A0A096MWS6_PAPAN Loading...

Ubiquitin-like protein

AlphaFold DB (Q2TA46), UniProt , Accession A0A096MWS6, Species PAPAN (Papio anubis, Olive baboon), Gene UBL3, Length 117 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
1M41.8Very low73.5Confident236 Ų23687 Ų87100%1.16351%0.511SS*.  0107.60-73.7158.6173.300106.6S3M1-S3 PolarHBondContact O-N 3.48Å
2S51.6Low75.1Confident121 Ų12179.8 Ų79.885%0.84647%0.469SS*.  trans-71.897.6177-50.30000107.1N4S2-N4 PolarHBondContact O-N 2.97Å
3S60.1Low76.4Confident89 Ų8981.5 Ų81.562%0.62246%0.462SS*.  trans-54.1105.1174.3-55.50000107.4M1 V5M1-S3 PolarHBondContact O-N 3.48Å; S3-V5 VanDerWaalsContact C-N 3.26Å; S3-V5 PolarHBondContact O-N 3.01Å
4N69.8Low77.6Confident153 Ų15375.6 Ų75.682%0.81843%0.429SS*.  trans-73.489.2-179.7-144.6-90000105.7S2 P6S2-N4 PolarHBondContact O-N 2.97Å; N4-P6 VanDerWaalsContact O-CD 3.3Å; N4-P6 WeakPolarHBondContact O-CD 3.19Å
5V73.2Confident78.5Confident22 Ų2272.9 Ų72.913%0.13341%0.412CS..  trans-67.2117.9176.3-178.30000106S3 A7 N11 L25S3-V5 VanDerWaalsContact C-N 3.26Å; S3-V5 PolarHBondContact O-N 3.01Å; V5-A7 PolarHBondContact O-N 2.96Å; V5-N11 HydrophobicContact CG1-CB 3.98Å; V5-N11 HydrophobicContact CG2-CB 3.65Å; V5-L25 HydrophobicContact CB-CD2 4.46Å; V5-L25 HydrophobicContact CG1-CD2 3.8Å; V5-L25 HydrophobicContact CG2-CD2 4.32Å
6P80.8Confident79.2Confident50 Ų5068.7 Ų68.733%0.32539%0.389SS..  trans-58.1142.1179.515.5-21.3000109.7N4 D8 M9N4-P6 VanDerWaalsContact O-CD 3.3Å; N4-P6 WeakPolarHBondContact O-CD 3.19Å; P6-D8 PolarHBondContact O-N 3.16Å; P6-M9 HydrophobicContact CB-CG 4.45Å; P6-M9 HydrophobicContact CG-CB 3.86Å; P6-M9 HydrophobicContact CG-CE 4.42Å; P6-M9 HydrophobicContact CG-CG 3.72Å; P6-M9 HydrophobicContact CG-SD 3.55Å; P6-M9 VanDerWaalsContact CG-SD 3.55Å; P6-M9 PolarHBondContact O-N 2.74Å
7A78.1Confident79.5Confident75 Ų7570.9 Ų70.962%0.6240%0.404SS*.THydrogen-bonded Turntrans-62.1-14.7-172.500000113.7V5 F80V5-A7 PolarHBondContact O-N 2.96Å; A7-F80 WeakPolarHBondContact O-CB 3.2Å
8D85.3Confident79.7Confident133 Ų13370.9 Ų70.971%0.71141%0.409SS*.THydrogen-bonded Turntrans-98.5-2177.3-59.1-78.6000113.4P6 P28P6-D8 PolarHBondContact O-N 3.16Å; D8-P28 WeakPolarHBondContact O-CD 3.39Å
9M87.4Confident80.1Confident70 Ų7069.7 Ų69.735%0.34541%0.414SS..  trans-115.9160.3179.6-61.4-172.8-178.100112.3P6 L25 G81P6-M9 HydrophobicContact CB-CG 4.45Å; P6-M9 HydrophobicContact CG-CB 3.86Å; P6-M9 HydrophobicContact CG-CE 4.42Å; P6-M9 HydrophobicContact CG-CG 3.72Å; P6-M9 HydrophobicContact CG-SD 3.55Å; P6-M9 VanDerWaalsContact CG-SD 3.55Å; P6-M9 PolarHBondContact O-N 2.74Å; M9-L25 HydrophobicContact SD-CB 4.12Å; M9-G81 PolarHBondContact O-N 2.81Å; M9-G81 VanDerWaalsContact O-N 3.15Å
10I89.5Confident80.5Confident1 Ų169.1 Ų69.11%0.00541%0.405CS..EExtended strand (participates in β ladder)trans-115121.6178.2-59.1165.6000106.8L12 F26 P28 L73 L78 F80I10-L12 HydrophobicContact CG2-CD2 3.79Å; I10-L12 HydrophobicContact CG2-CG 4.4Å; I10-L12 PolarHBondContact O-N 2.79Å; I10-F26 PolarHBondContact N-O 3.1Å; I10-F26 PolarHBondContact O-N 3.11Å; I10-P28 HydrophobicContact CD1-CB 4.19Å; I10-L73 HydrophobicContact CB-CD1 4.38Å; I10-L73 HydrophobicContact CD1-CB 3.72Å; I10-L73 HydrophobicContact CD1-CD1 4.17Å; I10-L78 HydrophobicContact CD1-CB 4.17Å; I10-L78 HydrophobicContact CG2-CB 4.38Å; I10-L78 HydrophobicContact CG2-CD1 4.09Å; I10-F80 HydrophobicContact CD1-CE1 4.45Å; I10-F80 HydrophobicContact CG1-CD1 4.11Å; I10-F80 HydrophobicContact CG1-CE1 4.47Å
11N91.3Very high81.1Confident7 Ų768.3 Ų68.34%0.03740%0.401CS..EExtended strand (participates in β ladder)trans-81.1114.3172.8-176.511.9000108.6V5 E23 F24 L25 K82 T83 T84V5-N11 HydrophobicContact CG1-CB 3.98Å; V5-N11 HydrophobicContact CG2-CB 3.65Å; N11-E23 PolarHBondContact ND2-OE1 3.05Å; N11-F24 CarbonylContact C-O 3.57Å; N11-F24 PolarHBondContact OD1-O 3.49Å; N11-L25 HydrophobicContact CB-CD2 3.88Å; N11-K82 PolarHBondContact N-O 3.07Å; N11-T83 PolarHBondContact ND2-OG1 3.45Å; N11-T83 CarbonylContact O-C 3.58Å; N11-T83 VanDerWaalsContact O-CA 3.24Å; N11-T83 WeakPolarHBondContact O-CA 3.21Å; N11-T84 PolarHBondContact O-N 3.21Å
12L91.9Very high83.4Confident0 Ų061.4 Ų61.40%037%0.365CS..EExtended strand (participates in β ladder)trans-99.6119.7174.5-65.4-170.2000110.1I10 L14 E23 F24 F26 I35 L73 L78 T84 M86I10-L12 HydrophobicContact CG2-CD2 3.79Å; I10-L12 HydrophobicContact CG2-CG 4.4Å; I10-L12 PolarHBondContact O-N 2.79Å; L12-L14 HydrophobicContact CB-CD2 4.43Å; L12-E23 CarbonylContact O-C 3.58Å; L12-E23 WeakPolarHBondContact O-CA 3.33Å; L12-F24 PolarHBondContact N-O 2.81Å; L12-F24 PolarHBondContact O-N 3.15Å; L12-F26 HydrophobicContact CB-CD2 3.95Å; L12-F26 HydrophobicContact CB-CE2 4.3Å; L12-F26 HydrophobicContact CD1-CD2 3.5Å; L12-F26 HydrophobicContact CD1-CE2 4.04Å; L12-F26 HydrophobicContact CD1-CG 4.3Å; L12-F26 HydrophobicContact CG-CD2 3.81Å; L12-I35 HydrophobicContact CD1-CD1 3.73Å; L12-I35 HydrophobicContact CD1-CG1 4.39Å; L12-I35 HydrophobicContact CD1-CG2 4.41Å; L12-L73 HydrophobicContact CD1-CD1 3.8Å; L12-L73 HydrophobicContact CD1-CD2 3.83Å; L12-L73 HydrophobicContact CD1-CG 4.43Å; L12-L73 HydrophobicContact CD2-CD1 4.47Å; L12-L73 HydrophobicContact CD2-CD2 4.31Å; L12-L73 HydrophobicContact CG-CD1 4.22Å; L12-L78 HydrophobicContact CD2-CD1 4.29Å; L12-T84 CarbonylContact C-O 3.49Å; L12-T84 WeakPolarHBondContact CA-O 3.07Å; L12-T84 HydrophobicContact CD2-CG2 4.22Å; L12-M86 HydrophobicContact CD1-CE 4.49Å; L12-M86 HydrophobicContact CD1-SD 4.03Å; L12-M86 HydrophobicContact CD2-CE 3.86Å; L12-M86 HydrophobicContact CD2-SD 4.1Å
13R92.9Very high85.3Confident102 Ų10260 Ų6039%0.38535%0.345SS..EExtended strand (participates in β ladder)trans-92.1104.7167.4-173172.7-177.5-174.4-0.2109T21 K22 E23 T83 T84 V85 M86R13-T21 PolarHBondContact NE-OG1 2.88Å; R13-T21 PolarHBondContact NH2-OG1 3.5Å; R13-K22 CarbonylContact C-O 3.5Å; R13-K22 WeakPolarHBondContact CA-O 2.95Å; R13-E23 HydrophobicContact CB-CG 3.99Å; R13-E23 HydrophobicContact CG-CG 3.95Å; R13-T83 HydrophobicContact CB-CG2 3.76Å; R13-T84 PolarHBondContact N-O 3.27Å; R13-V85 HydrophobicContact CB-CG2 4.31Å; R13-V85 WeakPolarHBondContact O-CA 3.33Å; R13-M86 PolarHBondContact O-N 3.33Å
14L92.5Very high86.8Confident0 Ų056.9 Ų56.90%032%0.32CS..EExtended strand (participates in β ladder)trans-85.1134.4176.4-59.2-177.1000110.2L12 T21 K22 F24 I35 V39 W47 M86L12-L14 HydrophobicContact CB-CD2 4.43Å; L14-T21 CarbonylContact O-C 3.48Å; L14-T21 WeakPolarHBondContact O-CA 3.44Å; L14-K22 PolarHBondContact N-O 2.69Å; L14-K22 PolarHBondContact O-N 2.96Å; L14-F24 HydrophobicContact CD1-CD2 3.76Å; L14-F24 HydrophobicContact CD1-CE2 4Å; L14-F24 HydrophobicContact CG-CD2 4.19Å; L14-I35 HydrophobicContact CD1-CG2 4.45Å; L14-V39 HydrophobicContact CD1-CB 4.36Å; L14-V39 HydrophobicContact CD1-CG1 4.24Å; L14-V39 HydrophobicContact CD1-CG2 3.23Å; L14-W47 HydrophobicContact CB-CH2 4.08Å; L14-M86 CarbonylContact C-O 3.52Å; L14-M86 VanDerWaalsContact CA-O 3.27Å; L14-M86 WeakPolarHBondContact CA-O 3.49Å; L14-M86 HydrophobicContact CD2-CB 3.93Å
15I92Very high87.9Confident34 Ų3453.7 Ų53.717%0.17430%0.303CS..EExtended strand (participates in β ladder)trans-118.1123.9178.4-53.3-169.9000108.9K20 T21 V85 M86 H87 L88I15-K20 WeakPolarHBondContact CA-O 3.22Å; I15-T21 HydrophobicContact CB-CG2 4.23Å; I15-T21 HydrophobicContact CD1-CG2 4.1Å; I15-T21 HydrophobicContact CG1-CG2 3.68Å; I15-T21 HydrophobicContact CG2-CG2 4.11Å; I15-V85 HydrophobicContact CD1-CG1 3.35Å; I15-V85 HydrophobicContact CG1-CG1 3.87Å; I15-M86 PolarHBondContact N-O 3.13Å; I15-H87 CarbonylContact O-C 3.51Å; I15-H87 VanDerWaalsContact O-CA 3.25Å; I15-H87 WeakPolarHBondContact O-CA 3.47Å; I15-L88 PolarHBondContact O-N 3.32Å
16L89.1Confident88.8Confident6 Ų653 Ų533%0.03130%0.298CS..  trans-82.5166.2173.4-91.866.1000111.5S18 G19 K20 W43 W47 E50 L88L16-S18 PolarHBondContact O-N 3.39Å; L16-G19 WeakPolarHBondContact O-CA 3.29Å; L16-G19 PolarHBondContact O-N 3.13Å; L16-K20 PolarHBondContact N-O 3.49Å; L16-W43 HydrophobicContact CD2-CH2 4.46Å; L16-W43 HydrophobicContact CD2-CZ2 4.12Å; L16-W47 HydrophobicContact CD1-CD2 3.45Å; L16-W47 VanDerWaalsContact CD1-CD2 3.45Å; L16-W47 VanDerWaalsContact CD1-CE2 3.4Å; L16-W47 HydrophobicContact CD1-CE3 3.43Å; L16-W47 VanDerWaalsContact CD1-CE3 3.43Å; L16-W47 HydrophobicContact CD1-CG 4.31Å; L16-W47 HydrophobicContact CD1-CH2 3.32Å; L16-W47 HydrophobicContact CD1-CZ2 3.33Å; L16-W47 HydrophobicContact CD1-CZ3 3.39Å; L16-W47 HydrophobicContact CD2-CB 3.82Å; L16-W47 HydrophobicContact CD2-CD2 3.46Å; L16-W47 VanDerWaalsContact CD2-CD2 3.46Å; L16-W47 HydrophobicContact CD2-CE3 3.82Å; L16-W47 HydrophobicContact CD2-CG 3.45Å; L16-W47 VanDerWaalsContact CD2-CG 3.45Å; L16-W47 HydrophobicContact CG-CD2 4.09Å; L16-W47 HydrophobicContact CG-CE3 4.27Å; L16-W47 HydrophobicContact CG-CG 4.49Å; L16-E50 HydrophobicContact CD2-CB 4.02Å; L16-E50 HydrophobicContact CD2-CG 4.37Å; L16-E50 WeakPolarHBondContact CD2-OE2 3.46Å; L16-L88 HydrophobicContact CD1-CB 4.23Å; L16-L88 HydrophobicContact CD1-CD2 4.09Å
17V84.3Confident89.3Confident107 Ų10752.6 Ų52.665%0.64830%0.296SS*.THydrogen-bonded Turntrans-63.4-26175.4-63.60000112.6G19 E50 V89V17-G19 PolarHBondContact O-N 3.26Å; V17-E50 WeakPolarHBondContact CG2-OE1 3.16Å; V17-V89 HydrophobicContact CG1-CB 4.44Å; V17-V89 HydrophobicContact CG1-CG1 3.77Å
18S83.9Confident89.8Confident70 Ų7050.2 Ų50.249%0.4928%0.275SS..THydrogen-bonded Turntrans-67.4-14.4170.4-179.60000113.6L16 K20 E50L16-S18 PolarHBondContact O-N 3.39Å; S18-K20 VanDerWaalsContact C-N 3.34Å; S18-E50 WeakPolarHBondContact CB-OE2 3.49Å
19G86.7Confident90.1Very high49 Ų4950.4 Ų50.451%0.50528%0.275SS..SBendtrans89-1.4-174.400000113.9L16 V17L16-G19 WeakPolarHBondContact O-CA 3.29Å; L16-G19 PolarHBondContact O-N 3.13Å; V17-G19 PolarHBondContact O-N 3.26Å
20K88.8Confident90.4Very high57 Ų5749.2 Ų49.225%0.24827%0.271CS..  trans-65.4137.1172.6-60.2178.6-176.5165.10109.3I15 L16 S18 D46 W47 E49I15-K20 WeakPolarHBondContact CA-O 3.22Å; L16-K20 PolarHBondContact N-O 3.49Å; S18-K20 VanDerWaalsContact C-N 3.34Å; K20-D46 WeakPolarHBondContact CD-O 3.39Å; K20-D46 VanDerWaalsContact CE-O 3.27Å; K20-D46 WeakPolarHBondContact CE-O 3.41Å; K20-D46 PolarHBondContact NZ-O 2.56Å; K20-W47 VanDerWaalsContact CB-NE1 3.32Å; K20-E49 IonicContact NZ-OE2 3.29Å; K20-E49 PolarHBondContact NZ-OE2 2.97Å
21T92.4Very high90.6Very high52 Ų5249.9 Ų49.932%0.31928%0.276SS..EExtended strand (participates in β ladder)trans-125.4139.1-178.875.20000112.3R13 L14 I15R13-T21 PolarHBondContact NE-OG1 2.88Å; R13-T21 PolarHBondContact NH2-OG1 3.5Å; L14-T21 CarbonylContact O-C 3.48Å; L14-T21 WeakPolarHBondContact O-CA 3.44Å; I15-T21 HydrophobicContact CB-CG2 4.23Å; I15-T21 HydrophobicContact CD1-CG2 4.1Å; I15-T21 HydrophobicContact CG1-CG2 3.68Å; I15-T21 HydrophobicContact CG2-CG2 4.11Å
22K90.6Very high90.6Very high92 Ų9249.8 Ų49.840%0.428%0.275SS..EExtended strand (participates in β ladder)trans-137.2139.6175.9-168.870.9171.1-170.80110.4R13 L14 F24 W47R13-K22 CarbonylContact C-O 3.5Å; R13-K22 WeakPolarHBondContact CA-O 2.95Å; L14-K22 PolarHBondContact N-O 2.69Å; L14-K22 PolarHBondContact O-N 2.96Å; K22-F24 HydrophobicContact CB-CD2 4.39Å; K22-F24 HydrophobicContact CB-CE2 3.75Å; K22-F24 HydrophobicContact CB-CZ 4.38Å; K22-F24 HydrophobicContact CG-CD2 4.14Å; K22-F24 HydrophobicContact CG-CE1 4.48Å; K22-F24 HydrophobicContact CG-CE2 3.46Å; K22-F24 VanDerWaalsContact CG-CE2 3.46Å; K22-F24 HydrophobicContact CG-CZ 3.67Å; K22-W47 HydrophobicContact CB-CH2 3.53Å; K22-W47 HydrophobicContact CB-CZ2 3.24Å; K22-W47 HydrophobicContact CG-CZ2 4.4Å
23E91.8Very high90.6Very high92 Ų9252.6 Ų52.643%0.4330%0.295SS..EExtended strand (participates in β ladder)trans-97.6136.1177.5-68.4-177.497.400110.4N11 L12 R13N11-E23 PolarHBondContact ND2-OE1 3.05Å; L12-E23 CarbonylContact O-C 3.58Å; L12-E23 WeakPolarHBondContact O-CA 3.33Å; R13-E23 HydrophobicContact CB-CG 3.99Å; R13-E23 HydrophobicContact CG-CG 3.95Å
24F91.5Very high90.6Very high22 Ų2251.4 Ų51.410%0.09630%0.297CS..EExtended strand (participates in β ladder)trans-136147.5178.5-68.7-84.5000109.5N11 L12 L14 K22 F26 V39 N42 W47N11-F24 CarbonylContact C-O 3.57Å; N11-F24 PolarHBondContact OD1-O 3.49Å; L12-F24 PolarHBondContact N-O 2.81Å; L12-F24 PolarHBondContact O-N 3.15Å; L14-F24 HydrophobicContact CD1-CD2 3.76Å; L14-F24 HydrophobicContact CD1-CE2 4Å; L14-F24 HydrophobicContact CG-CD2 4.19Å; K22-F24 HydrophobicContact CB-CD2 4.39Å; K22-F24 HydrophobicContact CB-CE2 3.75Å; K22-F24 HydrophobicContact CB-CZ 4.38Å; K22-F24 HydrophobicContact CG-CD2 4.14Å; K22-F24 HydrophobicContact CG-CE1 4.48Å; K22-F24 HydrophobicContact CG-CE2 3.46Å; K22-F24 VanDerWaalsContact CG-CE2 3.46Å; K22-F24 HydrophobicContact CG-CZ 3.67Å; F24-F26 HydrophobicContact CB-CD2 3.97Å; F24-F26 HydrophobicContact CB-CE2 3.31Å; F24-F26 HydrophobicContact CB-CZ 3.84Å; F24-F26 HydrophobicContact CG-CE2 4.14Å; F24-F26 HydrophobicContact CG-CZ 4.34Å; F24-V39 HydrophobicContact CD2-CG2 4.34Å; F24-V39 HydrophobicContact CE2-CG2 4.15Å; F24-V39 HydrophobicContact CZ-CG2 4.43Å; F24-N42 HydrophobicContact CE1-CB 4.22Å; F24-W47 HydrophobicContact CE2-CH2 4.12Å; F24-W47 HydrophobicContact CE2-CZ3 4.43Å
25L91.3Very high90.6Very high86 Ų8651.4 Ų51.445%0.4530%0.297SS..EExtended strand (participates in β ladder)trans-99.9124.1176-68.1171.3000109.3V5 M9 N11V5-L25 HydrophobicContact CB-CD2 4.46Å; V5-L25 HydrophobicContact CG1-CD2 3.8Å; V5-L25 HydrophobicContact CG2-CD2 4.32Å; M9-L25 HydrophobicContact SD-CB 4.12Å; N11-L25 HydrophobicContact CB-CD2 3.88Å
26F91.9Very high90.6Very high7 Ų750 Ų503%0.03129%0.289CS..EExtended strand (participates in β ladder)trans-126.4154.1178.1-68.5-73.9000111.5I10 L12 F24 D30 I35 H38 V39 L73I10-F26 PolarHBondContact N-O 3.1Å; I10-F26 PolarHBondContact O-N 3.11Å; L12-F26 HydrophobicContact CB-CD2 3.95Å; L12-F26 HydrophobicContact CB-CE2 4.3Å; L12-F26 HydrophobicContact CD1-CD2 3.5Å; L12-F26 HydrophobicContact CD1-CE2 4.04Å; L12-F26 HydrophobicContact CD1-CG 4.3Å; L12-F26 HydrophobicContact CG-CD2 3.81Å; F24-F26 HydrophobicContact CB-CD2 3.97Å; F24-F26 HydrophobicContact CB-CE2 3.31Å; F24-F26 HydrophobicContact CB-CZ 3.84Å; F24-F26 HydrophobicContact CG-CE2 4.14Å; F24-F26 HydrophobicContact CG-CZ 4.34Å; F26-D30 HydrophobicContact CB-CB 4.47Å; F26-D30 HydrophobicContact CD1-CB 4.44Å; F26-I35 HydrophobicContact CD1-CG1 3.8Å; F26-I35 HydrophobicContact CD2-CG1 4.14Å; F26-I35 HydrophobicContact CD2-CG2 4.32Å; F26-I35 HydrophobicContact CE1-CB 4.2Å; F26-I35 HydrophobicContact CE1-CG1 3.89Å; F26-I35 HydrophobicContact CE1-CG2 4.19Å; F26-I35 HydrophobicContact CE2-CB 4.38Å; F26-I35 HydrophobicContact CE2-CG1 4.17Å; F26-I35 HydrophobicContact CE2-CG2 3.61Å; F26-I35 HydrophobicContact CG-CG1 3.93Å; F26-I35 HydrophobicContact CZ-CB 4.09Å; F26-I35 HydrophobicContact CZ-CG1 4.08Å; F26-I35 HydrophobicContact CZ-CG2 3.57Å; F26-H38 HydrophobicContact CE1-CB 3.73Å; F26-H38 AromaticContact CE1-CD2 3.65Å; F26-H38 AromaticContact CE1-CG 3.69Å; F26-H38 HydrophobicContact CZ-CB 4.14Å; F26-H38 AromaticContact CZ-CD2 3.66Å; F26-V39 HydrophobicContact CZ-CG2 4.29Å; F26-L73 HydrophobicContact CB-CD1 3.51Å; F26-L73 HydrophobicContact CG-CD1 4.42Å
27S91.3Very high90.7Very high42 Ų4255.2 Ų55.229%0.29431%0.312SS..  trans-82.8151.3172.8-59.90000110.3N29 D30S27-N29 PolarHBondContact O-N 2.94Å; S27-D30 WeakPolarHBondContact CA-OD2 3.38Å; S27-D30 WeakPolarHBondContact CB-OD2 3.32Å; S27-D30 PolarHBondContact N-OD2 3.09Å; S27-D30 WeakPolarHBondContact O-CB 2.98Å; S27-D30 PolarHBondContact O-N 3.41Å
28P89.9Confident91.1Very high26 Ų2653.7 Ų53.717%0.16930%0.298CS..THydrogen-bonded Turntrans-58.9-20.4173.626.6-37.8000113.7D8 I10 D30 G74 F80D8-P28 WeakPolarHBondContact O-CD 3.39Å; I10-P28 HydrophobicContact CD1-CB 4.19Å; P28-D30 VanDerWaalsContact C-N 3.35Å; P28-G74 WeakPolarHBondContact O-CA 3.32Å; P28-G74 PolarHBondContact O-N 3.29Å; P28-F80 HydrophobicContact CB-CE1 3.78Å; P28-F80 HydrophobicContact CB-CZ 4.25Å; P28-F80 HydrophobicContact CG-CE1 3.74Å; P28-F80 HydrophobicContact CG-CZ 4.34Å
29N91.6Very high91.4Very high136 Ų13650.4 Ų50.473%0.72727%0.274SS*.THydrogen-bonded Turntrans-79.8-16.7178.5-63.6-38.1000113S27S27-N29 PolarHBondContact O-N 2.94Å
30D92.9Very high91.6Very high46 Ų4651.2 Ų51.225%0.24626%0.263CS..  trans-70.8132.4-178.7-66.9-46.7000110.6F26 S27 P28 D34 I35 T72 L73F26-D30 HydrophobicContact CB-CB 4.47Å; F26-D30 HydrophobicContact CD1-CB 4.44Å; S27-D30 WeakPolarHBondContact CA-OD2 3.38Å; S27-D30 WeakPolarHBondContact CB-OD2 3.32Å; S27-D30 PolarHBondContact N-OD2 3.09Å; S27-D30 WeakPolarHBondContact O-CB 2.98Å; S27-D30 PolarHBondContact O-N 3.41Å; P28-D30 VanDerWaalsContact C-N 3.35Å; D30-D34 HydrophobicContact CB-CB 4.42Å; D30-I35 HydrophobicContact CB-CG1 4.36Å; D30-T72 WeakPolarHBondContact O-CA 3.32Å; D30-L73 PolarHBondContact O-N 2.9Å; D30-L73 VanDerWaalsContact O-N 3.1Å
31S93.3Very high91.6Very high15 Ų1553.4 Ų53.411%0.10528%0.277CS..BIsolated β-bridgetrans-83161.2174.675.90000111.7S33 D34 I35 G69 V71S31-S33 PolarHBondContact O-N 3.42Å; S31-S33 PolarHBondContact OG-N 2.88Å; S31-D34 VanDerWaalsContact CB-OD2 3.29Å; S31-D34 WeakPolarHBondContact CB-OD2 3Å; S31-D34 PolarHBondContact N-OD2 3.16Å; S31-D34 VanDerWaalsContact N-OD2 3.1Å; S31-D34 PolarHBondContact O-N 2.8Å; S31-D34 VanDerWaalsContact OG-CG 3.25Å; S31-D34 PolarHBondContact OG-N 3.21Å; S31-D34 PolarHBondContact OG-OD2 2.93Å; S31-I35 WeakPolarHBondContact O-CG1 3.44Å; S31-I35 PolarHBondContact O-N 3.35Å; S31-G69 WeakPolarHBondContact CB-O 3.24Å; S31-G69 PolarHBondContact OG-O 2.81Å; S31-V71 CarbonylContact C-O 3.52Å; S31-V71 WeakPolarHBondContact CA-O 3.42Å
32A92Very high91.5Very high4 Ų455 Ų553%0.03328%0.284CS..Hα-helixtrans-56.9-30.917300000112.3A36 L60 L67 H68 V71A32-A36 WeakPolarHBondContact O-CB 3.27Å; A32-A36 PolarHBondContact O-N 3.34Å; A32-L60 HydrophobicContact CB-CD1 4.34Å; A32-L60 HydrophobicContact CB-CD2 4.39Å; A32-L60 WeakPolarHBondContact O-CD1 3.39Å; A32-L67 HydrophobicContact CB-CB 4.13Å; A32-H68 WeakPolarHBondContact CB-O 3.49Å; A32-V71 PolarHBondContact N-O 3.37Å
33S91.3Very high91.4Very high59 Ų5952.5 Ų52.541%0.41327%0.272SS..Hα-helixtrans-68.9-41.9173.2-52.60000112S31 I35 A36 K37 G69S31-S33 PolarHBondContact O-N 3.42Å; S31-S33 PolarHBondContact OG-N 2.88Å; S33-I35 VanDerWaalsContact C-N 3.33Å; S33-A36 PolarHBondContact O-N 2.83Å; S33-K37 WeakPolarHBondContact O-CB 3.35Å; S33-K37 PolarHBondContact O-N 3.36Å; S33-G69 WeakPolarHBondContact CB-O 3.4Å; S33-G69 PolarHBondContact N-O 2.76Å; S33-G69 WeakPolarHBondContact OG-CA 3.39Å; S33-G69 PolarHBondContact OG-O 2.83Å
34D93.2Very high91.1Very high78 Ų7848.8 Ų48.842%0.41726%0.256SS..Hα-helixtrans-64.4-41.2177.6-62.3-53.1000110.7D30 S31 K37 H38D30-D34 HydrophobicContact CB-CB 4.42Å; S31-D34 VanDerWaalsContact CB-OD2 3.29Å; S31-D34 WeakPolarHBondContact CB-OD2 3Å; S31-D34 PolarHBondContact N-OD2 3.16Å; S31-D34 VanDerWaalsContact N-OD2 3.1Å; S31-D34 PolarHBondContact O-N 2.8Å; S31-D34 VanDerWaalsContact OG-CG 3.25Å; S31-D34 PolarHBondContact OG-N 3.21Å; S31-D34 PolarHBondContact OG-OD2 2.93Å; D34-K37 PolarHBondContact O-N 2.89Å; D34-H38 VanDerWaalsContact O-CB 3.31Å; D34-H38 WeakPolarHBondContact O-CB 3.35Å; D34-H38 PolarHBondContact O-N 3.34Å
35I92.6Very high90.8Very high0 Ų055.4 Ų55.40%029%0.289CS..Hα-helixtrans-62-49.9174.3-63.8159.8000110.4L12 L14 F26 D30 S31 S33 K37 H38 V39 L60 L73L12-I35 HydrophobicContact CD1-CD1 3.73Å; L12-I35 HydrophobicContact CD1-CG1 4.39Å; L12-I35 HydrophobicContact CD1-CG2 4.41Å; L14-I35 HydrophobicContact CD1-CG2 4.45Å; F26-I35 HydrophobicContact CD1-CG1 3.8Å; F26-I35 HydrophobicContact CD2-CG1 4.14Å; F26-I35 HydrophobicContact CD2-CG2 4.32Å; F26-I35 HydrophobicContact CE1-CB 4.2Å; F26-I35 HydrophobicContact CE1-CG1 3.89Å; F26-I35 HydrophobicContact CE1-CG2 4.19Å; F26-I35 HydrophobicContact CE2-CB 4.38Å; F26-I35 HydrophobicContact CE2-CG1 4.17Å; F26-I35 HydrophobicContact CE2-CG2 3.61Å; F26-I35 HydrophobicContact CG-CG1 3.93Å; F26-I35 HydrophobicContact CZ-CB 4.09Å; F26-I35 HydrophobicContact CZ-CG1 4.08Å; F26-I35 HydrophobicContact CZ-CG2 3.57Å; D30-I35 HydrophobicContact CB-CG1 4.36Å; S31-I35 WeakPolarHBondContact O-CG1 3.44Å; S31-I35 PolarHBondContact O-N 3.35Å; S33-I35 VanDerWaalsContact C-N 3.33Å; I35-K37 VanDerWaalsContact C-N 3.27Å; I35-K37 PolarHBondContact O-N 3.02Å; I35-H38 PolarHBondContact O-N 2.83Å; I35-V39 HydrophobicContact CG2-CG2 4.16Å; I35-V39 WeakPolarHBondContact O-CB 3.31Å; I35-V39 WeakPolarHBondContact O-CG2 3.42Å; I35-V39 PolarHBondContact O-N 3.35Å; I35-L60 HydrophobicContact CB-CD2 4.03Å; I35-L60 HydrophobicContact CD1-CD2 3.97Å; I35-L60 HydrophobicContact CG2-CD2 3.7Å; I35-L73 HydrophobicContact CD1-CD1 3.91Å; I35-L73 HydrophobicContact CD1-CD2 3.63Å; I35-L73 HydrophobicContact CD1-CG 3.75Å
36A91.4Very high90.4Very high3 Ų356.9 Ų56.93%0.02530%0.297CS..Hα-helixtrans-55.8-44.3177.600000111.7A32 S33 Y40 L58 L60A32-A36 WeakPolarHBondContact O-CB 3.27Å; A32-A36 PolarHBondContact O-N 3.34Å; S33-A36 PolarHBondContact O-N 2.83Å; A36-Y40 WeakPolarHBondContact O-CB 3.25Å; A36-Y40 PolarHBondContact O-N 2.7Å; A36-L58 HydrophobicContact CB-CB 3.87Å; A36-L58 HydrophobicContact CB-CD1 4.34Å; A36-L58 WeakPolarHBondContact O-CD1 3.14Å; A36-L60 HydrophobicContact CB-CD1 4.08Å
37K91.7Very high90.2Very high116 Ų11656.7 Ų56.750%0.50430%0.297SS..Hα-helixtrans-65.4-45.8176.3-173.3-177.5175.6-171.60112.3S33 D34 I35 V39 Y40 D41 P55S33-K37 WeakPolarHBondContact O-CB 3.35Å; S33-K37 PolarHBondContact O-N 3.36Å; D34-K37 PolarHBondContact O-N 2.89Å; I35-K37 VanDerWaalsContact C-N 3.27Å; I35-K37 PolarHBondContact O-N 3.02Å; K37-V39 VanDerWaalsContact C-N 3.28Å; K37-V39 PolarHBondContact O-N 3.19Å; K37-Y40 VanDerWaalsContact O-CB 3.32Å; K37-Y40 WeakPolarHBondContact O-CB 3.29Å; K37-Y40 PolarHBondContact O-N 2.96Å; K37-Y40 VanDerWaalsContact O-N 3.16Å; K37-D41 PolarHBondContact O-N 2.66Å; K37-P55 HydrophobicContact CB-CB 4.28Å
38H92.6Very high89.6Confident76 Ų7660.6 Ų60.635%0.35231%0.31SS..Hα-helixtrans-60.1-41.3178.4-175.686.9000111.9F26 D34 I35 D41 N42F26-H38 HydrophobicContact CE1-CB 3.73Å; F26-H38 AromaticContact CE1-CD2 3.65Å; F26-H38 AromaticContact CE1-CG 3.69Å; F26-H38 HydrophobicContact CZ-CB 4.14Å; F26-H38 AromaticContact CZ-CD2 3.66Å; D34-H38 VanDerWaalsContact O-CB 3.31Å; D34-H38 WeakPolarHBondContact O-CB 3.35Å; D34-H38 PolarHBondContact O-N 3.34Å; I35-H38 PolarHBondContact O-N 2.83Å; H38-D41 PolarHBondContact O-N 2.94Å; H38-N42 WeakPolarHBondContact O-CB 3.38Å; H38-N42 PolarHBondContact O-N 3.3Å; H38-N42 PolarHBondContact O-ND2 2.9Å
39V90.8Very high89.1Confident0 Ų067.7 Ų67.70%034%0.341CS..Hα-helixtrans-68.6-39177.21760000111.1L14 F24 F26 I35 K37 N42 W43 W47 L88L14-V39 HydrophobicContact CD1-CB 4.36Å; L14-V39 HydrophobicContact CD1-CG1 4.24Å; L14-V39 HydrophobicContact CD1-CG2 3.23Å; F24-V39 HydrophobicContact CD2-CG2 4.34Å; F24-V39 HydrophobicContact CE2-CG2 4.15Å; F24-V39 HydrophobicContact CZ-CG2 4.43Å; F26-V39 HydrophobicContact CZ-CG2 4.29Å; I35-V39 HydrophobicContact CG2-CG2 4.16Å; I35-V39 WeakPolarHBondContact O-CB 3.31Å; I35-V39 WeakPolarHBondContact O-CG2 3.42Å; I35-V39 PolarHBondContact O-N 3.35Å; K37-V39 VanDerWaalsContact C-N 3.28Å; K37-V39 PolarHBondContact O-N 3.19Å; V39-N42 CarbonylContact O-C 3.57Å; V39-N42 VanDerWaalsContact O-C 3.24Å; V39-N42 PolarHBondContact O-N 2.9Å; V39-W43 HydrophobicContact CG1-CE3 3.94Å; V39-W43 HydrophobicContact CG1-CZ3 3.9Å; V39-W43 VanDerWaalsContact O-CA 3.22Å; V39-W43 WeakPolarHBondContact O-CA 3.13Å; V39-W43 PolarHBondContact O-N 2.84Å; V39-W47 HydrophobicContact CG1-CE3 4.43Å; V39-W47 HydrophobicContact CG1-CZ3 3.66Å; V39-L88 HydrophobicContact CG1-CD2 3.61Å
40Y89.7Confident88.5Confident66 Ų6663.6 Ų63.626%0.25932%0.318SS..Hα-helixtrans-59.1-46.6172.4-177.1-86.1000112A36 K37 V52 S53 P55 L58A36-Y40 WeakPolarHBondContact O-CB 3.25Å; A36-Y40 PolarHBondContact O-N 2.7Å; K37-Y40 VanDerWaalsContact O-CB 3.32Å; K37-Y40 WeakPolarHBondContact O-CB 3.29Å; K37-Y40 PolarHBondContact O-N 2.96Å; K37-Y40 VanDerWaalsContact O-N 3.16Å; Y40-V52 HydrophobicContact CD2-CG2 3.53Å; Y40-V52 HydrophobicContact CE2-CG2 3.73Å; Y40-V52 WeakPolarHBondContact CE2-O 3.27Å; Y40-S53 PolarHBondContact OH-O 3.36Å; Y40-P55 HydrophobicContact CD2-CB 4.16Å; Y40-P55 HydrophobicContact CG-CB 3.95Å; Y40-P55 HydrophobicContact CG-CG 4.38Å; Y40-L58 HydrophobicContact CD2-CD1 4.48Å
41D90.4Very high87.7Confident104 Ų10467.3 Ų67.356%0.55633%0.333SS*.Hα-helixtrans-71-31.2179.8-67.5-29.8000112.2K37 H38K37-D41 PolarHBondContact O-N 2.66Å; H38-D41 PolarHBondContact O-N 2.94Å
42N90.4Very high87.1Confident86 Ų8667.2 Ų67.246%0.4633%0.332SS..THydrogen-bonded Turntrans-107.636.3178.3-64.5-91000111.8F24 H38 V39 P44F24-N42 HydrophobicContact CE1-CB 4.22Å; H38-N42 WeakPolarHBondContact O-CB 3.38Å; H38-N42 PolarHBondContact O-N 3.3Å; H38-N42 PolarHBondContact O-ND2 2.9Å; V39-N42 CarbonylContact O-C 3.57Å; V39-N42 VanDerWaalsContact O-C 3.24Å; V39-N42 PolarHBondContact O-N 2.9Å; N42-P44 WeakPolarHBondContact O-CD 3.37Å; N42-P44 VanDerWaalsContact O-N 3.09Å
43W87.4Confident86.7Confident39 Ų3971.1 Ų71.115%0.14836%0.359CS..  trans-59.8116.8-176-160-100.2000109.4L16 V39 W47 E50 V52 L58 L88L16-W43 HydrophobicContact CD2-CH2 4.46Å; L16-W43 HydrophobicContact CD2-CZ2 4.12Å; V39-W43 HydrophobicContact CG1-CE3 3.94Å; V39-W43 HydrophobicContact CG1-CZ3 3.9Å; V39-W43 VanDerWaalsContact O-CA 3.22Å; V39-W43 WeakPolarHBondContact O-CA 3.13Å; V39-W43 PolarHBondContact O-N 2.84Å; W43-W47 HydrophobicContact CD2-CB 4.45Å; W43-W47 HydrophobicContact CD2-CE3 4.25Å; W43-W47 HydrophobicContact CE3-CE3 4.3Å; W43-W47 HydrophobicContact CH2-CE3 4.21Å; W43-W47 HydrophobicContact CZ2-CB 3.96Å; W43-W47 HydrophobicContact CZ2-CE3 4.13Å; W43-W47 HydrophobicContact CZ3-CE3 4.3Å; W43-W47 VanDerWaalsContact NE1-CB 3.27Å; W43-W47 PolarHBondContact NE1-O 3.28Å; W43-E50 HydrophobicContact CZ2-CB 4.26Å; W43-E50 WeakPolarHBondContact CZ2-O 3.48Å; W43-V52 HydrophobicContact CH2-CG2 4.37Å; W43-V52 HydrophobicContact CZ3-CG2 4.27Å; W43-L58 HydrophobicContact CH2-CD2 4.05Å; W43-L58 HydrophobicContact CZ3-CD1 3.99Å; W43-L58 HydrophobicContact CZ3-CD2 4.04Å; W43-L88 HydrophobicContact CH2-CD2 4.04Å; W43-L88 HydrophobicContact CZ3-CD2 3.89Å
44P85.8Confident86.3Confident14 Ų1470.6 Ų70.69%0.09136%0.355CS..  trans-68.2144.3-176.628.3-33.5000109.6N42 D46 W47N42-P44 WeakPolarHBondContact O-CD 3.37Å; N42-P44 VanDerWaalsContact O-N 3.09Å; P44-D46 PolarHBondContact O-N 2.92Å; P44-D46 VanDerWaalsContact O-N 3.15Å; P44-W47 HydrophobicContact CG-CB 3.97Å; P44-W47 HydrophobicContact CG-CD2 3.15Å; P44-W47 HydrophobicContact CG-CE3 3.39Å; P44-W47 HydrophobicContact CG-CG 3.44Å; P44-W47 VanDerWaalsContact CG-CG 3.44Å; P44-W47 HydrophobicContact CG-CH2 4.31Å; P44-W47 HydrophobicContact CG-CZ2 4.12Å; P44-W47 HydrophobicContact CG-CZ3 3.95Å; P44-W47 WeakPolarHBondContact O-CA 3.4Å; P44-W47 WeakPolarHBondContact O-CB 3.36Å; P44-W47 PolarHBondContact O-N 3.1Å
45M84.6Confident86Confident161 Ų16168.4 Ų68.479%0.79335%0.346SS*.G310 helixtrans-56.2-33.1179.3-64.1178.770.100112.2W47 E48M45-W47 PolarHBondContact O-N 3.19Å; M45-W47 VanDerWaalsContact O-N 3.09Å; M45-E48 VanDerWaalsContact O-CB 3.29Å; M45-E48 WeakPolarHBondContact O-CB 3.47Å; M45-E48 PolarHBondContact O-N 2.97Å; M45-E48 VanDerWaalsContact O-N 3.1Å
46D84.3Confident85.5Confident116 Ų11674.3 Ų74.362%0.6238%0.377SS*.G310 helixtrans-59.6-21.3174.3-64.5-65.1000113K20 P44K20-D46 WeakPolarHBondContact CD-O 3.39Å; K20-D46 VanDerWaalsContact CE-O 3.27Å; K20-D46 WeakPolarHBondContact CE-O 3.41Å; K20-D46 PolarHBondContact NZ-O 2.56Å; P44-D46 PolarHBondContact O-N 2.92Å; P44-D46 VanDerWaalsContact O-N 3.15Å
47W86.2Confident85.3Confident4 Ų475.4 Ų75.42%0.01538%0.382CS..G310 helixtrans-101.85.9-179.6-59.5-2.2000112.9L14 L16 K20 K22 F24 V39 W43 P44 M45 E49 E50 Q51 L88L14-W47 HydrophobicContact CB-CH2 4.08Å; L16-W47 HydrophobicContact CD1-CD2 3.45Å; L16-W47 VanDerWaalsContact CD1-CD2 3.45Å; L16-W47 VanDerWaalsContact CD1-CE2 3.4Å; L16-W47 HydrophobicContact CD1-CE3 3.43Å; L16-W47 VanDerWaalsContact CD1-CE3 3.43Å; L16-W47 HydrophobicContact CD1-CG 4.31Å; L16-W47 HydrophobicContact CD1-CH2 3.32Å; L16-W47 HydrophobicContact CD1-CZ2 3.33Å; L16-W47 HydrophobicContact CD1-CZ3 3.39Å; L16-W47 HydrophobicContact CD2-CB 3.82Å; L16-W47 HydrophobicContact CD2-CD2 3.46Å; L16-W47 VanDerWaalsContact CD2-CD2 3.46Å; L16-W47 HydrophobicContact CD2-CE3 3.82Å; L16-W47 HydrophobicContact CD2-CG 3.45Å; L16-W47 VanDerWaalsContact CD2-CG 3.45Å; L16-W47 HydrophobicContact CG-CD2 4.09Å; L16-W47 HydrophobicContact CG-CE3 4.27Å; L16-W47 HydrophobicContact CG-CG 4.49Å; K20-W47 VanDerWaalsContact CB-NE1 3.32Å; K22-W47 HydrophobicContact CB-CH2 3.53Å; K22-W47 HydrophobicContact CB-CZ2 3.24Å; K22-W47 HydrophobicContact CG-CZ2 4.4Å; F24-W47 HydrophobicContact CE2-CH2 4.12Å; F24-W47 HydrophobicContact CE2-CZ3 4.43Å; V39-W47 HydrophobicContact CG1-CE3 4.43Å; V39-W47 HydrophobicContact CG1-CZ3 3.66Å; W43-W47 HydrophobicContact CD2-CB 4.45Å; W43-W47 HydrophobicContact CD2-CE3 4.25Å; W43-W47 HydrophobicContact CE3-CE3 4.3Å; W43-W47 HydrophobicContact CH2-CE3 4.21Å; W43-W47 HydrophobicContact CZ2-CB 3.96Å; W43-W47 HydrophobicContact CZ2-CE3 4.13Å; W43-W47 HydrophobicContact CZ3-CE3 4.3Å; W43-W47 VanDerWaalsContact NE1-CB 3.27Å; W43-W47 PolarHBondContact NE1-O 3.28Å; P44-W47 HydrophobicContact CG-CB 3.97Å; P44-W47 HydrophobicContact CG-CD2 3.15Å; P44-W47 HydrophobicContact CG-CE3 3.39Å; P44-W47 HydrophobicContact CG-CG 3.44Å; P44-W47 VanDerWaalsContact CG-CG 3.44Å; P44-W47 HydrophobicContact CG-CH2 4.31Å; P44-W47 HydrophobicContact CG-CZ2 4.12Å; P44-W47 HydrophobicContact CG-CZ3 3.95Å; P44-W47 WeakPolarHBondContact O-CA 3.4Å; P44-W47 WeakPolarHBondContact O-CB 3.36Å; P44-W47 PolarHBondContact O-N 3.1Å; M45-W47 PolarHBondContact O-N 3.19Å; M45-W47 VanDerWaalsContact O-N 3.09Å; W47-E49 PolarHBondContact O-N 2.78Å; W47-E49 VanDerWaalsContact O-N 3.11Å; W47-E50 CarbonylContact O-C 3.47Å; W47-E50 WeakPolarHBondContact O-CA 3.35Å; W47-E50 PolarHBondContact O-N 2.83Å; W47-Q51 PolarHBondContact O-N 2.91Å; W47-L88 HydrophobicContact CZ3-CD2 4.05Å
48E80.7Confident85.1Confident123 Ų12370.1 Ų70.158%0.57536%0.36SS*.G310 helixtrans-51.7-38.4-174.9-170.4177.6125.200113.1M45 E50 Q51M45-E48 VanDerWaalsContact O-CB 3.29Å; M45-E48 WeakPolarHBondContact O-CB 3.47Å; M45-E48 PolarHBondContact O-N 2.97Å; M45-E48 VanDerWaalsContact O-N 3.1Å; E48-E50 PolarHBondContact O-N 3.44Å; E48-Q51 WeakPolarHBondContact O-CB 3.28Å; E48-Q51 PolarHBondContact O-N 3.03Å
49E78.9Confident84.9Confident176 Ų17671.3 Ų71.382%0.82236%0.361SS*.G310 helixtrans-61.7-25.6176-61.4178.6107.700114.2K20 W47K20-E49 IonicContact NZ-OE2 3.29Å; K20-E49 PolarHBondContact NZ-OE2 2.97Å; W47-E49 PolarHBondContact O-N 2.78Å; W47-E49 VanDerWaalsContact O-N 3.11Å
50E77.9Confident84.8Confident50 Ų5071.4 Ų71.423%0.23436%0.361CS..G310 helixtrans-103.914.1178.1-62.8-166.274.600112.1L16 V17 S18 W43 W47 E48 V52L16-E50 HydrophobicContact CD2-CB 4.02Å; L16-E50 HydrophobicContact CD2-CG 4.37Å; L16-E50 WeakPolarHBondContact CD2-OE2 3.46Å; V17-E50 WeakPolarHBondContact CG2-OE1 3.16Å; S18-E50 WeakPolarHBondContact CB-OE2 3.49Å; W43-E50 HydrophobicContact CZ2-CB 4.26Å; W43-E50 WeakPolarHBondContact CZ2-O 3.48Å; W47-E50 CarbonylContact O-C 3.47Å; W47-E50 WeakPolarHBondContact O-CA 3.35Å; W47-E50 PolarHBondContact O-N 2.83Å; E48-E50 PolarHBondContact O-N 3.44Å; E50-V52 PolarHBondContact O-N 2.78Å
51Q77Confident84.9Confident124 Ų12469.4 Ų69.458%0.57936%0.355SS*.  trans-59.4132179.4-173178.6-2.100110.6W47 E48W47-Q51 PolarHBondContact O-N 2.91Å; E48-Q51 WeakPolarHBondContact O-CB 3.28Å; E48-Q51 PolarHBondContact O-N 3.03Å
52V80.8Confident84.9Confident12 Ų1266.7 Ų66.77%0.07334%0.337CS..  trans-96.6154.9-176.9-77.10000112.3Y40 W43 E50 S54 I57 L58 A90Y40-V52 HydrophobicContact CD2-CG2 3.53Å; Y40-V52 HydrophobicContact CE2-CG2 3.73Å; Y40-V52 WeakPolarHBondContact CE2-O 3.27Å; W43-V52 HydrophobicContact CH2-CG2 4.37Å; W43-V52 HydrophobicContact CZ3-CG2 4.27Å; E50-V52 PolarHBondContact O-N 2.78Å; V52-S54 VanDerWaalsContact C-N 3.3Å; V52-S54 PolarHBondContact O-N 3.42Å; V52-I57 HydrophobicContact CB-CD1 3.72Å; V52-I57 HydrophobicContact CB-CG1 4.15Å; V52-I57 HydrophobicContact CG1-CD1 3.6Å; V52-I57 HydrophobicContact CG1-CG1 4.17Å; V52-L58 HydrophobicContact CB-CD2 4.48Å; V52-L58 HydrophobicContact CG1-CD2 3.92Å; V52-L58 HydrophobicContact CG2-CD1 4.04Å; V52-L58 HydrophobicContact CG2-CD2 3.83Å; V52-L58 HydrophobicContact CG2-CG 3.96Å; V52-A90 HydrophobicContact CG1-CB 3.24Å
53S82.2Confident84.7Confident87 Ų8770 Ų7061%0.60835%0.35SS*.SBendtrans-73.7-20.5174.3-55.90000113.2Y40Y40-S53 PolarHBondContact OH-O 3.36Å
54S84.4Confident84.7Confident47 Ų4771.3 Ų71.333%0.32938%0.376SS..  trans-154.9149.5-177-73.20000112.7V52 N56 I57V52-S54 VanDerWaalsContact C-N 3.3Å; V52-S54 PolarHBondContact O-N 3.42Å; S54-N56 VanDerWaalsContact C-N 3.25Å; S54-N56 PolarHBondContact O-N 2.86Å; S54-I57 WeakPolarHBondContact O-CG1 3.39Å
55P85.6Confident84.7Confident33 Ų3380 Ų8021%0.21441%0.407CS..G310 helixtrans-69.8-23.217327.2-34.4000112.8K37 Y40 I57 L58K37-P55 HydrophobicContact CB-CB 4.28Å; Y40-P55 HydrophobicContact CD2-CB 4.16Å; Y40-P55 HydrophobicContact CG-CB 3.95Å; Y40-P55 HydrophobicContact CG-CG 4.38Å; P55-I57 PolarHBondContact O-N 2.79Å; P55-L58 WeakPolarHBondContact O-CB 3.37Å; P55-L58 PolarHBondContact O-N 2.89Å; P55-L58 VanDerWaalsContact O-N 3.13Å
56N83.5Confident84.9Confident124 Ų12477.9 Ų77.966%0.66339%0.393SS*.G310 helixtrans-66.4-24.6-176.3-65.3-44000114.3S54 L58S54-N56 VanDerWaalsContact C-N 3.25Å; S54-N56 PolarHBondContact O-N 2.86Å; N56-L58 VanDerWaalsContact C-N 3.32Å
57I86Confident85.2Confident25 Ų2573.1 Ų73.113%0.12837%0.368CS..G310 helixtrans-86.3-10.5179.863.2159.6000111.9V52 S54 P55 R59 R91 E92V52-I57 HydrophobicContact CB-CD1 3.72Å; V52-I57 HydrophobicContact CB-CG1 4.15Å; V52-I57 HydrophobicContact CG1-CD1 3.6Å; V52-I57 HydrophobicContact CG1-CG1 4.17Å; S54-I57 WeakPolarHBondContact O-CG1 3.39Å; P55-I57 PolarHBondContact O-N 2.79Å; I57-R59 PolarHBondContact O-N 2.88Å; I57-R91 PolarHBondContact O-N 2.73Å; I57-E92 HydrophobicContact CB-CG 4.21Å; I57-E92 HydrophobicContact CD1-CB 4.48Å; I57-E92 HydrophobicContact CD1-CG 3.23Å; I57-E92 HydrophobicContact CG1-CG 4.3Å; I57-E92 HydrophobicContact CG2-CB 4.43Å; I57-E92 HydrophobicContact CG2-CG 4.03Å
58L88.2Confident85.1Confident6 Ų679.3 Ų79.33%0.03140%0.397CS..EExtended strand (participates in β ladder)trans-75.1126.1173.7-63.7173.2000109.1A36 Y40 W43 V52 P55 N56 L88 V89 A90A36-L58 HydrophobicContact CB-CB 3.87Å; A36-L58 HydrophobicContact CB-CD1 4.34Å; A36-L58 WeakPolarHBondContact O-CD1 3.14Å; Y40-L58 HydrophobicContact CD2-CD1 4.48Å; W43-L58 HydrophobicContact CH2-CD2 4.05Å; W43-L58 HydrophobicContact CZ3-CD1 3.99Å; W43-L58 HydrophobicContact CZ3-CD2 4.04Å; V52-L58 HydrophobicContact CB-CD2 4.48Å; V52-L58 HydrophobicContact CG1-CD2 3.92Å; V52-L58 HydrophobicContact CG2-CD1 4.04Å; V52-L58 HydrophobicContact CG2-CD2 3.83Å; V52-L58 HydrophobicContact CG2-CG 3.96Å; P55-L58 WeakPolarHBondContact O-CB 3.37Å; P55-L58 PolarHBondContact O-N 2.89Å; P55-L58 VanDerWaalsContact O-N 3.13Å; N56-L58 VanDerWaalsContact C-N 3.32Å; L58-L88 HydrophobicContact CB-CD1 4.09Å; L58-L88 HydrophobicContact CD2-CD1 4.33Å; L58-L88 HydrophobicContact CD2-CD2 4.27Å; L58-L88 HydrophobicContact CD2-CG 4.18Å; L58-V89 WeakPolarHBondContact CA-O 3.46Å; L58-A90 HydrophobicContact CD2-CB 4.26Å
59R87.1Confident85.4Confident101 Ų10173.9 Ų73.938%0.38137%0.374SS..EExtended strand (participates in β ladder)trans-118.2132.3174.7-60.2-63.3-174.6-1530.1109I57 F66 V89I57-R59 PolarHBondContact O-N 2.88Å; R59-F66 HydrophobicContact CB-CD1 4.1Å; R59-V89 HydrophobicContact CB-CG2 3.89Å; R59-V89 PolarHBondContact N-O 2.95Å; R59-V89 PolarHBondContact O-N 2.89Å
60L90.5Very high85.9Confident2 Ų272 Ų721%0.0137%0.369CS..EExtended strand (participates in β ladder)trans-88.5139.2172.4-75.475.5000109.2A32 I35 A36 F66 L67 M86 H87 L88A32-L60 HydrophobicContact CB-CD1 4.34Å; A32-L60 HydrophobicContact CB-CD2 4.39Å; A32-L60 WeakPolarHBondContact O-CD1 3.39Å; I35-L60 HydrophobicContact CB-CD2 4.03Å; I35-L60 HydrophobicContact CD1-CD2 3.97Å; I35-L60 HydrophobicContact CG2-CD2 3.7Å; A36-L60 HydrophobicContact CB-CD1 4.08Å; L60-F66 CarbonylContact O-C 3.52Å; L60-F66 WeakPolarHBondContact O-CA 3.44Å; L60-L67 HydrophobicContact CB-CB 4.14Å; L60-L67 HydrophobicContact CB-CD1 4.01Å; L60-L67 HydrophobicContact CB-CG 4.4Å; L60-L67 HydrophobicContact CD2-CD1 4.48Å; L60-L67 PolarHBondContact O-N 3.42Å; L60-M86 HydrophobicContact CD2-SD 4.01Å; L60-H87 CarbonylContact C-O 3.24Å; L60-H87 WeakPolarHBondContact CA-O 3.33Å; L60-L88 HydrophobicContact CD1-CD1 4.1Å; L60-L88 HydrophobicContact CG-CD1 4.36Å
61I90.9Very high86.6Confident24 Ų2471.8 Ų71.812%0.12337%0.371CS..EExtended strand (participates in β ladder)trans-122.1122.7175.5-52.4171.5000108.2R65 F66 M86 H87 V89I61-R65 CarbonylContact C-O 3.59Å; I61-R65 VanDerWaalsContact CA-O 3.28Å; I61-R65 WeakPolarHBondContact CA-O 3.4Å; I61-F66 HydrophobicContact CD1-CD1 4.04Å; I61-F66 HydrophobicContact CD1-CE1 3.45Å; I61-F66 VanDerWaalsContact CD1-CE1 3.45Å; I61-F66 HydrophobicContact CD1-CE2 4.5Å; I61-F66 HydrophobicContact CD1-CZ 3.71Å; I61-F66 HydrophobicContact CG1-CD1 3.6Å; I61-F66 HydrophobicContact CG1-CE1 3.58Å; I61-F66 HydrophobicContact CG1-CG 4.22Å; I61-F66 HydrophobicContact CG1-CZ 4.16Å; I61-M86 CarbonylContact O-C 3.58Å; I61-M86 WeakPolarHBondContact O-CA 3.2Å; I61-H87 HydrophobicContact CB-CB 4.12Å; I61-H87 PolarHBondContact N-O 2.85Å; I61-H87 PolarHBondContact O-N 3.35Å; I61-V89 HydrophobicContact CD1-CG1 3.69Å; I61-V89 HydrophobicContact CD1-CG2 3.93Å; I61-V89 HydrophobicContact CG1-CG2 4.36Å
62Y91Very high87.3Confident46 Ų4668.2 Ų68.218%0.1836%0.358CS..EExtended strand (participates in β ladder)trans-121.8125.1176.6178.9-117.5000109.7G64 R65 L76 L78 T84 M86Y62-G64 PolarHBondContact O-N 3.1Å; Y62-R65 PolarHBondContact N-O 2.83Å; Y62-R65 WeakPolarHBondContact O-CB 3.37Å; Y62-R65 PolarHBondContact O-N 3.04Å; Y62-L76 HydrophobicContact CD1-CD1 4.24Å; Y62-L76 HydrophobicContact CD1-CD2 4.4Å; Y62-L78 HydrophobicContact CE1-CD2 4.03Å; Y62-L78 HydrophobicContact CE2-CD2 4.19Å; Y62-L78 WeakPolarHBondContact OH-CD2 3.3Å; Y62-T84 HydrophobicContact CD2-CG2 3.95Å; Y62-T84 HydrophobicContact CE2-CG2 3.38Å; Y62-M86 HydrophobicContact CD2-CE 3.98Å; Y62-M86 HydrophobicContact CD2-CG 3.91Å; Y62-M86 HydrophobicContact CG-CE 4.09Å; Y62-M86 HydrophobicContact CG-CG 4.45Å
63Q86.6Confident87.8Confident155 Ų15567.7 Ų67.772%0.72436%0.355SS*.THydrogen-bonded Turntrans50.739.7-177.5-57.1-175.3-67.100114R65Q63-R65 VanDerWaalsContact C-N 3.25Å; Q63-R65 PolarHBondContact O-N 3Å
64G85.8Confident88.1Confident68 Ų6865.3 Ų65.370%0.70134%0.344SS*.THydrogen-bonded Turntrans75.48-177.800000114.8Y62Y62-G64 PolarHBondContact O-N 3.1Å
65R87.2Confident88.3Confident195 Ų19566.3 Ų66.374%0.73636%0.355SS*.EExtended strand (participates in β ladder)trans-111.2130.4177.2-59.9-178.3172.8-166.9-3.1110.5I61 Y62 Q63 L67I61-R65 CarbonylContact C-O 3.59Å; I61-R65 VanDerWaalsContact CA-O 3.28Å; I61-R65 WeakPolarHBondContact CA-O 3.4Å; Y62-R65 PolarHBondContact N-O 2.83Å; Y62-R65 WeakPolarHBondContact O-CB 3.37Å; Y62-R65 PolarHBondContact O-N 3.04Å; Q63-R65 VanDerWaalsContact C-N 3.25Å; Q63-R65 PolarHBondContact O-N 3Å; R65-L67 PolarHBondContact O-N 3.32Å
66F88.3Confident88.4Confident117 Ų11766.9 Ų66.951%0.51336%0.356SS..EExtended strand (participates in β ladder)trans-68.9126171.5-67.8-91.9000109.6R59 L60 I61 V89R59-F66 HydrophobicContact CB-CD1 4.1Å; L60-F66 CarbonylContact O-C 3.52Å; L60-F66 WeakPolarHBondContact O-CA 3.44Å; I61-F66 HydrophobicContact CD1-CD1 4.04Å; I61-F66 HydrophobicContact CD1-CE1 3.45Å; I61-F66 VanDerWaalsContact CD1-CE1 3.45Å; I61-F66 HydrophobicContact CD1-CE2 4.5Å; I61-F66 HydrophobicContact CD1-CZ 3.71Å; I61-F66 HydrophobicContact CG1-CD1 3.6Å; I61-F66 HydrophobicContact CG1-CE1 3.58Å; I61-F66 HydrophobicContact CG1-CG 4.22Å; I61-F66 HydrophobicContact CG1-CZ 4.16Å; F66-V89 HydrophobicContact CE1-CG2 4.04Å
67L89.8Confident88.5Confident17 Ų1770 Ų709%0.08936%0.364CS..EExtended strand (participates in β ladder)trans-81.6130.6172.4-62.6-180000109A32 L60 R65 V71 L76 M86A32-L67 HydrophobicContact CB-CB 4.13Å; L60-L67 HydrophobicContact CB-CB 4.14Å; L60-L67 HydrophobicContact CB-CD1 4.01Å; L60-L67 HydrophobicContact CB-CG 4.4Å; L60-L67 HydrophobicContact CD2-CD1 4.48Å; L60-L67 PolarHBondContact O-N 3.42Å; R65-L67 PolarHBondContact O-N 3.32Å; L67-V71 HydrophobicContact CD2-CG1 4.41Å; L67-L76 HydrophobicContact CD1-CD1 3.73Å; L67-L76 HydrophobicContact CD2-CD1 3.88Å; L67-L76 HydrophobicContact CD2-CD2 3.74Å; L67-L76 HydrophobicContact CD2-CG 4.38Å; L67-L76 HydrophobicContact CG-CD1 4.48Å; L67-M86 HydrophobicContact CD1-CE 4.07Å; L67-M86 HydrophobicContact CD1-SD 3.92Å
68H85.5Confident88.4Confident133 Ų13369.2 Ų69.262%0.61636%0.36SS*.PPolyproline II helixtrans-72.6146.1172-169-100.3000109.4A32 N70 V71A32-H68 WeakPolarHBondContact CB-O 3.49Å; H68-N70 PolarHBondContact ND1-N 2.89Å; H68-N70 PolarHBondContact O-N 3.19Å; H68-V71 HydrophobicContact CB-CG2 4.04Å; H68-V71 WeakPolarHBondContact O-CB 3.4Å; H68-V71 PolarHBondContact O-N 3.07Å
69G87.2Confident88.1Confident9 Ų971.8 Ų71.89%0.09338%0.377CS..THydrogen-bonded Turntrans-54.2-25.3-178.800000114.4S31 S33S31-G69 WeakPolarHBondContact CB-O 3.24Å; S31-G69 PolarHBondContact OG-O 2.81Å; S33-G69 WeakPolarHBondContact CB-O 3.4Å; S33-G69 PolarHBondContact N-O 2.76Å; S33-G69 WeakPolarHBondContact OG-CA 3.39Å; S33-G69 PolarHBondContact OG-O 2.83Å
70N88.9Confident88Confident137 Ų13772.5 Ų72.573%0.73338%0.383SS*.THydrogen-bonded Turntrans-88.2-1.1-179.9-151.254.3000114.5H68H68-N70 PolarHBondContact ND1-N 2.89Å; H68-N70 PolarHBondContact O-N 3.19Å
71V91.2Very high87.6Confident45 Ų4574.1 Ų74.127%0.27340%0.4SS..  trans-84.6126.7179.7174.60000109.3S31 A32 L67 H68 A75 L76S31-V71 CarbonylContact C-O 3.52Å; S31-V71 WeakPolarHBondContact CA-O 3.42Å; A32-V71 PolarHBondContact N-O 3.37Å; L67-V71 HydrophobicContact CD2-CG1 4.41Å; H68-V71 HydrophobicContact CB-CG2 4.04Å; H68-V71 WeakPolarHBondContact O-CB 3.4Å; H68-V71 PolarHBondContact O-N 3.07Å; V71-A75 HydrophobicContact CG1-CB 4.41Å; V71-L76 HydrophobicContact CG1-CD2 4.1Å; V71-L76 HydrophobicContact CG1-CG 4.12Å
72T93.2Very high87.3Confident49 Ų4979.3 Ų79.330%0.30142%0.422SS..BIsolated β-bridgetrans-88.5154.4174.360.90000112D30 G74 A75D30-T72 WeakPolarHBondContact O-CA 3.32Å; T72-G74 PolarHBondContact O-N 3.29Å; T72-A75 WeakPolarHBondContact O-CB 3.47Å; T72-A75 PolarHBondContact O-N 3Å; T72-A75 PolarHBondContact OG1-N 2.87Å
73L89.9Confident87.2Confident2 Ų280.4 Ų80.41%0.0143%0.434CS..THydrogen-bonded Turntrans-61-33.4175.9-64.8-179000112.7I10 L12 F26 D30 I35 A75 L76 L78 M86I10-L73 HydrophobicContact CB-CD1 4.38Å; I10-L73 HydrophobicContact CD1-CB 3.72Å; I10-L73 HydrophobicContact CD1-CD1 4.17Å; L12-L73 HydrophobicContact CD1-CD1 3.8Å; L12-L73 HydrophobicContact CD1-CD2 3.83Å; L12-L73 HydrophobicContact CD1-CG 4.43Å; L12-L73 HydrophobicContact CD2-CD1 4.47Å; L12-L73 HydrophobicContact CD2-CD2 4.31Å; L12-L73 HydrophobicContact CG-CD1 4.22Å; F26-L73 HydrophobicContact CB-CD1 3.51Å; F26-L73 HydrophobicContact CG-CD1 4.42Å; D30-L73 PolarHBondContact O-N 2.9Å; D30-L73 VanDerWaalsContact O-N 3.1Å; I35-L73 HydrophobicContact CD1-CD1 3.91Å; I35-L73 HydrophobicContact CD1-CD2 3.63Å; I35-L73 HydrophobicContact CD1-CG 3.75Å; L73-A75 VanDerWaalsContact C-N 3.29Å; L73-A75 PolarHBondContact O-N 2.93Å; L73-L76 HydrophobicContact CD2-CD1 4.4Å; L73-L76 WeakPolarHBondContact O-CB 3.4Å; L73-L76 PolarHBondContact O-N 3.18Å; L73-L78 HydrophobicContact CB-CD1 4.36Å; L73-L78 HydrophobicContact CD2-CD1 3.94Å; L73-M86 HydrophobicContact CD2-CE 3.76Å; L73-M86 HydrophobicContact CD2-SD 4.48Å
74G88.9Confident87.4Confident37 Ų3773.5 Ų73.538%0.38140%0.402SS..G310 helixtrans-62.4-34.6173.800000112.8P28 T72 L76 K77P28-G74 WeakPolarHBondContact O-CA 3.32Å; P28-G74 PolarHBondContact O-N 3.29Å; T72-G74 PolarHBondContact O-N 3.29Å; G74-L76 PolarHBondContact O-N 2.82Å; G74-K77 PolarHBondContact O-N 3.42Å; G74-K77 VanDerWaalsContact O-N 3.13Å
75A89.8Confident87.7Confident68 Ų6873.4 Ų73.456%0.56239%0.388SS*.G310 helixtrans-67.4-26176.700000112.7V71 T72 L73 K77V71-A75 HydrophobicContact CG1-CB 4.41Å; T72-A75 WeakPolarHBondContact O-CB 3.47Å; T72-A75 PolarHBondContact O-N 3Å; T72-A75 PolarHBondContact OG1-N 2.87Å; L73-A75 VanDerWaalsContact C-N 3.29Å; L73-A75 PolarHBondContact O-N 2.93Å; A75-K77 PolarHBondContact O-N 2.77Å
76L87.7Confident87.9Confident45 Ų4564.1 Ų64.124%0.23635%0.353CS..G310 helixtrans-78.5-4.7175.8-63.6176.6000113.4Y62 L67 V71 L73 G74 L78 M86Y62-L76 HydrophobicContact CD1-CD1 4.24Å; Y62-L76 HydrophobicContact CD1-CD2 4.4Å; L67-L76 HydrophobicContact CD1-CD1 3.73Å; L67-L76 HydrophobicContact CD2-CD1 3.88Å; L67-L76 HydrophobicContact CD2-CD2 3.74Å; L67-L76 HydrophobicContact CD2-CG 4.38Å; L67-L76 HydrophobicContact CG-CD1 4.48Å; V71-L76 HydrophobicContact CG1-CD2 4.1Å; V71-L76 HydrophobicContact CG1-CG 4.12Å; L73-L76 HydrophobicContact CD2-CD1 4.4Å; L73-L76 WeakPolarHBondContact O-CB 3.4Å; L73-L76 PolarHBondContact O-N 3.18Å; G74-L76 PolarHBondContact O-N 2.82Å; L76-L78 HydrophobicContact CB-CD1 4.33Å; L76-L78 HydrophobicContact CB-CD2 4.13Å; L76-L78 HydrophobicContact CB-CG 3.82Å; L76-L78 HydrophobicContact CD1-CD1 4.35Å; L76-L78 PolarHBondContact O-N 2.78Å; L76-M86 HydrophobicContact CD1-CE 3.77Å
77K84.2Confident88.1Confident189 Ų18962.5 Ų62.582%0.82235%0.346SS*.THydrogen-bonded Turntrans52.440.6-177.9-56.9-177.1179.8-1770112.3G74 A75G74-K77 PolarHBondContact O-N 3.42Å; G74-K77 VanDerWaalsContact O-N 3.13Å; A75-K77 PolarHBondContact O-N 2.77Å
78L85.3Confident88.1Confident8 Ų861.8 Ų61.84%0.04234%0.343CS..PPolyproline II helixtrans-69.1140.3178.4-60.7176.5000110.4I10 L12 Y62 L73 L76 F80 T84 M86I10-L78 HydrophobicContact CD1-CB 4.17Å; I10-L78 HydrophobicContact CG2-CB 4.38Å; I10-L78 HydrophobicContact CG2-CD1 4.09Å; L12-L78 HydrophobicContact CD2-CD1 4.29Å; Y62-L78 HydrophobicContact CE1-CD2 4.03Å; Y62-L78 HydrophobicContact CE2-CD2 4.19Å; Y62-L78 WeakPolarHBondContact OH-CD2 3.3Å; L73-L78 HydrophobicContact CB-CD1 4.36Å; L73-L78 HydrophobicContact CD2-CD1 3.94Å; L76-L78 HydrophobicContact CB-CD1 4.33Å; L76-L78 HydrophobicContact CB-CD2 4.13Å; L76-L78 HydrophobicContact CB-CG 3.82Å; L76-L78 HydrophobicContact CD1-CD1 4.35Å; L76-L78 PolarHBondContact O-N 2.78Å; L78-F80 PolarHBondContact O-N 3.41Å; L78-T84 HydrophobicContact CD1-CG2 3.99Å; L78-T84 HydrophobicContact CD2-CG2 3.77Å; L78-T84 HydrophobicContact CG-CG2 4.49Å; L78-M86 HydrophobicContact CD1-CE 3.74Å
79P82.1Confident88.2Confident61 Ų6156.4 Ų56.440%0.39632%0.319SS..PPolyproline II helixtrans-69.3125.9176.625.8-31.2000110.9K82P79-K82 HydrophobicContact CB-CB 4.37Å; P79-K82 HydrophobicContact CB-CD 3.91Å; P79-K82 HydrophobicContact CB-CG 4.15Å; P79-K82 HydrophobicContact CG-CB 4.01Å; P79-K82 HydrophobicContact CG-CD 3.72Å; P79-K82 HydrophobicContact CG-CG 4.16Å; P79-K82 PolarHBondContact O-N 3.42Å
80F84.2Confident88.1Confident116 Ų11658.5 Ų58.551%0.50934%0.335SS..THydrogen-bonded Turntrans-61.6148.6173.6-57.8-74.6000112.1A7 I10 P28 L78 K82A7-F80 WeakPolarHBondContact O-CB 3.2Å; I10-F80 HydrophobicContact CD1-CE1 4.45Å; I10-F80 HydrophobicContact CG1-CD1 4.11Å; I10-F80 HydrophobicContact CG1-CE1 4.47Å; P28-F80 HydrophobicContact CB-CE1 3.78Å; P28-F80 HydrophobicContact CB-CZ 4.25Å; P28-F80 HydrophobicContact CG-CE1 3.74Å; P28-F80 HydrophobicContact CG-CZ 4.34Å; L78-F80 PolarHBondContact O-N 3.41Å; F80-K82 PolarHBondContact O-N 3.17Å; F80-K82 VanDerWaalsContact O-N 3.17Å
81G81.6Confident87Confident36 Ų3657.1 Ų57.137%0.37132%0.32SS..THydrogen-bonded Turntrans70.44.518000000115M9M9-G81 PolarHBondContact O-N 2.81Å; M9-G81 VanDerWaalsContact O-N 3.15Å
82K84.7Confident85.5Confident133 Ų13361.7 Ų61.758%0.57834%0.338SS*.SBendtrans-108.6153.9174.6-65.9-163.3-178.9179.10111.8N11 P79 F80N11-K82 PolarHBondContact N-O 3.07Å; P79-K82 HydrophobicContact CB-CB 4.37Å; P79-K82 HydrophobicContact CB-CD 3.91Å; P79-K82 HydrophobicContact CB-CG 4.15Å; P79-K82 HydrophobicContact CG-CB 4.01Å; P79-K82 HydrophobicContact CG-CD 3.72Å; P79-K82 HydrophobicContact CG-CG 4.16Å; P79-K82 PolarHBondContact O-N 3.42Å; F80-K82 PolarHBondContact O-N 3.17Å; F80-K82 VanDerWaalsContact O-N 3.17Å
83T89Confident83.4Confident69 Ų6964.4 Ų64.442%0.42336%0.355SS..EExtended strand (participates in β ladder)trans-82.1119.8170.9-53.80000110.2N11 R13N11-T83 PolarHBondContact ND2-OG1 3.45Å; N11-T83 CarbonylContact O-C 3.58Å; N11-T83 VanDerWaalsContact O-CA 3.24Å; N11-T83 WeakPolarHBondContact O-CA 3.21Å; R13-T83 HydrophobicContact CB-CG2 3.76Å
84T91Very high81.4Confident10 Ų1070.2 Ų70.26%0.06139%0.386CS..EExtended strand (participates in β ladder)trans-104129.8173.3-59.90000109.3N11 L12 R13 Y62 L78 M86N11-T84 PolarHBondContact O-N 3.21Å; L12-T84 CarbonylContact C-O 3.49Å; L12-T84 WeakPolarHBondContact CA-O 3.07Å; L12-T84 HydrophobicContact CD2-CG2 4.22Å; R13-T84 PolarHBondContact N-O 3.27Å; Y62-T84 HydrophobicContact CD2-CG2 3.95Å; Y62-T84 HydrophobicContact CE2-CG2 3.38Å; L78-T84 HydrophobicContact CD1-CG2 3.99Å; L78-T84 HydrophobicContact CD2-CG2 3.77Å; L78-T84 HydrophobicContact CG-CG2 4.49Å; T84-M86 HydrophobicContact CG2-CE 4.04Å; T84-M86 HydrophobicContact CG2-CG 4.4Å
85V91.7Very high79.4Confident65 Ų6572.2 Ų72.239%0.39439%0.392SS..EExtended strand (participates in β ladder)trans-90.2128.5178.2-179.50000110.1R13 I15R13-V85 HydrophobicContact CB-CG2 4.31Å; R13-V85 WeakPolarHBondContact O-CA 3.33Å; I15-V85 HydrophobicContact CD1-CG1 3.35Å; I15-V85 HydrophobicContact CG1-CG1 3.87Å
86M92.9Very high77.3Confident0 Ų076 Ų760%040%0.398CS..EExtended strand (participates in β ladder)trans-132.1150.6173.2-62.9-172.417700109.7L12 R13 L14 I15 L60 I61 Y62 L67 L73 L76 L78 T84L12-M86 HydrophobicContact CD1-CE 4.49Å; L12-M86 HydrophobicContact CD1-SD 4.03Å; L12-M86 HydrophobicContact CD2-CE 3.86Å; L12-M86 HydrophobicContact CD2-SD 4.1Å; R13-M86 PolarHBondContact O-N 3.33Å; L14-M86 CarbonylContact C-O 3.52Å; L14-M86 VanDerWaalsContact CA-O 3.27Å; L14-M86 WeakPolarHBondContact CA-O 3.49Å; L14-M86 HydrophobicContact CD2-CB 3.93Å; I15-M86 PolarHBondContact N-O 3.13Å; L60-M86 HydrophobicContact CD2-SD 4.01Å; I61-M86 CarbonylContact O-C 3.58Å; I61-M86 WeakPolarHBondContact O-CA 3.2Å; Y62-M86 HydrophobicContact CD2-CE 3.98Å; Y62-M86 HydrophobicContact CD2-CG 3.91Å; Y62-M86 HydrophobicContact CG-CE 4.09Å; Y62-M86 HydrophobicContact CG-CG 4.45Å; L67-M86 HydrophobicContact CD1-CE 4.07Å; L67-M86 HydrophobicContact CD1-SD 3.92Å; L73-M86 HydrophobicContact CD2-CE 3.76Å; L73-M86 HydrophobicContact CD2-SD 4.48Å; L76-M86 HydrophobicContact CD1-CE 3.77Å; L78-M86 HydrophobicContact CD1-CE 3.74Å; T84-M86 HydrophobicContact CG2-CE 4.04Å; T84-M86 HydrophobicContact CG2-CG 4.4Å
87H91.6Very high75.4Confident83 Ų8379.5 Ų79.538%0.38442%0.423SS..EExtended strand (participates in β ladder)trans-96.3140.8171.3-56.564.8000109.5I15 L60 I61I15-H87 CarbonylContact O-C 3.51Å; I15-H87 VanDerWaalsContact O-CA 3.25Å; I15-H87 WeakPolarHBondContact O-CA 3.47Å; L60-H87 CarbonylContact C-O 3.24Å; L60-H87 WeakPolarHBondContact CA-O 3.33Å; I61-H87 HydrophobicContact CB-CB 4.12Å; I61-H87 PolarHBondContact N-O 2.85Å; I61-H87 PolarHBondContact O-N 3.35Å
88L90.5Very high73.5Confident3 Ų377.5 Ų77.52%0.01642%0.421CS..EExtended strand (participates in β ladder)trans-109.1124.3172.8-173.974.3000107.7I15 L16 V39 W43 W47 L58 L60I15-L88 PolarHBondContact O-N 3.32Å; L16-L88 HydrophobicContact CD1-CB 4.23Å; L16-L88 HydrophobicContact CD1-CD2 4.09Å; V39-L88 HydrophobicContact CG1-CD2 3.61Å; W43-L88 HydrophobicContact CH2-CD2 4.04Å; W43-L88 HydrophobicContact CZ3-CD2 3.89Å; W47-L88 HydrophobicContact CZ3-CD2 4.05Å; L58-L88 HydrophobicContact CB-CD1 4.09Å; L58-L88 HydrophobicContact CD2-CD1 4.33Å; L58-L88 HydrophobicContact CD2-CD2 4.27Å; L58-L88 HydrophobicContact CD2-CG 4.18Å; L60-L88 HydrophobicContact CD1-CD1 4.1Å; L60-L88 HydrophobicContact CG-CD1 4.36Å
89V87.4Confident71.7Confident19 Ų1980.2 Ų80.212%0.11544%0.441CS..EExtended strand (participates in β ladder)trans-126.1135.7176.6-55.90000110.2V17 L58 R59 I61 F66V17-V89 HydrophobicContact CG1-CB 4.44Å; V17-V89 HydrophobicContact CG1-CG1 3.77Å; L58-V89 WeakPolarHBondContact CA-O 3.46Å; R59-V89 HydrophobicContact CB-CG2 3.89Å; R59-V89 PolarHBondContact N-O 2.95Å; R59-V89 PolarHBondContact O-N 2.89Å; I61-V89 HydrophobicContact CD1-CG1 3.69Å; I61-V89 HydrophobicContact CD1-CG2 3.93Å; I61-V89 HydrophobicContact CG1-CG2 4.36Å; F66-V89 HydrophobicContact CE1-CG2 4.04Å
90A83.6Confident70.1Confident53 Ų5386.5 Ų86.544%0.43847%0.465SS..EExtended strand (participates in β ladder)trans-86.4115167.600000108.7V52 L58V52-A90 HydrophobicContact CG1-CB 3.24Å; L58-A90 HydrophobicContact CD2-CB 4.26Å
91R67.6Low68.3Low109 Ų10984 Ų8441%0.41147%0.473SS..  trans-129.998.1169.6-85.1-165.4164.7179.5-5.7109.2I57 T93I57-R91 PolarHBondContact O-N 2.73Å; R91-T93 PolarHBondContact O-N 3.42Å
92E58.8Low66.6Low140 Ų14091.7 Ų91.765%0.65450%0.499SS*.SBendtrans-62.3-34.9168.8-68.5-167.294.100111.3I57I57-E92 HydrophobicContact CB-CG 4.21Å; I57-E92 HydrophobicContact CD1-CB 4.48Å; I57-E92 HydrophobicContact CD1-CG 3.23Å; I57-E92 HydrophobicContact CG1-CG 4.3Å; I57-E92 HydrophobicContact CG2-CB 4.43Å; I57-E92 HydrophobicContact CG2-CG 4.03Å
93T48.6Very low65.2Low107 Ų10795.7 Ų95.766%0.65651%0.51SS*.SBendtrans-127.1125.1175.356.70000107.6R91R91-T93 PolarHBondContact O-N 3.42Å
94L47.6Very low63.3Low124 Ų12498.6 Ų98.665%0.64952%0.523SS*.PPolyproline II helixtrans-53.8133.5153.6-73.8164.7000105.1E96L94-E96 PolarHBondContact O-N 2.86Å
95P46.6Very low61.4Low79 Ų79106.5 Ų106.551%0.51355%0.552SS.*PPolyproline II helixtrans-51.4120.8160.623.5-30.5000104.9
96E47.2Very low59.3Low147 Ų147111.3 Ų111.369%0.68757%0.57SS**PPolyproline II helixtrans-47.6133.7-177.9-78.7-179.97000108.3L94 N98 S99L94-E96 PolarHBondContact O-N 2.86Å; E96-N98 PolarHBondContact O-N 3.03Å; E96-S99 PolarHBondContact OE1-OG 3.47Å
97P47.5Very low57.5Low118 Ų118119 Ų11977%0.76660%0.604SS**SBendtrans-63.189174.226.9-32.5000107.5S99P97-S99 PolarHBondContact O-N 2.89Å
98N44.8Very low55.5Low147 Ų147122.4 Ų122.479%0.78663%0.63SS**  trans25.871.7174.2-160.830.1000112.6E96 Q100E96-N98 PolarHBondContact O-N 3.03Å; N98-Q100 VanDerWaalsContact C-N 3.28Å; N98-Q100 PolarHBondContact O-N 2.91Å
99S46.5Very low53.8Low66 Ų66125.3 Ų125.346%0.46266%0.661SS.*  trans-59.498.1171.3-63.30000107.2E96 P97 G101E96-S99 PolarHBondContact OE1-OG 3.47Å; P97-S99 PolarHBondContact O-N 2.89Å; S99-G101 PolarHBondContact O-N 3Å; S99-G101 VanDerWaalsContact O-N 3.16Å
100Q49.9Very low52.2Low192 Ų192133.4 Ų133.490%0.89770%0.697SS**  trans-51.8119160.6-75-178.1-62.300107.3N98N98-Q100 VanDerWaalsContact C-N 3.28Å; N98-Q100 PolarHBondContact O-N 2.91Å
101G45Very low51.1Low64 Ų64135.6 Ų135.666%0.6671%0.71SS**  trans99.1125172.800000112.2S99S99-G101 PolarHBondContact O-N 3Å; S99-G101 VanDerWaalsContact O-N 3.16Å
102Q46.6Very low50.7Low197 Ų197137.3 Ų137.392%0.92173%0.727SS**  cis-136.5125.411.7-89.5162.6-75.600107.5N104Q102-N104 PolarHBondContact O-N 3.15Å
103R55.3Low50.7Low217 Ų217135.3 Ų135.382%0.81973%0.727SS**  trans-63.9106.9167-155.7177.1-167.2174.85.5106.8R105R103-R105 PolarHBondContact O-N 3.48Å
104N48.3Very low51.5Low131 Ų131135.4 Ų135.470%0.70173%0.731SS**  trans-54.2106.8162.4-173.921.7000107.4Q102Q102-N104 PolarHBondContact O-N 3.15Å
105R51.3Low51.6Low175 Ų175135.9 Ų135.966%0.6674%0.739SS**  trans-135.475.7170-163.3170.6175.9143.3-4.9107.6R103 K107R103-R105 PolarHBondContact O-N 3.48Å; R105-K107 VanDerWaalsContact C-N 3.29Å; R105-K107 HydrophobicContact CG-CB 4.4Å; R105-K107 PolarHBondContact O-N 3.17Å
106E48.6Very low52.2Low167 Ų167139.4 Ų139.478%0.7875%0.752SS**  trans-46.6102.3142-71.8172.378.200108
107K55.2Low52.6Low162 Ų162144 Ų14470%0.70478%0.78SS**  trans-165.797.8154-107.9-174.8-172.2-162.60107.9R105 G109R105-K107 VanDerWaalsContact C-N 3.29Å; R105-K107 HydrophobicContact CG-CB 4.4Å; R105-K107 PolarHBondContact O-N 3.17Å; K107-G109 PolarHBondContact O-N 3.4Å
108T48.6Very low52.8Low153 Ų153145.3 Ų145.394%0.93978%0.781SS**  trans-11.7122.6137.1-35.60000112.4
109G54.7Low53.2Low64 Ų64145.2 Ų145.266%0.6678%0.78SS**  trans159.985.2175.100000113.6K107K107-G109 PolarHBondContact O-N 3.4Å
110E54.4Low53.6Low189 Ų189149.6 Ų149.688%0.88380%0.798SS**  trans-4.1122.9146.2-65.7159.276.300116.7
111S60.4Low53.8Low100 Ų100147.1 Ų147.170%0.69979%0.792SS**  165.5120.8116.5-84.90000112.3
112N59.5Low54.4Low144 Ų144152.3 Ų152.377%0.7780%0.801SS**  40.3138.2125.4-65.2-60.6000118.5
113C58.9Low54.9Low98 Ų98149.3 Ų149.366%0.66279%0.793SS**  cis178.3150.8-1.6-112.10000105
114C64.5Low54.9Low110 Ų110144.5 Ų144.574%0.74379%0.791SS**  trans46.4108145.7-530000118.8
115V50Low55.4Low134 Ų134145.5 Ų145.581%0.81280%0.798SS**  34.3130.484.1-142.90000115.6
116I59.3Low55.7Low153 Ų153143.1 Ų143.179%0.78581%0.809SS**  trans102.597.8162-47.4157.2000115.8
117L54.5Low56.4Low243 Ų243140.9 Ų140.9100%1.27281%0.812SS**  -145.30114.4-135.7105.4000109.9

Retrieved 117 of 117 residues in 713.2 ms (Link to these results)

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