.39Å; V18-V60 HydrophobicContact CG2-CG2 4.12Å; F34-V60 HydrophobicContact CB-CG1 4.11Å; F34-V60 HydrophobicContact CD2-CG2 4.07Å; F34-V60 HydrophobicContact CE2-CG2 4.35Å; F34-V60 HydrophobicContact CG-CG1 4.22Å; F34-V60 HydrophobicContact CG-CG2 4.34Å; V40-V60 HydrophobicContact CG1-CG1 3.76Å; V40-V60 HydrophobicContact CG2-CG1 4.18Å; V43-V60 HydrophobicContact CG1-CG2 4.32Å; V43-V60 HydrophobicContact CG2-CG1 4.29Å; V43-V60 HydrophobicContact CG2-CG2 4.39Å; V60-F62 HydrophobicContact CB-CE2 4.34Å; V60-F62 HydrophobicContact CG1-CD2 4.06Å; V60-F62 HydrophobicContact CG1-CE2 3.55Å; V60-F62 HydrophobicContact CG1-CZ 4.16Å
61R88.4Confident84.9Confident22 Ų2263 Ų638%0.08329%0.291CS..EExtended strand (participates in β ladder)trans-108128.2179-50.7-172.386166.5-1.9108.7V10 T14 S15 V40 G41 D42V10-R61 PolarHBondContact O-NH2 3.1Å; T14-R61 CarbonylContact O-C 3.59Å; T14-R61 WeakPolarHBondContact O-CA 3.45Å; S15-R61 PolarHBondContact OG-NE 3.45Å; V40-R61 CarbonylContact C-O 3.49Å; G41-R61 PolarHBondContact N-O 2.98Å; D42-R61 HydrophobicContact CB-CB 4.24Å; D42-R61 HydrophobicContact CB-CG 4.26Å; D42-R61 PolarHBondContact N-O 2.89Å; D42-R61 PolarHBondContact O-N 2.79Å
62F89.9Confident85.7Confident0 Ų061.9 Ų61.90%028%0.28CS..EExtended strand (participates in β ladder)trans-104.4149.5175.4-76.1-92.5000110.1M13 T14 L16 F34 V40 V60 D67 A68 A71M13-F62 CarbonylContact C-O 3.59Å; M13-F62 WeakPolarHBondContact CA-O 3.49Å; M13-F62 VanDerWaalsContact CB-O 3.29Å; M13-F62 WeakPolarHBondContact CB-O 3.42Å; T14-F62 PolarHBondContact N-O 2.98Å; T14-F62 PolarHBondContact O-N 3.19Å; L16-F62 HydrophobicContact CD1-CD2 3.92Å; L16-F62 HydrophobicContact CD1-CE2 3.58Å; L16-F62 HydrophobicContact CG-CD2 4.16Å; L16-F62 HydrophobicContact CG-CE2 4.26Å; F34-F62 HydrophobicContact CB-CE2 4.46Å; F34-F62 HydrophobicContact CB-CZ 3.82Å; F34-F62 HydrophobicContact CD1-CE2 4.08Å; F34-F62 AromaticContact CD1-CZ 3.89Å; F34-F62 HydrophobicContact CD1-CZ 3.89Å; F34-F62 HydrophobicContact CG-CZ 4.31Å; V40-F62 HydrophobicContact CG2-CD1 4.36Å; V40-F62 HydrophobicContact CG2-CE1 3.81Å; V40-F62 HydrophobicContact CG2-CZ 4Å; V60-F62 HydrophobicContact CB-CE2 4.34Å; V60-F62 HydrophobicContact CG1-CD2 4.06Å; V60-F62 HydrophobicContact CG1-CE2 3.55Å; V60-F62 HydrophobicContact CG1-CZ 4.16Å; F62-D67 HydrophobicContact CD1-CB 4.08Å; F62-A68 HydrophobicContact CB-CB 3.93Å; F62-A68 HydrophobicContact CD2-CB 3.99Å; F62-A68 HydrophobicContact CG-CB 4.06Å; F62-A71 HydrophobicContact CE1-CB 4.47Å; F62-A71 HydrophobicContact CE2-CB 4.23Å; F62-A71 HydrophobicContact CZ-CB 3.8Å
63L86.9Confident86.8Confident61 Ų6159.9 Ų59.932%0.31928%0.278SS..SBendtrans-68.9-44.3171.8-75.6156.2000110.7M13 R39M13-L63 HydrophobicContact CE-CD2 3.78Å; R39-L63 HydrophobicContact CB-CD1 3.86Å; R39-L63 HydrophobicContact CG-CD1 3.54Å; R39-L63 PolarHBondContact O-N 3.49Å; R39-L63 VanDerWaalsContact O-N 3.15Å
64D88.7Confident87.8Confident88 Ų8856.9 Ų56.947%0.47127%0.272SS..  trans-103.2138.7-177.1-70.2-75000112.4R66 D67 A68D64-R66 VanDerWaalsContact C-N 3.35Å; D64-D67 HydrophobicContact CB-CB 4.17Å; D64-A68 PolarHBondContact O-N 2.83Å
65K88.2Confident88.4Confident105 Ų10557 Ų5746%0.45727%0.272SS..Hα-helixtrans-67.6-36.7175.5-177.3176.4174.9-73.20112T14 A68 E69 M89T14-K65 HydrophobicContact CG2-CG 4.38Å; T14-K65 VanDerWaalsContact OG1-CA 3.28Å; T14-K65 WeakPolarHBondContact OG1-CA 3.34Å; T14-K65 WeakPolarHBondContact OG1-CB 3.22Å; K65-A68 WeakPolarHBondContact O-CB 3.1Å; K65-A68 PolarHBondContact O-N 2.82Å; K65-E69 HydrophobicContact CG-CG 4.48Å; K65-E69 IonicContact NZ-OE1 2.66Å; K65-E69 PolarHBondContact NZ-OE1 2.74Å; K65-E69 IonicContact NZ-OE2 2.85Å; K65-E69 PolarHBondContact NZ-OE2 3.22Å; K65-E69 WeakPolarHBondContact O-CG 3.27Å; K65-E69 PolarHBondContact O-N 2.83Å; K65-M89 HydrophobicContact CD-CE 4.34Å; K65-M89 HydrophobicContact CG-CE 3.97Å
66R90.4Very high89.1Confident214 Ų21453.5 Ų53.581%0.80826%0.264SS*.Hα-helixtrans-62.3-50.8-179-67.2-179.3177.3179.9-1110.8D64 A68 E69 D70D64-R66 VanDerWaalsContact C-N 3.35Å; R66-A68 PolarHBondContact O-N 2.75Å; R66-E69 PolarHBondContact O-N 2.84Å; R66-E69 VanDerWaalsContact O-N 3.11Å; R66-D70 PolarHBondContact O-N 3.21Å
67D90.8Very high89.1Confident45 Ų4554.9 Ų54.924%0.24128%0.279CS..Hα-helixtrans-56.8-39.4174.9-63.18000112.1G38 R39 F62 D64 A71G38-D67 VanDerWaalsContact CA-OD2 3.32Å; G38-D67 WeakPolarHBondContact CA-OD2 3.29Å; R39-D67 PolarHBondContact N-OD2 3.39Å; F62-D67 HydrophobicContact CD1-CB 4.08Å; D64-D67 HydrophobicContact CB-CB 4.17Å; D67-A71 WeakPolarHBondContact O-CB 3.45Å; D67-A71 PolarHBondContact O-N 2.75Å
68A89.9Confident89Confident0 Ų054.8 Ų54.80%028%0.284CS..Hα-helixtrans-68.1-37.1178.300000112.6T14 L16 F62 D64 K65 R66 M72T14-A68 HydrophobicContact CG2-CB 3.44Å; T14-A68 VanDerWaalsContact CG2-CB 3.44Å; L16-A68 HydrophobicContact CD1-CB 4.17Å; L16-A68 WeakPolarHBondContact CD1-O 3.06Å; L16-A68 HydrophobicContact CD2-CB 4.05Å; L16-A68 HydrophobicContact CG-CB 4.07Å; F62-A68 HydrophobicContact CB-CB 3.93Å; F62-A68 HydrophobicContact CD2-CB 3.99Å; F62-A68 HydrophobicContact CG-CB 4.06Å; D64-A68 PolarHBondContact O-N 2.83Å; K65-A68 WeakPolarHBondContact O-CB 3.1Å; K65-A68 PolarHBondContact O-N 2.82Å; R66-A68 PolarHBondContact O-N 2.75Å; A68-M72 VanDerWaalsContact O-CB 3.29Å; A68-M72 WeakPolarHBondContact O-CB 3.39Å; A68-M72 PolarHBondContact O-N 2.87Å
69E90.5Very high88.7Confident77 Ų7761.1 Ų61.136%0.3632%0.317SS..Hα-helixtrans-69.6-42.2176.5-72.2176.6134.700111.1K65 R66 M72 D73 M89K65-E69 HydrophobicContact CG-CG 4.48Å; K65-E69 IonicContact NZ-OE1 2.66Å; K65-E69 PolarHBondContact NZ-OE1 2.74Å; K65-E69 IonicContact NZ-OE2 2.85Å; K65-E69 PolarHBondContact NZ-OE2 3.22Å; K65-E69 WeakPolarHBondContact O-CG 3.27Å; K65-E69 PolarHBondContact O-N 2.83Å; R66-E69 PolarHBondContact O-N 2.84Å; R66-E69 VanDerWaalsContact O-N 3.11Å; E69-M72 WeakPolarHBondContact O-CB 3.46Å; E69-M72 PolarHBondContact O-N 2.79Å; E69-D73 PolarHBondContact O-N 3.17Å; E69-M89 HydrophobicContact CG-CE 4.17Å
70D90.6Very high88.3Confident94 Ų9459.9 Ų59.950%0.50331%0.312SS..Hα-helixtrans-63.1-47.4175.5-168.7-97.5000111.6R66 M72 D73 A74R66-D70 PolarHBondContact O-N 3.21Å; D70-M72 PolarHBondContact O-N 2.82Å; D70-D73 PolarHBondContact O-N 2.77Å; D70-A74 WeakPolarHBondContact O-CB 3.29Å; D70-A74 PolarHBondContact O-N 2.96Å
71A90.3Very high87.7Confident0 Ų064.9 Ų64.90%034%0.339CS..Hα-helixtrans-61.8-33.2175.300000112.6L16 F34 Y37 F62 D67 M75L16-A71 HydrophobicContact CD1-CB 4.16Å; F34-A71 HydrophobicContact CD1-CB 4.14Å; F34-A71 HydrophobicContact CE1-CB 4.49Å; Y37-A71 HydrophobicContact CD2-CB 4.15Å; Y37-A71 HydrophobicContact CG-CB 3.99Å; F62-A71 HydrophobicContact CE1-CB 4.47Å; F62-A71 HydrophobicContact CE2-CB 4.23Å; F62-A71 HydrophobicContact CZ-CB 3.8Å; D67-A71 WeakPolarHBondContact O-CB 3.45Å; D67-A71 PolarHBondContact O-N 2.75Å; A71-M75 WeakPolarHBondContact O-CB 3.25Å; A71-M75 WeakPolarHBondContact O-CG 3.5Å; A71-M75 PolarHBondContact O-N 3.47Å; A71-M75 VanDerWaalsContact O-N 3.1Å
72M90.5Very high87.4Confident56 Ų5667.3 Ų67.328%0.27637%0.371SS..Hα-helixtrans-66.6-48.7176.5-179.2-177.870.700110.7L16 A68 E69 D70 D76 V87L16-M72 HydrophobicContact CD1-CB 4.46Å; L16-M72 HydrophobicContact CD2-CB 4.38Å; A68-M72 VanDerWaalsContact O-CB 3.29Å; A68-M72 WeakPolarHBondContact O-CB 3.39Å; A68-M72 PolarHBondContact O-N 2.87Å; E69-M72 WeakPolarHBondContact O-CB 3.46Å; E69-M72 PolarHBondContact O-N 2.79Å; D70-M72 PolarHBondContact O-N 2.82Å; M72-D76 WeakPolarHBondContact O-CB 3.44Å; M72-D76 PolarHBondContact O-N 3.41Å; M72-V87 HydrophobicContact CB-CG1 4.13Å; M72-V87 HydrophobicContact CG-CB 4.3Å; M72-V87 HydrophobicContact CG-CG1 4.13Å; M72-V87 WeakPolarHBondContact CG-O 3.49Å
73D89.4Confident87.1Confident136 Ų13671.9 Ų71.973%0.72739%0.388SS*.Hα-helixtrans-66.6-42.4-179.1-164.9-99.9000111.9E69 D70E69-D73 PolarHBondContact O-N 3.17Å; D70-D73 PolarHBondContact O-N 2.77Å
74A88.7Confident87.2Confident44 Ų4474.7 Ų74.736%0.36440%0.4SS..Hα-helixtrans-73.8-30.6-177.600000114.2Y37 D70Y37-A74 HydrophobicContact CD1-CB 4.01Å; Y37-A74 HydrophobicContact CE1-CB 3.32Å; D70-A74 WeakPolarHBondContact O-CB 3.29Å; D70-A74 PolarHBondContact O-N 2.96Å
75M87.3Confident87.3Confident13 Ų1370.5 Ų70.56%0.06438%0.377CS..Hα-helixtrans-101.8-14.1-176.7-66.4-65.5-54.500114.1V33 F34 Y37 A71 G77 A78 L85 V87V33-M75 HydrophobicContact CG1-CE 3.37Å; V33-M75 HydrophobicContact CG1-SD 3.76Å; F34-M75 HydrophobicContact CE1-CB 4.07Å; F34-M75 HydrophobicContact CE1-CG 3.99Å; F34-M75 HydrophobicContact CZ-CB 4.18Å; F34-M75 HydrophobicContact CZ-CG 4.26Å; Y37-M75 HydrophobicContact CD2-CG 4.25Å; Y37-M75 HydrophobicContact CE2-CG 3.49Å; Y37-M75 VanDerWaalsContact CE2-CG 3.49Å; Y37-M75 HydrophobicContact CE2-SD 3.6Å; Y37-M75 VanDerWaalsContact CE2-SD 3.6Å; Y37-M75 PolarHBondContact OH-SD 2.83Å; Y37-M75 VanDerWaalsContact OH-SD 3.37Å; A71-M75 WeakPolarHBondContact O-CB 3.25Å; A71-M75 WeakPolarHBondContact O-CG 3.5Å; A71-M75 PolarHBondContact O-N 3.47Å; A71-M75 VanDerWaalsContact O-N 3.1Å; M75-G77 PolarHBondContact O-N 2.79Å; M75-A78 HydrophobicContact CE-CB 4Å; M75-A78 WeakPolarHBondContact O-CB 3.28Å; M75-A78 PolarHBondContact O-N 3.22Å; M75-A78 HydrophobicContact SD-CB 4.33Å; M75-L85 HydrophobicContact CE-CD1 3.7Å; M75-V87 HydrophobicContact CB-CG2 3.82Å
76D89Confident87.4Confident80 Ų8072.8 Ų72.843%0.42838%0.383SS..THydrogen-bonded Turntrans-68123.1171-166-113.4000109.7M72 A78 R86 V87M72-D76 WeakPolarHBondContact O-CB 3.44Å; M72-D76 PolarHBondContact O-N 3.41Å; D76-A78 VanDerWaalsContact C-N 3.31Å; D76-A78 PolarHBondContact O-N 2.71Å; D76-R86 VanDerWaalsContact OD2-CA 3.22Å; D76-R86 WeakPolarHBondContact OD2-CA 2.98Å; D76-V87 HydrophobicContact CB-CB 4.45Å; D76-V87 PolarHBondContact OD2-N 3.32Å
77G84.9Confident87.4Confident40 Ų4062.8 Ų62.841%0.41235%0.346SS..THydrogen-bonded Turntrans83.3-2.4-173.600000115M75 L85M75-G77 PolarHBondContact O-N 2.79Å; G77-L85 WeakPolarHBondContact CA-O 3.42Å; G77-L85 PolarHBondContact N-O 3.09Å
78A85.1Confident87.4Confident29 Ų2965.1 Ų65.124%0.2436%0.355CS..  trans-68.4135.7177.400000111.6M75 D76 L80 E84 L85M75-A78 HydrophobicContact CE-CB 4Å; M75-A78 WeakPolarHBondContact O-CB 3.28Å; M75-A78 PolarHBondContact O-N 3.22Å; M75-A78 HydrophobicContact SD-CB 4.33Å; D76-A78 VanDerWaalsContact C-N 3.31Å; D76-A78 PolarHBondContact O-N 2.71Å; A78-L80 PolarHBondContact O-N 2.65Å; A78-E84 CarbonylContact O-C 3.43Å; A78-E84 WeakPolarHBondContact O-CA 3.47Å; A78-L85 PolarHBondContact O-N 3.18Å
79L84.9Confident87.2Confident133 Ų13368.8 Ų68.870%0.69637%0.373SS*.EExtended strand (participates in β ladder)trans-79.9110.7176.5-70.8165.8000110.4R83 E84L79-R83 WeakPolarHBondContact CA-O 2.92Å; L79-E84 HydrophobicContact CD2-CG 3.57Å; L79-E84 HydrophobicContact CG-CG 4.4Å
80L79.9Confident86.8Confident21 Ų2166 Ų6611%0.1136%0.364CS..EExtended strand (participates in β ladder)trans-120123.7173.2-169.6131.3000109.7L21 T25 V33 A78 G82 R83 L85L21-L80 HydrophobicContact CD2-CD2 4.45Å; T25-L80 HydrophobicContact CG2-CD2 4.11Å; V33-L80 HydrophobicContact CG2-CD1 4.38Å; A78-L80 PolarHBondContact O-N 2.65Å; L80-G82 PolarHBondContact O-N 2.89Å; L80-G82 VanDerWaalsContact O-N 3.15Å; L80-R83 PolarHBondContact N-O 3.47Å; L80-R83 PolarHBondContact O-N 3.34Å; L80-R83 VanDerWaalsContact O-O 3.12Å; L80-L85 HydrophobicContact CB-CD1 3.6Å; L80-L85 HydrophobicContact CB-CD2 3.9Å; L80-L85 HydrophobicContact CB-CG 3.69Å; L80-L85 HydrophobicContact CD1-CD1 3.99Å; L80-L85 HydrophobicContact CD2-CD2 4.4Å; L80-L85 HydrophobicContact CG-CD1 4.24Å
81D78.1Confident85.6Confident104 Ų10472.7 Ų72.756%0.55638%0.382SS*.THydrogen-bonded Turntrans52.634.5-177.2-71.3-77.1000113.6T22 R83T22-D81 HydrophobicContact CG2-CB 3.38Å; T22-D81 WeakPolarHBondContact CG2-OD2 3.25Å; D81-R83 VanDerWaalsContact C-N 3.34Å
82G81.6Confident84.1Confident73 Ų7382.1 Ų82.175%0.75342%0.419SS*.THydrogen-bonded Turntrans77.913.7-179.700000114.9L80L80-G82 PolarHBondContact O-N 2.89Å; L80-G82 VanDerWaalsContact O-N 3.15Å
83R84.1Confident82.6Confident96 Ų9681.8 Ų81.836%0.36243%0.43SS..EExtended strand (participates in β ladder)trans-125139.5173.5-66.1-176177.6-174.7-3.3110.7L79 L80 D81 L85L79-R83 WeakPolarHBondContact CA-O 2.92Å; L80-R83 PolarHBondContact N-O 3.47Å; L80-R83 PolarHBondContact O-N 3.34Å; L80-R83 VanDerWaalsContact O-O 3.12Å; D81-R83 VanDerWaalsContact C-N 3.34Å; R83-L85 PolarHBondContact O-N 3.01Å
84E88.8Confident81.2Confident121 Ų12179.4 Ų79.457%0.56541%0.411SS*.EExtended strand (participates in β ladder)trans-71.8120.1172.9-63.1175.813200109.5N20 A78 L79N20-E84 WeakPolarHBondContact CB-O 3.42Å; N20-E84 PolarHBondContact ND2-O 2.79Å; A78-E84 CarbonylContact O-C 3.43Å; A78-E84 WeakPolarHBondContact O-CA 3.47Å; L79-E84 HydrophobicContact CD2-CG 3.57Å; L79-E84 HydrophobicContact CG-CG 4.4Å
85L90.3Very high79.7Confident0 Ų080.8 Ų80.80%042%0.416CS..  trans-71.1146.7173.8-61.4-174.5000110V18 L21 M75 G77 A78 L80 R83V18-L85 HydrophobicContact CG1-CD2 4.49Å; L21-L85 HydrophobicContact CD2-CD2 3.47Å; L21-L85 VanDerWaalsContact CD2-CD2 3.47Å; L21-L85 HydrophobicContact CG-CD2 4.26Å; M75-L85 HydrophobicContact CE-CD1 3.7Å; G77-L85 WeakPolarHBondContact CA-O 3.42Å; G77-L85 PolarHBondContact N-O 3.09Å; A78-L85 PolarHBondContact O-N 3.18Å; L80-L85 HydrophobicContact CB-CD1 3.6Å; L80-L85 HydrophobicContact CB-CD2 3.9Å; L80-L85 HydrophobicContact CB-CG 3.69Å; L80-L85 HydrophobicContact CD1-CD1 3.99Å; L80-L85 HydrophobicContact CD2-CD2 4.4Å; L80-L85 HydrophobicContact CG-CD1 4.24Å; R83-L85 PolarHBondContact O-N 3.01Å
86R89.6Confident78.3Confident153 Ų15384.8 Ų84.858%0.57744%0.443SS*.EExtended strand (participates in β ladder)trans-117.4124.4166.4-79.5-174.1179.6-118.1-0.1109.2V18 D19 D76V18-R86 CarbonylContact C-O 3.58Å; V18-R86 WeakPolarHBondContact CA-O 3.24Å; D19-R86 HydrophobicContact CB-CB 4.12Å; D19-R86 PolarHBondContact N-O 3.25Å; D19-R86 PolarHBondContact O-N 2.96Å; D19-R86 VanDerWaalsContact O-N 3.1Å; D76-R86 VanDerWaalsContact OD2-CA 3.22Å; D76-R86 WeakPolarHBondContact OD2-CA 2.98Å
87V91.2Very high76.6Confident4 Ų483.6 Ų83.62%0.02444%0.437CS..EExtended strand (participates in β ladder)trans-115.5127.1180-170.70000108.5L16 K17 V18 F34 M72 M75 D76L16-V87 HydrophobicContact CB-CG1 4.11Å; L16-V87 HydrophobicContact CD1-CG1 3.92Å; L16-V87 HydrophobicContact CG-CG1 4.47Å; K17-V87 CarbonylContact O-C 3.58Å; K17-V87 WeakPolarHBondContact O-CA 3.11Å; V18-V87 HydrophobicContact CG1-CG2 4.32Å; V18-V87 HydrophobicContact CG2-CG1 4.42Å; V18-V87 HydrophobicContact CG2-CG2 4.33Å; F34-V87 HydrophobicContact CE1-CG1 4.4Å; F34-V87 HydrophobicContact CE1-CG2 4.33Å; F34-V87 HydrophobicContact CZ-CG2 4.05Å; M72-V87 HydrophobicContact CB-CG1 4.13Å; M72-V87 HydrophobicContact CG-CB 4.3Å; M72-V87 HydrophobicContact CG-CG1 4.13Å; M72-V87 WeakPolarHBondContact CG-O 3.49Å; M75-V87 HydrophobicContact CB-CG2 3.82Å; D76-V87 HydrophobicContact CB-CB 4.45Å; D76-V87 PolarHBondContact OD2-N 3.32Å
88Q89.9Confident75.2Confident94 Ų9485.8 Ų85.844%0.43945%0.446SS..EExtended strand (participates in β ladder)trans-135.3150.3-178.4-64.1-176.212.500110.4L16 K17 A90L16-Q88 CarbonylContact C-O 3.57Å; L16-Q88 WeakPolarHBondContact CA-O 3.45Å; K17-Q88 PolarHBondContact N-O 3.15Å; K17-Q88 PolarHBondContact O-N 3.1Å; Q88-A90 PolarHBondContact O-N 2.82Å
89M87.1Confident73.6Confident76 Ų7692.3 Ų92.337%0.37447%0.473SS..EExtended strand (participates in β ladder)trans-64.5121.4171.8-141.4163.4-156.900110.2T14 L16 K65 E69 R91T14-M89 HydrophobicContact CG2-CE 3.48Å; T14-M89 VanDerWaalsContact CG2-CE 3.48Å; L16-M89 HydrophobicContact CD2-CG 4.47Å; K65-M89 HydrophobicContact CD-CE 4.34Å; K65-M89 HydrophobicContact CG-CE 3.97Å; E69-M89 HydrophobicContact CG-CE 4.17Å; M89-R91 PolarHBondContact O-N 3.44Å
90A81.1Confident72Confident20 Ų2090.9 Ų90.917%0.16546%0.459CS..  trans-75110.9-178.700000109.5S15 K17 F59 Q88 Y92S15-A90 WeakPolarHBondContact O-CA 3.37Å; S15-A90 VanDerWaalsContact O-CB 3.25Å; S15-A90 WeakPolarHBondContact O-CB 3.48Å; S15-A90 PolarHBondContact O-N 2.9Å; K17-A90 HydrophobicContact CB-CB 4.13Å; F59-A90 HydrophobicContact CD1-CB 4.18Å; F59-A90 HydrophobicContact CE1-CB 4.34Å; Q88-A90 PolarHBondContact O-N 2.82Å; A90-Y92 PolarHBondContact O-N 2.83Å
91R66.4Low70.7Confident234 Ų23494.2 Ų94.288%0.88349%0.485SS*.SBendtrans-72-10.2177.2-74.1-170.1164.6-163.6-4.2114.7M89M89-R91 PolarHBondContact O-N 3.44Å
92Y58.2Low69.5Low197 Ų19799.6 Ų99.677%0.77350%0.497SS*.SBendtrans-130.6125.1-175.8-61.3-79.1000110A90A90-Y92 PolarHBondContact O-N 2.83Å
93G59.2Low68Low50 Ų50105.7 Ų105.752%0.51550%0.497SS..  trans-60.5158.2168.500000111.2P95G93-P95 VanDerWaalsContact O-N 3.12Å
94R60.1Low66.4Low85 Ų85104.5 Ų104.532%0.32152%0.515SS..  trans-45.9121.8176.1-175.5178.9-176.6-107.7-8108.7Y44 D97Y44-R94 HydrophobicContact CD1-CG 4.44Å; Y44-R94 HydrophobicContact CE1-CG 4.48Å; R94-D97 IonicContact CZ-OD2 3.64Å; R94-D97 IonicContact NH1-OD2 3.62Å; R94-D97 IonicContact NH2-OD2 2.82Å; R94-D97 PolarHBondContact NH2-OD2 2.9Å
95P57.4Low64.8Low73 Ų73102.4 Ų102.447%0.47452%0.519SS..  trans-56.5135.7175.122.3-31.2000107.8G93 D97G93-P95 VanDerWaalsContact O-N 3.12Å; P95-D97 PolarHBondContact O-N 2.87Å
96P56.4Low63Low97 Ų97107.5 Ų107.563%0.6355%0.552SS**  trans-55.1132.4-176.921.8-32.1000109S98 M99P96-S98 PolarHBondContact O-N 3.24Å; P96-M99 PolarHBondContact O-N 3.49Å
97D55Low60.9Low56 Ų56106 Ų10630%0.29956%0.561SS.*G310 helixtrans-52-16.9-176.5-162.8-92.8000113.4R94 P95 M99 Y100 S101R94-D97 IonicContact CZ-OD2 3.64Å; R94-D97 IonicContact NH1-OD2 3.62Å; R94-D97 IonicContact NH2-OD2 2.82Å; R94-D97 PolarHBondContact NH2-OD2 2.9Å; P95-D97 PolarHBondContact O-N 2.87Å; D97-M99 PolarHBondContact O-N 2.82Å; D97-Y100 PolarHBondContact O-N 3.41Å; D97-S101 PolarHBondContact O-N 3.34Å
98S54.7Low59Low86 Ų86117.9 Ų117.960%0.60161%0.606SS**G310 helixtrans-43.8-24.3173.6-47.90000115.8P96P96-S98 PolarHBondContact O-N 3.24Å
99M51.4Low57.1Low166 Ų166124.4 Ų124.482%0.81863%0.627SS**G310 helixtrans-90.1-19.7177.9-154.7162.6-175.300114P96 D97P96-M99 PolarHBondContact O-N 3.49Å; D97-M99 PolarHBondContact O-N 2.82Å
100Y51.5Low54.7Low102 Ų102132.1 Ų132.140%0.465%0.653SS.*THydrogen-bonded Turntrans-94.3-23.5-176.9-71.4-79.5000114.1R49 D97R49-Y100 PolarHBondContact NH1-O 3.37Å; D97-Y100 PolarHBondContact O-N 3.41Å
101S53.4Low52.9Low92 Ų92134.2 Ų134.264%0.64368%0.676SS**SBendtrans-92.3-9.6175.4-69.40000114.3D97D97-S101 PolarHBondContact O-N 3.34Å
102R51.4Low51.5Low217 Ų217126.7 Ų126.782%0.81967%0.672SS**THydrogen-bonded Turntrans-91.16-175.2-124.2-176.2-145.3-114.95.2116
103R51.7Low50.9Low200 Ų200127.4 Ų127.476%0.75568%0.675SS**THydrogen-bonded Turntrans-111.427.1179-134.3-176.8-157-144.57.5113.3Y50Y50-R103 PolarHBondContact OH-NH1 3.06Å
104G49.7Very low50Low72 Ų72128.2 Ų128.274%0.74268%0.683SS**SBendtrans-133.4-4.2176.500000115.4
105A56Low49Very low77 Ų77134.4 Ų134.464%0.63671%0.707SS**SBendtrans-125.4108.817400000108.9
106P51.3Low48.2Very low107 Ų107141.8 Ų141.870%0.69573%0.725SS**  trans-60.6140.3170.625.7-31.3000108.4R108P106-R108 PolarHBondContact O-N 2.99Å
107P46.1Very low47.4Very low120 Ų120142.2 Ų142.278%0.77973%0.731SS**  trans-57.4117.3168.724.2-30000106.5R109P107-R109 PolarHBondContact O-N 2.69Å
108R50.1Low46.7Very low255 Ų255149.5 Ų149.596%0.96275%0.754SS**  trans-62.983.6170.6-73.6-169.8-179.2-129.33.6107.8P106P106-R108 PolarHBondContact O-N 2.99Å
109R49.9Very low45.8Very low231 Ų231151.7 Ų151.787%0.87277%0.769SS**  trans-129.5102167.4-141.7175.8-161.5-164.64107.4P107P107-R109 PolarHBondContact O-N 2.69Å
110Y38.5Very low45.2Very low238 Ų238153.8 Ų153.893%0.93377%0.768SS**SBendtrans104.1114.7155.4-144.8-99.1000117.8
111G43.3Very low44.8Very low63 Ų63154.3 Ų154.365%0.64979%0.786SS**  trans125.984.8148.800000115.9
112G36.9Very low44.2Very low77 Ų77156.5 Ų156.579%0.79480%0.796SS**  trans-145.679.9168.800000110.6G114G112-G114 PolarHBondContact O-N 3.14Å; G112-G114 VanDerWaalsContact O-N 3.14Å
113Y44.6Very low43.8Very low211 Ų211151.4 Ų151.483%0.82779%0.794SS**  trans-66.198.517238.7-86000109.6
114G39.7Very low43.5Very low68 Ų68148 Ų14870%0.70180%0.797SS**  trans-126.884.1172.900000110.9G112G112-G114 PolarHBondContact O-N 3.14Å; G112-G114 VanDerWaalsContact O-N 3.14Å
115R39.2Very low43.2Very low215 Ų215155.8 Ų155.881%0.81180%0.804SS**  trans33.1103.6131.8-63.2-75.1-169.5-96.22115.1
116R40.6Very low42.3Very low227 Ų227162.1 Ų162.186%0.85781%0.812SS**  59.296.9100.6-170179.5-124.4-1360.9112.7
117S40.3Very low41.6Very low107 Ų107167 Ų16775%0.74882%0.816SS**  169.6131.8118.3-81.70000112.8
118R39.7Very low41Very low209 Ų209173 Ų17379%0.78982%0.824SS**  trans77.979.9138.4-139.6161.5-159.6160.81.4116.8R120R118-R120 PolarHBondContact O-N 2.89Å
119S37.2Very low40.2Very low131 Ų131172 Ų17292%0.91682%0.82SS**  trans-61.688.9151.215.90000109.4
120R38.5Very low39.5Very low211 Ų211165.4 Ų165.480%0.79681%0.809SS**  trans-80.1130.6156.1-97.8178.4172.5168.5-3.7107.8R118R118-R120 PolarHBondContact O-N 2.89Å
121S43.2Very low39.4Very low112 Ų112165.8 Ų165.878%0.78381%0.808SS**  trans-49.7135.3-173.6-33.50000114.3
122T40.6Very low39Very low139 Ų139168.5 Ų168.585%0.85382%0.817SS**  trans-149.8107148.8-65.50000108.3
123S42.7Very low38.9Very low110 Ų110176.6 Ų176.677%0.76982%0.824SS**  trans-61.6148.3179-55.40000112.3
124P45.1Very low38.5Very low127 Ų127171.8 Ų171.883%0.82582%0.821SS**  trans-113.9120.3138.1-2.422.2000110.2
125R44.4Very low38.3Very low237 Ų237180.2 Ų180.289%0.89483%0.832SS**  trans-41139.9157-75.2174.4153.1-158.1-4.3109.7
126R36.6Very low38Very low209 Ų209175 Ų17579%0.78983%0.828SS**  -174.1124.2111.3-75.7-134.2-174.7-124.2-1.5112
127R35.5Very low37.7Very low211 Ų211175.3 Ų175.380%0.79683%0.83SS**  trans58.3106.2134.5-73.4-179.4168.9176.4-5.8119.9
128R34.3Very low37.4Very low246 Ų246175 Ų17593%0.92883%0.828SS**  trans18.8134.4133-57-161.7-175.8-109.85.6117.5
129R33.8Very low37.1Very low234 Ų234176.7 Ų176.788%0.88383%0.834SS**  169.4113.499.5-160.3165.7-170.7-170.22.6111.7
130S35.6Very low36.8Very low92 Ų92175.3 Ų175.364%0.64382%0.824SS**  trans44.1119.4149.267.50000121.4
131R34.6Very low36.5Very low245 Ų245176.1 Ų176.193%0.92583%0.827SS**  170.5127.698.6-104.5171.9171.5148.9-4.1110.7
132S36.9Very low36Very low120 Ų120175.2 Ų175.284%0.83982%0.821SS**  trans-62.5136176.6-31.60000111.8
133R34.8Very low35.7Very low248 Ų248180.3 Ų180.394%0.93682%0.824SS**  trans-165.5113.3137-114.2167.8-179.6167.3-0.2112.3
134S34.7Very low35.1Very low110 Ų110180 Ų18077%0.76982%0.823SS**  trans-59.1139.1166.630.50000112.3
135R35.1Very low34.5Very low245 Ų245185.1 Ų185.193%0.92583%0.825SS**  trans-175.4113.2131.5-108.3168.6174.4167.7-1.8112.6
136S33.4Very low33.9Very low104 Ų104181.4 Ų181.473%0.72782%0.823SS**  trans-47.9141.4159.244.80000114.6
137R35.3Very low33.8Very low235 Ų235183.3 Ų183.389%0.88783%0.83SS**  trans178.3105.7130.1-103.4166.6172.5164.1-2.7113
138S32.5Very low33.5Very low101 Ų101183.5 Ų183.571%0.70683%0.833SS**  trans21.5126.9131.5270000119.8
139R34.1Very low33.4Very low244 Ų244175.6 Ų175.692%0.92182%0.815SS**  160.6120.598.1-113.3165.9177.2167-2.6111.1
140S32.1Very low33.2Very low101 Ų101175.6 Ų175.671%0.70682%0.815SS**  trans-65.6144.9159.646.90000112.1
141R32.3Very low32.9Very low229 Ų229176.1 Ų176.186%0.86482%0.818SS**  150.3120.4115.3-103175.8175162.1-2.7115
142S31.6Very low32.6Very low93 Ų93175.2 Ų175.265%0.6582%0.815SS**  trans50.5124132.555.30000123.8
143R33.6Very low32.3Very low245 Ų245173.9 Ų173.993%0.92581%0.806SS**  65.8144.5125.1-69.7-176.7173.1166.3-2.3121
144S31.3Very low32.1Very low105 Ų105173.3 Ų173.373%0.73480%0.804SS**  trans82.6142.6168-138.10000113.2
145R32.8Very low31.8Very low233 Ų233172.9 Ų172.988%0.87980%0.801SS**  cis-169.7161.536.1-145.4152.9-167.9-1654.7109.1
146N32.2Very low31.4Very low159 Ų159170.8 Ų170.885%0.8579%0.794SS**  trans-32.9144177-100.9-30000117.9Y148N146-Y148 PolarHBondContact O-N 3.38Å
147R33Very low31.3Very low250 Ų250169.6 Ų169.694%0.94379%0.786SS**PPolyproline II helixtrans-60.4118.9161.9-80.9178.5-177.6178.21110.2
148Y29.3Very low31.1Very low215 Ų215169 Ų16984%0.84378%0.784SS**PPolyproline II helixtrans-86.9138.4149.5-177.2-106.4000109.2N146N146-Y148 PolarHBondContact O-N 3.38Å
149S32.3Very low31.2Very low79 Ų79168.5 Ų168.555%0.55278%0.78SS**PPolyproline II helixtrans-64.7137.2177.527.90000113.4
150R30.5Very low31.1Very low234 Ų234168.2 Ų168.288%0.88378%0.779SS**  50.7111.9124.9-138172.8-176.6167.4-0114.5
151S28.8Very low31.4Very low103 Ų103167.9 Ų167.972%0.7278%0.777SS**  168.5163.97250.70000110.8
152R29.2Very low31.5Very low226 Ų226168.2 Ų168.285%0.85378%0.778SS**  trans91101.5143-115.4172.3175.2160-3.4119.8
153S29.2Very low31.8Very low93 Ų93168.6 Ų168.665%0.6578%0.781SS**  78.9142.2120.258.70000121.6
154R31.4Very low31.9Very low235 Ų235168.5 Ų168.589%0.88778%0.78SS**  trans76.2140.6160.8-74.6170.6170.3163.8-4.5115.5
155S27.6Very low32.1Very low102 Ų102168.8 Ų168.871%0.71378%0.782SS**  cis-179.8153.3-24.332.40000104.5
156Y26.7Very low32.4Very low200 Ų200167.3 Ų167.378%0.78478%0.782SS**  trans74100.6155.1-169.2-107.5000118.7
157S30.8Very low32.4Very low80 Ų80165.1 Ų165.156%0.55978%0.779SS**  155.214595.451.20000112.9
158R32.7Very low32.5Very low223 Ų223163.4 Ų163.484%0.84278%0.778SS**  trans58.1134.1147.4-87174.3161.1154.7-5.3118.7
159S33.3Very low32.8Very low89 Ų89158.5 Ų158.562%0.62278%0.776SS**  cis177.9144.6-3.135.80000107.1
160R33.7Very low32.9Very low238 Ų238164.4 Ų164.490%0.89879%0.791SS**  trans60.8136.8142-79.6175169.2169.3-4.2117.9
161S36.5Very low33.1Very low94 Ų94157.7 Ų157.766%0.65778%0.781SS**  cis-178.5147.214.8310000112.1
162R35.8Very low33.3Very low237 Ų237161.7 Ų161.789%0.89479%0.785SS**  trans72.5136.5138.9-73.5171.4173.9171.2-4.9118.1
163S37.6Very low33.5Very low100 Ų100155.5 Ų155.570%0.69978%0.776SS**  cis-171.2139.915.229.20000114.2
164R35.1Very low33.7Very low244 Ų244162.5 Ų162.592%0.92179%0.788SS**  trans55.4137.5135-73.3178.4165.9169.2-6.2120.2
165S36.7Very low33.8Very low110 Ų110157.4 Ų157.477%0.76978%0.784SS**  cis-162.1142.339-43.50000114.9
166K37.6Very low34.6Very low203 Ų203157.1 Ų157.188%0.88378%0.78SS**  trans19.2144141.7-72.3177.9173.7-178.90120.7
167S33.6Very low34.9Very low113 Ų113159 Ų15979%0.7979%0.785SS**  cis-169.913825.428.50000112.3
168K34Very low35Very low213 Ų213165.9 Ų165.993%0.92680%0.799SS**  trans-138.9118.9157.4-89-172.9175.8179.30109.6
169S35.7Very low35Very low113 Ų113159.2 Ų159.279%0.7979%0.787SS**  trans-80.4124.2164.927.60000108.9
170K35.4Very low35Very low202 Ų202164.5 Ų164.588%0.87880%0.799SS**  60127.790.2-91.2-172.5177.7-1800112
171S33.7Very low35Very low94 Ų94158.1 Ų158.166%0.65779%0.79SS**  cis-172.9162.434.1-18.70000113.3
172K33.9Very low34.9Very low187 Ų187163 Ų16381%0.81380%0.8SS**  trans74.2100.5139.5-72.6172.9-177.8-175.20118.1
173S32.4Very low35Very low96 Ų96157.3 Ų157.367%0.67180%0.796SS**  79.3113.682.371.40000114.6
174R33.6Very low35.1Very low239 Ų239158.3 Ų158.390%0.90280%0.8SS**  150.3120.1127.8-82.1177.4176.1-172.7-1.4110.9
175T33Very low35.1Very low129 Ų129152.5 Ų152.579%0.79180%0.797SS**  trans-61.6171.1157.1530000110.2
176P45Very low34.9Very low96 Ų96158.3 Ų158.362%0.62380%0.802SS**  cis-148.7175.120.342.8-22.8000117.5
177R33Very low34.9Very low238 Ų238153.6 Ų153.690%0.89880%0.795SS**  trans65.1152.6150.2-69.9160.7176.8-114.1-2.1115.3
178R32.8Very low34.9Very low225 Ų225160.5 Ų160.585%0.84980%0.803SS**  cis-167.1147.119.1-155.4-174.3165.4-156.6-2.1107.8
179S31.9Very low35Very low84 Ų84155.8 Ų155.859%0.58780%0.797SS**  trans47.1120143.959.20000122.7
180K34.3Very low34.9Very low200 Ų200162.5 Ų162.587%0.8781%0.805SS**  42.8119.9126.9-66.3179.1175.1178.60117.2
181S33Very low35Very low103 Ų103158.6 Ų158.672%0.7280%0.803SS**  167.8150.391.452.30000113.8
182K34.4Very low35Very low198 Ų198166.2 Ų166.286%0.86182%0.818SS**  trans75.7114.3146.3-74.3167179.8-174.80119.8
183S37.4Very low34.9Very low117 Ų117162.8 Ų162.882%0.81882%0.817SS**PPolyproline II helixtrans-51140.4161-40.50000112.9
184P39.8Very low35Very low120 Ų120167.5 Ų167.578%0.77983%0.826SS**PPolyproline II helixtrans-94.5120.6162.430.7-24.4000110.9
185S35.2Very low35Very low122 Ų122161.4 Ų161.485%0.85382%0.819SS**PPolyproline II helixtrans-93.7122156.552.30000108.5
186R34.3Very low35.1Very low232 Ų232167.3 Ų167.388%0.87583%0.827SS**  trans-139.6142.4170-82-174.5173.6-168.7-1.4105
187S36.7Very low34.7Very low105 Ų105168.4 Ų168.473%0.73484%0.837SS**  cis-1721336.235.90000106
188R32.7Very low34.9Very low258 Ų258169.1 Ų169.197%0.97484%0.84SS**  trans-85.8120.8164.9-81.3176.5171.4169.2-2.3108.1
189S36.3Very low35.1Very low114 Ų114164 Ų16480%0.79784%0.839SS**  trans-117.7112.6166.142.80000109
190R34.5Very low35.4Very low254 Ų254170 Ų17096%0.95885%0.854SS**  trans-115112.5164.9-84.6-177.8172.9173.3-2.3106.9
191S36.2Very low35.5Very low119 Ų119165.9 Ų165.983%0.83285%0.851SS**  trans-94.6122165.9410000108.8
192R34.1Very low35.7Very low255 Ų255171.1 Ų171.196%0.96286%0.86SS**  trans-144.9117.4163.4-98.2-174175.9177.3-1.7108.9
193S33Very low35.9Very low115 Ų115167 Ų16780%0.80486%0.857SS**  trans-131.2141.6159.842.80000103.6
194K33.7Very low36.1Very low195 Ų195170.9 Ų170.985%0.84886%0.859SS**  cis-160.5172.832.2-112.1163.3-179.9-178.10108.8
195S33.3Very low35.8Very low110 Ų110169.8 Ų169.877%0.76985%0.854SS**  trans68.6108.2155.461.70000120.7
196R35.5Very low35.9Very low253 Ų253175.5 Ų175.596%0.95586%0.857SS**  trans-140.7103.8143.4-80.8-169.2173.3176.2-4.4110.1
197S37Very low36.2Very low119 Ų119169.9 Ų169.983%0.83285%0.853SS**  trans-69.3136.816237.20000109.6
198R37Very low36.2Very low253 Ų253176.5 Ų176.596%0.95586%0.862SS**  trans-93.5113.7170.7-82.9176.2167172-4.7108.2
199S36.1Very low37Very low119 Ų119171.1 Ų171.183%0.83286%0.858SS**PPolyproline II helixtrans-95.6123.1166.138.10000109.6
200K38.5Very low37.6Very low209 Ų209172 Ų17291%0.90986%0.861SS**PPolyproline II helixtrans-85.7140.2165.7-87.8-178.9173.71790109.1
201S36.2Very low37.5Very low114 Ų114163.6 Ų163.680%0.79785%0.853SS**PPolyproline II helixtrans-52.5131.8173.3460000114.7
202K38.7Very low37.9Very low212 Ų212164 Ų16492%0.92286%0.856SS**  trans-142.9121.6149.4-91.7-173.5178.6176.50110
203S38.8Very low38.2Very low113 Ų113158.1 Ų158.179%0.7984%0.844SS**  trans-66.7140166.643.20000112.4
204K39.8Very low38.6Very low197 Ų197163.3 Ų163.386%0.85785%0.846SS**  trans173.1105.3155.2-100.2168.7-175.6-1700107.8
205S35Very low38.9Very low97 Ų97157.6 Ų157.668%0.67884%0.842SS**  84.8118.39067.40000115.6
206R35.6Very low39.4Very low242 Ų242158.2 Ų158.291%0.91385%0.847SS**  trans68.3116.3141.4-64.3178.9176.1-177.3-1120.8
207S40.6Very low39.9Very low114 Ų114156.3 Ų156.380%0.79785%0.845SS**  171111.612738.50000106.6
208R37.7Very low40.2Very low245 Ų245156 Ų15693%0.92584%0.843SS**  47.998.869-74.2-167.4178-172.6-0.2113.9
209T49.3Very low40.6Very low145 Ų145156 Ų15689%0.8984%0.843SS**  trans-155.3153.913139.80000110.8
210P48.1Very low41.1Very low131 Ų131155.8 Ų155.885%0.85184%0.842SS**  trans-109.7170-161.939.9-28.8000113.9
211G34.3Very low41.4Very low78 Ų78157.9 Ų157.980%0.80484%0.844SS**  trans131.4126.7163.600000111.2
212S43.3Very low42Very low127 Ų127158.4 Ų158.489%0.88885%0.848SS**  cis-158.1145.518.446.20000108.4
213N41.1Very low42.5Very low133 Ų133158.2 Ų158.271%0.71185%0.847SS**  trans-116.6144.1177.3-159.416.7000108.4
214R40.2Very low42.9Very low223 Ų223158.4 Ų158.484%0.84285%0.848SS**  trans68.9135.7155.8-75.1165-177.8-173.9-1119
215G39.9Very low43.4Very low75 Ų75159.1 Ų159.177%0.77385%0.851SS**  trans-91.4-174.2176.500000114.6
216S43.9Very low43.9Very low124 Ų124160.4 Ų160.487%0.86786%0.86SS**  trans-160.9136169.430.60000109.8
217K47.2Very low44.6Very low212 Ų212152.4 Ų152.492%0.92285%0.853SS**  trans-69.6144.9168.2-76.5169.3168.4171.60111.2
218S43.3Very low45.5Very low113 Ų113152.9 Ų152.979%0.7985%0.853SS**  trans-177.2109.6145.146.70000108.7
219R45.6Very low46Very low253 Ų253150.9 Ų150.996%0.95585%0.851SS**  53.7105.187-90.6-171.6173.3-175.8-0.4116.1
220S45.5Very low46.5Very low114 Ų114149.5 Ų149.580%0.79785%0.848SS**  trans-176.3104.5145.949.20000107.4
221R45.3Very low47.1Very low254 Ų254149.2 Ų149.296%0.95885%0.846SS**  52.9101.775.7-127.9-172.7-169.1-171.73114.1
222S48.3Very low47.9Very low125 Ų125149.3 Ų149.387%0.87485%0.847SS**  trans-163.7129.7143.848.30000111.5
223K49Very low48.5Very low208 Ų208150.4 Ų150.490%0.90484%0.843SS**  trans-85148.8176.6-79.7169165.4175.10110.9
224S49.2Very low48.8Very low117 Ų117150.8 Ų150.882%0.81885%0.845SS**  trans176106.4135.642.60000107.7
225K49.6Very low49.3Very low211 Ų211148.8 Ų148.892%0.91785%0.845SS**  51.598.872.8-112.1-168-176.7-171.10114.3
226S44.9Very low50.6Low124 Ų124149.4 Ų149.487%0.86784%0.842SS**  trans175.2105.3131.453.70000112.4
227G49.7Very low50.9Low74 Ų74152.1 Ų152.176%0.76384%0.841SS**  trans-114.7-176.5134.400000107
228P60.1Low52Low124 Ų124150.8 Ų150.881%0.80586%0.855SS**  cis-132.7179.92.939.5-22.1000112.8
229K49.4Very low52.5Low203 Ų203152.7 Ų152.788%0.88386%0.858SS**  trans178.2120.5130.5-102175.7178.7-174.70111.9
230S58.7Low52.8Low116 Ų116147.4 Ų147.481%0.81185%0.853SS**PPolyproline II helixtrans-73.3149.5164.2-44.50000110.7
231P60.2Low53.3Low126 Ų126149.3 Ų149.382%0.81886%0.856SS**PPolyproline II helixtrans-94.3134.8154.127.1-16.3000110.6
232G52.3Low53.7Low79 Ų79143.1 Ų143.181%0.81485%0.85SS**PPolyproline II helixtrans-81.4156.6176.600000113
233N54.5Low54.1Low151 Ų151144.3 Ų144.381%0.80785%0.848SS**PPolyproline II helixtrans-86.5167.4169-73.2-28.2000111.2
234N49.3Very low54.4Low140 Ų140140 Ų14075%0.74985%0.845SS**  trans90136.7164.8-55.1-9.2000114
235E50.3Low54.8Low182 Ų182141.6 Ų141.685%0.8585%0.847SS**  cis-155.9148.419.7-120.2148.8119.500107.9
236A65.6Low55.2Low87 Ų87136.3 Ų136.372%0.71984%0.841SS**  trans-108.8159.1169.300000108.9
237E51.5Low56Low181 Ų181137.3 Ų137.385%0.84684%0.839SS**  trans106.9150.7170.6-62.6-80.7137.200114.8
238P70.7Confident56.6Low185 Ų185143.1 Ų143.1100%1.20185%0.846SS**  cis-117.60-31.529.5-15000113.6

Retrieved 238 of 238 residues in 38.1 ms (Link to these results)