A0A3Q0KHL3_SCHMA Loading...

Hsp90 co-chaperone (Tebp), putative

AlphaFold DB , UniProt , Accession A0A3Q0KHL3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 193 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
1M38.3Very low67.9Low241 Ų241100.1 Ų100.1100%1.18761%0.611SS**  0128.10-71.3-166.217400106.9
2S45.9Very low70.2Confident110 Ų11095.3 Ų95.377%0.76959%0.585SS**  trans56.385.7-170-54.10000114.5D4S2-D4 PolarHBondContact O-N 2.67Å; S2-D4 VanDerWaalsContact O-N 3.13Å
3G48.8Very low72.2Confident71 Ų7188 Ų8873%0.73254%0.54SS*.  trans-65.7108.5159.100000107C5G3-C5 VanDerWaalsContact C-N 3.32Å; G3-C5 PolarHBondContact O-N 3.07Å
4D55.5Low73.9Confident143 Ų14384.3 Ų84.377%0.76552%0.515SS*.  trans-60.198.7172.4-69.3-52.8000107.9S2 Q6S2-D4 PolarHBondContact O-N 2.67Å; S2-D4 VanDerWaalsContact O-N 3.13Å; D4-Q6 PolarHBondContact O-N 2.82Å
5C50.4Low75.4Confident129 Ų12981.1 Ų81.187%0.87249%0.49SS*.  trans-67.475.4166.5-63.90000107.4G3 A7G3-C5 VanDerWaalsContact C-N 3.32Å; G3-C5 PolarHBondContact O-N 3.07Å; C5-A7 PolarHBondContact O-N 3.27Å
6Q64Low76.6Confident85 Ų8576.4 Ų76.440%0.39746%0.462SS..  trans-58.9109.2171.4-77.5179.8-37.600107.4D4 T8 K56D4-Q6 PolarHBondContact O-N 2.82Å; Q6-T8 PolarHBondContact O-N 3.46Å; Q6-K56 HydrophobicContact CB-CD 4.19Å
7A79.7Confident77.5Confident81 Ų8173.9 Ų73.967%0.66944%0.444SS*.  trans-59126.6176.700000109.1C5C5-A7 PolarHBondContact O-N 3.27Å
8T87.5Confident78.2Confident74 Ų7476.2 Ų76.245%0.45444%0.444SS..  trans-76.3131172.348.60000109.3Q6 K56 E58Q6-T8 PolarHBondContact O-N 3.46Å; T8-K56 WeakPolarHBondContact CA-O 3.49Å; T8-K56 HydrophobicContact CG2-CB 4.33Å; T8-E58 HydrophobicContact CG2-CB 4.41Å
9V91.7Very high78.8Confident64 Ų6477.7 Ų77.739%0.38845%0.45SS..BIsolated β-bridgetrans-105.8143.6-179.5-1770000109.9I55 K56 Y57 E58V9-I55 HydrophobicContact CB-CG2 4.28Å; V9-I55 HydrophobicContact CG2-CG2 3.91Å; V9-K56 PolarHBondContact N-O 2.85Å; V9-Y57 HydrophobicContact CB-CD1 4.22Å; V9-Y57 HydrophobicContact CB-CE1 4.17Å; V9-Y57 HydrophobicContact CG1-CD1 4.48Å; V9-Y57 HydrophobicContact CG1-CE1 4.14Å; V9-Y57 WeakPolarHBondContact O-CA 3.32Å; V9-E58 PolarHBondContact O-N 2.83Å
10H91.7Very high79.4Confident98 Ų9878.4 Ų78.445%0.45445%0.452SS..PPolyproline II helixtrans-85.8118.2169.7-66.1-58.2000110E58 W105H10-E58 PolarHBondContact ND1-O 2.91Å; H10-W105 HydrophobicContact CB-CB 4.39Å; H10-W105 HydrophobicContact CB-CD2 4.43Å; H10-W105 HydrophobicContact CB-CG 4.01Å
11P93.5Very high80Confident5 Ų574.8 Ų74.83%0.03243%0.431CS..PPolyproline II helixtrans-69.4165.2172.534.1-37.5000110.7V13 I26 I28 Y57 V59P11-V13 HydrophobicContact CG-CG2 4.33Å; P11-V13 PolarHBondContact O-N 3.29Å; P11-I26 HydrophobicContact CB-CG2 3.92Å; P11-I26 HydrophobicContact CG-CG2 3.52Å; P11-I28 HydrophobicContact CB-CD1 3.77Å; P11-I28 HydrophobicContact CB-CG1 3.53Å; P11-I28 HydrophobicContact CG-CD1 3.94Å; P11-I28 HydrophobicContact CG-CG1 4.25Å; P11-Y57 HydrophobicContact CB-CD1 3.77Å; P11-Y57 HydrophobicContact CB-CE1 4.22Å; P11-Y57 HydrophobicContact CG-CD1 4.2Å; P11-V59 HydrophobicContact CG-CG2 3.35Å
12S95.1Very high82.7Confident43 Ų4363.3 Ų63.330%0.30138%0.375SS..EExtended strand (participates in β ladder)trans-69.4126.1166.8-173.50000108.9V27S12-V27 PolarHBondContact O-N 2.72Å
13V96.5Very high85Confident0 Ų060.2 Ų60.20%035%0.347CS..EExtended strand (participates in β ladder)trans-114.1125.1178.4-176.30000108.1P11 I24 T25 I26 V59 W105 L106 K107P11-V13 HydrophobicContact CG-CG2 4.33Å; P11-V13 PolarHBondContact O-N 3.29Å; V13-I24 HydrophobicContact CG1-CG2 3.76Å; V13-T25 CarbonylContact C-O 3.58Å; V13-T25 WeakPolarHBondContact CA-O 2.66Å; V13-I26 HydrophobicContact CG2-CG1 4.43Å; V13-V59 HydrophobicContact CG2-CG1 4.1Å; V13-V59 HydrophobicContact CG2-CG2 3.94Å; V13-W105 HydrophobicContact CB-CE3 4.11Å; V13-W105 HydrophobicContact CB-CZ3 4.29Å; V13-W105 HydrophobicContact CG2-CE3 3.87Å; V13-W105 HydrophobicContact CG2-CZ3 4.07Å; V13-W105 PolarHBondContact N-O 2.7Å; V13-L106 HydrophobicContact CB-CD1 3.98Å; V13-L106 HydrophobicContact CG1-CD1 3.75Å; V13-L106 CarbonylContact O-C 3.55Å; V13-L106 WeakPolarHBondContact O-CA 3.39Å; V13-K107 PolarHBondContact O-N 2.8Å
14L96.3Very high87.3Confident36 Ų3656.9 Ų56.919%0.18831%0.312CS..EExtended strand (participates in β ladder)trans-103.5146.2170.4-43.3175.6000108.9T25 V27 K107 D109L14-T25 HydrophobicContact CD1-CG2 4.49Å; L14-T25 PolarHBondContact N-O 2.78Å; L14-T25 PolarHBondContact O-N 2.97Å; L14-V27 HydrophobicContact CD1-CG2 4.31Å; L14-V27 HydrophobicContact CG-CG2 4.28Å; L14-K107 CarbonylContact C-O 3.58Å; L14-K107 WeakPolarHBondContact CA-O 3.28Å; L14-K107 HydrophobicContact CD2-CB 3.8Å; L14-D109 HydrophobicContact CB-CB 3.61Å
15W95.8Very high89.2Confident37 Ų3750.1 Ų50.114%0.1428%0.276CS..EExtended strand (participates in β ladder)trans-137.1146174.677.1-76.7000112.2Q17 Y23 L96 L106 K107 T108 D109W15-Q17 HydrophobicContact CZ3-CB 4.37Å; W15-Q17 HydrophobicContact CZ3-CG 4.3Å; W15-Y23 CarbonylContact C-O 3.11Å; W15-Y23 VanDerWaalsContact CA-O 3.22Å; W15-Y23 WeakPolarHBondContact CA-O 3.24Å; W15-L96 HydrophobicContact CB-CD2 3.75Å; W15-L96 HydrophobicContact CD2-CB 3.75Å; W15-L96 HydrophobicContact CD2-CD1 4.4Å; W15-L96 HydrophobicContact CD2-CD2 4.29Å; W15-L96 HydrophobicContact CD2-CG 4.38Å; W15-L96 HydrophobicContact CE3-CB 3.92Å; W15-L96 HydrophobicContact CE3-CD1 4.03Å; W15-L96 HydrophobicContact CE3-CG 4.44Å; W15-L96 HydrophobicContact CG-CB 4.13Å; W15-L96 HydrophobicContact CG-CD2 3.83Å; W15-L96 HydrophobicContact CG-CG 4.43Å; W15-L96 HydrophobicContact CZ2-CB 4.38Å; W15-L96 HydrophobicContact CZ3-CB 4.3Å; W15-L106 HydrophobicContact CB-CD1 4.39Å; W15-L106 HydrophobicContact CG-CD1 4.27Å; W15-K107 PolarHBondContact N-O 2.89Å; W15-T108 CarbonylContact O-C 3.56Å; W15-T108 WeakPolarHBondContact O-CA 3.41Å; W15-D109 PolarHBondContact O-N 3.35Å
16A94.4Very high91.4Very high5 Ų544 Ų444%0.04123%0.234CC..EExtended strand (participates in β ladder)trans-139.8169.4168.900000108.6Y23 D109 R112A16-Y23 PolarHBondContact N-O 3.48Å; A16-Y23 PolarHBondContact O-N 2.79Å; A16-D109 HydrophobicContact CB-CB 4.04Å; A16-R112 HydrophobicContact CB-CB 3.74Å
17Q92.8Very high92.9Very high35 Ų3543 Ų4316%0.16423%0.234CC..EExtended strand (participates in β ladder)trans-141.3155.6177.966.4179.5-23.800111.2W15 C21 L22 W93W15-Q17 HydrophobicContact CZ3-CB 4.37Å; W15-Q17 HydrophobicContact CZ3-CG 4.3Å; Q17-C21 WeakPolarHBondContact CA-O 3.39Å; Q17-L22 HydrophobicContact CB-CD2 3.87Å; Q17-W93 PolarHBondContact NE2-O 2.81Å
18R90.2Very high93.5Very high114 Ų11439.4 Ų39.443%0.4320%0.203SC..  trans-117.2179.7158.1-71.2178.6-177-175-2.1108.3D20 C21 Y23 K87R18-D20 WeakPolarHBondContact CB-OD1 3.34Å; R18-D20 PolarHBondContact O-N 2.83Å; R18-C21 PolarHBondContact N-O 2.97Å; R18-Y23 HydrophobicContact CB-CE2 4.46Å; R18-Y23 HydrophobicContact CG-CE2 3.87Å; R18-K87 WeakPolarHBondContact O-CE 3.48Å; R18-K87 PolarHBondContact O-NZ 3.23Å
19N90Very high93.7Very high106 Ų10639.2 Ų39.257%0.56721%0.205SC*.SBendtrans-60.2-33178.9-69.7-0.4000112.2A90 G91N19-A90 CarbonylContact O-C 3.56Å; N19-A90 VanDerWaalsContact O-CA 3.27Å; N19-A90 WeakPolarHBondContact O-CA 3.34Å; N19-G91 PolarHBondContact O-N 3.22Å
20D90.7Very high93.6Very high90 Ų9040.9 Ų40.948%0.48121%0.212SC..SBendtrans-105.5-20.5-17369.2-38.1000114.5R18 K87R18-D20 WeakPolarHBondContact CB-OD1 3.34Å; R18-D20 PolarHBondContact O-N 2.83Å; D20-K87 PolarHBondContact O-N 2.91Å
21C91.9Very high93.6Very high4 Ų437.5 Ų37.53%0.02720%0.198CC..EExtended strand (participates in β ladder)trans-143.8158.4-172.560.60000114.4Q17 R18 Y23 I85Q17-C21 WeakPolarHBondContact CA-O 3.39Å; R18-C21 PolarHBondContact N-O 2.97Å; C21-Y23 WeakPolarHBondContact SG-CE2 3.29Å; C21-Y23 PolarHBondContact SG-OH 2.82Å; C21-I85 CarbonylContact C-O 3.54Å; C21-I85 VanDerWaalsContact CA-O 3.32Å; C21-I85 WeakPolarHBondContact CA-O 3.28Å
22L94.1Very high93.4Very high0 Ų040.9 Ų40.90%022%0.215CC..EExtended strand (participates in β ladder)trans-108.9135.1173.1-64.6171.8000108.8Q17 F63 V67 C84 I85 K87 W93 L96Q17-L22 HydrophobicContact CB-CD2 3.87Å; L22-F63 HydrophobicContact CD1-CD1 4.41Å; L22-F63 HydrophobicContact CD1-CE1 4.43Å; L22-V67 HydrophobicContact CD1-CG1 3.83Å; L22-C84 VanDerWaalsContact O-CA 3.32Å; L22-C84 WeakPolarHBondContact O-CA 3.43Å; L22-I85 PolarHBondContact N-O 2.79Å; L22-I85 PolarHBondContact O-N 2.84Å; L22-K87 HydrophobicContact CG-CG 4.06Å; L22-W93 HydrophobicContact CD1-CE3 4.07Å; L22-W93 HydrophobicContact CD1-CH2 3.7Å; L22-W93 HydrophobicContact CD1-CZ2 4.42Å; L22-W93 HydrophobicContact CD1-CZ3 3.5Å; L22-W93 VanDerWaalsContact CD1-CZ3 3.5Å; L22-W93 HydrophobicContact CD2-CD2 4.44Å; L22-W93 HydrophobicContact CD2-CE3 4.08Å; L22-W93 HydrophobicContact CD2-CZ3 4.36Å; L22-L96 HydrophobicContact CD1-CD1 4.18Å; L22-L96 HydrophobicContact CD2-CD1 4.2Å
23Y94.9Very high93.1Very high45 Ų4544.3 Ų44.318%0.17623%0.23CC..EExtended strand (participates in β ladder)trans-109.1125.2171.9-63.4-85.6000108.7W15 A16 R18 C21 C84W15-Y23 CarbonylContact C-O 3.11Å; W15-Y23 VanDerWaalsContact CA-O 3.22Å; W15-Y23 WeakPolarHBondContact CA-O 3.24Å; A16-Y23 PolarHBondContact N-O 3.48Å; A16-Y23 PolarHBondContact O-N 2.79Å; R18-Y23 HydrophobicContact CB-CE2 4.46Å; R18-Y23 HydrophobicContact CG-CE2 3.87Å; C21-Y23 WeakPolarHBondContact SG-CE2 3.29Å; C21-Y23 PolarHBondContact SG-OH 2.82Å; Y23-C84 HydrophobicContact CD1-CB 4.16Å; Y23-C84 HydrophobicContact CE1-CB 4.21Å
24I95.8Very high93Very high1 Ų149.3 Ų49.31%0.00525%0.252CS..EExtended strand (participates in β ladder)trans-124.9122178.8-58.9167.9000107.2V13 I26 L43 L61 F63 F82 I83 I85V13-I24 HydrophobicContact CG1-CG2 3.76Å; I24-I26 HydrophobicContact CG2-CG1 4.22Å; I24-L43 HydrophobicContact CD1-CD2 3.81Å; I24-L43 HydrophobicContact CG2-CD2 4.43Å; I24-L61 HydrophobicContact CD1-CD1 3.92Å; I24-L61 HydrophobicContact CG2-CD1 4.18Å; I24-F63 HydrophobicContact CD1-CE1 3.82Å; I24-F63 HydrophobicContact CD1-CZ 3.87Å; I24-F82 CarbonylContact O-C 3.59Å; I24-I83 HydrophobicContact CB-CB 4.29Å; I24-I83 PolarHBondContact N-O 3.39Å; I24-I83 PolarHBondContact O-N 3.06Å; I24-I85 HydrophobicContact CD1-CD1 3.88Å
25T96.3Very high92.8Very high1 Ų151.8 Ų51.81%0.00627%0.268CS..EExtended strand (participates in β ladder)trans-115.1114.7-178.6-58.30000108.3V13 L14 E80 V81 F82 D109 R112V13-T25 CarbonylContact C-O 3.58Å; V13-T25 WeakPolarHBondContact CA-O 2.66Å; L14-T25 HydrophobicContact CD1-CG2 4.49Å; L14-T25 PolarHBondContact N-O 2.78Å; L14-T25 PolarHBondContact O-N 2.97Å; T25-E80 HydrophobicContact CG2-CB 4.18Å; T25-E80 HydrophobicContact CG2-CG 4.4Å; T25-E80 WeakPolarHBondContact CG2-OE2 3.32Å; T25-V81 WeakPolarHBondContact CA-O 3.39Å; T25-F82 HydrophobicContact CG2-CD1 3.69Å; T25-F82 HydrophobicContact CG2-CE1 3.5Å; T25-F82 WeakPolarHBondContact OG1-CD1 3.5Å; T25-D109 PolarHBondContact OG1-OD2 3.45Å; T25-R112 PolarHBondContact OG1-NH1 3.5Å; T25-R112 VanDerWaalsContact OG1-NH1 3.14Å
26I96.1Very high92.8Very high0 Ų051.6 Ų51.60%027%0.271CS..EExtended strand (participates in β ladder)trans-101.7111.4179.6-57.7177.4000108P11 V13 I24 I28 F45 E80 V81 I83P11-I26 HydrophobicContact CB-CG2 3.92Å; P11-I26 HydrophobicContact CG-CG2 3.52Å; V13-I26 HydrophobicContact CG2-CG1 4.43Å; I24-I26 HydrophobicContact CG2-CG1 4.22Å; I26-I28 HydrophobicContact CG2-CD1 3.57Å; I26-I28 HydrophobicContact CG2-CG1 3.88Å; I26-I28 PolarHBondContact O-N 2.77Å; I26-I28 VanDerWaalsContact O-N 3.11Å; I26-F45 HydrophobicContact CD1-CB 3.83Å; I26-F45 HydrophobicContact CD1-CD1 3.6Å; I26-F45 HydrophobicContact CD1-CD2 3.47Å; I26-F45 VanDerWaalsContact CD1-CD2 3.47Å; I26-F45 HydrophobicContact CD1-CE1 3.98Å; I26-F45 HydrophobicContact CD1-CE2 3.88Å; I26-F45 HydrophobicContact CD1-CG 3.33Å; I26-F45 HydrophobicContact CD1-CZ 4.11Å; I26-F45 HydrophobicContact CG2-CD1 4.36Å; I26-F45 HydrophobicContact CG2-CE1 3.94Å; I26-F45 HydrophobicContact CG2-CZ 4.28Å; I26-E80 CarbonylContact O-C 3.58Å; I26-E80 WeakPolarHBondContact O-CA 3.4Å; I26-E80 WeakPolarHBondContact O-CB 3.35Å; I26-V81 HydrophobicContact CB-CB 4.39Å; I26-V81 PolarHBondContact N-O 3.39Å; I26-V81 PolarHBondContact O-N 2.85Å; I26-I83 HydrophobicContact CD1-CD1 3.81Å
27V95Very high92.7Very high64 Ų6454.9 Ų54.939%0.38829%0.288SS..EExtended strand (participates in β ladder)trans-82.593.5-175.1-173.10000109.4S12 L14S12-V27 PolarHBondContact O-N 2.72Å; L14-V27 HydrophobicContact CD1-CG2 4.31Å; L14-V27 HydrophobicContact CG-CG2 4.28Å
28I93.4Very high92.8Very high5 Ų554 Ų543%0.02629%0.285CS..  trans-140119.3176.2-62.5169.6000107.8P11 I26 V31 F45 A49 Y57 R79 E80P11-I28 HydrophobicContact CB-CD1 3.77Å; P11-I28 HydrophobicContact CB-CG1 3.53Å; P11-I28 HydrophobicContact CG-CD1 3.94Å; P11-I28 HydrophobicContact CG-CG1 4.25Å; I26-I28 HydrophobicContact CG2-CD1 3.57Å; I26-I28 HydrophobicContact CG2-CG1 3.88Å; I26-I28 PolarHBondContact O-N 2.77Å; I26-I28 VanDerWaalsContact O-N 3.11Å; I28-V31 HydrophobicContact CG2-CB 4.32Å; I28-V31 HydrophobicContact CG2-CG2 4.43Å; I28-F45 HydrophobicContact CD1-CE1 3.72Å; I28-F45 HydrophobicContact CD1-CZ 4.19Å; I28-A49 HydrophobicContact CG2-CB 3.5Å; I28-Y57 HydrophobicContact CD1-CD1 4.04Å; I28-Y57 HydrophobicContact CD1-CD2 4.03Å; I28-Y57 HydrophobicContact CD1-CG 3.63Å; I28-Y57 HydrophobicContact CG1-CD1 4.25Å; I28-Y57 HydrophobicContact CG1-CD2 4.44Å; I28-Y57 HydrophobicContact CG1-CE1 4.48Å; I28-Y57 HydrophobicContact CG1-CG 4.2Å; I28-Y57 HydrophobicContact CG2-CD2 4.23Å; I28-Y57 HydrophobicContact CG2-CE2 4.18Å; I28-R79 CarbonylContact C-O 3.5Å; I28-R79 PolarHBondContact N-O 2.86Å; I28-R79 CarbonylContact O-C 3.6Å; I28-R79 VanDerWaalsContact O-O 3.06Å; I28-E80 PolarHBondContact O-N 3.24Å
29S92.2Very high93Very high71 Ų7152.8 Ų52.850%0.49728%0.283SS..THydrogen-bonded Turntrans-78.1143.9173.5-56.30000111.6V31 A49 G78S29-V31 PolarHBondContact O-N 3.03Å; S29-A49 WeakPolarHBondContact O-CB 3.36Å; S29-G78 CarbonylContact C-O 3.58Å; S29-G78 WeakPolarHBondContact CA-O 3.1Å
30D89.1Confident93.2Very high98 Ų9852.2 Ų52.252%0.52428%0.277SS..THydrogen-bonded Turntrans52.450.7175.1-62-38.5000113.5I32 G78D30-I32 PolarHBondContact O-N 2.8Å; D30-G78 PolarHBondContact N-O 2.77Å
31V90.9Very high93.3Very high27 Ų2754 Ų5416%0.16428%0.281CS..EExtended strand (participates in β ladder)trans-65129.2-179.674.40000112I28 S29 K34 A47 A76 V81I28-V31 HydrophobicContact CG2-CB 4.32Å; I28-V31 HydrophobicContact CG2-CG2 4.43Å; S29-V31 PolarHBondContact O-N 3.03Å; V31-K34 HydrophobicContact CG2-CB 4.29Å; V31-A47 HydrophobicContact CG2-CB 3.39Å; V31-A76 HydrophobicContact CG1-CB 4.19Å; V31-V81 HydrophobicContact CB-CG2 4.3Å; V31-V81 HydrophobicContact CG1-CG2 3.83Å; V31-V81 HydrophobicContact CG2-CG2 4.24Å
32I89.8Confident93.4Very high77 Ų7754.5 Ų54.540%0.39528%0.284SS..EExtended strand (participates in β ladder)trans-123.4157.8172.460.8171.3000109.6D30 K34 E48D30-I32 PolarHBondContact O-N 2.8Å; I32-K34 VanDerWaalsContact C-N 3.3Å; I32-K34 PolarHBondContact O-N 2.84Å; I32-E48 HydrophobicContact CD1-CB 4.21Å; I32-E48 HydrophobicContact CG1-CB 3.73Å; I32-E48 VanDerWaalsContact CG1-O 3.28Å; I32-E48 WeakPolarHBondContact CG1-O 3.18Å; I32-E48 PolarHBondContact N-O 3.36Å; I32-E48 PolarHBondContact O-N 3.18Å; I32-E48 VanDerWaalsContact O-O 3.05Å
33N89.8Confident93.5Very high115 Ų11554.5 Ų54.562%0.61528%0.284SS*.EExtended strand (participates in β ladder)trans52.240.1176.5-59.5-30.3000114.9T35 E48N33-T35 PolarHBondContact O-N 2.84Å; N33-E48 PolarHBondContact ND2-OE2 2.83Å
34K92.5Very high93.5Very high105 Ų10554.6 Ų54.646%0.45729%0.286SS..EExtended strand (participates in β ladder)trans-68132.3-179.668.8174.4-177-78.60112.1V31 I32 R46 A47 A76V31-K34 HydrophobicContact CG2-CB 4.29Å; I32-K34 VanDerWaalsContact C-N 3.3Å; I32-K34 PolarHBondContact O-N 2.84Å; K34-R46 CarbonylContact C-O 3.45Å; K34-R46 WeakPolarHBondContact CA-O 3.1Å; K34-A47 HydrophobicContact CB-CB 4.41Å; K34-A76 HydrophobicContact CD-CB 4.12Å
35T94Very high93.5Very high87 Ų8754.5 Ų54.553%0.53429%0.286SS..EExtended strand (participates in β ladder)trans-130.4125.4172.2-570000108.3N33 F45 R46N33-T35 PolarHBondContact O-N 2.84Å; T35-F45 WeakPolarHBondContact O-CA 3.27Å; T35-R46 PolarHBondContact N-O 3.45Å; T35-R46 PolarHBondContact O-N 3Å
36V93.9Very high93.4Very high33 Ų3361.1 Ų61.120%0.231%0.31CS..EExtended strand (participates in β ladder)trans-125.3120.1179.5-169.10000107.9L43 F45 I74 I83V36-L43 HydrophobicContact CG1-CD1 3.63Å; V36-F45 HydrophobicContact CG2-CD2 3.75Å; V36-F45 HydrophobicContact CG2-CE2 4.13Å; V36-I74 HydrophobicContact CB-CD1 3.55Å; V36-I74 HydrophobicContact CB-CG1 4.42Å; V36-I74 HydrophobicContact CG1-CD1 3.8Å; V36-I74 HydrophobicContact CG1-CG1 4.31Å; V36-I74 HydrophobicContact CG2-CD1 3.77Å; V36-I74 HydrophobicContact CG2-CG1 4.34Å; V36-I74 HydrophobicContact CG2-CG2 4.19Å; V36-I83 HydrophobicContact CG1-CD1 3.88Å; V36-I83 HydrophobicContact CG2-CD1 4.49Å
37N94.1Very high93.3Very high75 Ų7561.4 Ų61.440%0.40131%0.313SS..EExtended strand (participates in β ladder)trans-121.2114.6178.1-170.25.5000109.3E44N37-E44 HydrophobicContact CB-CB 4.34Å; N37-E44 PolarHBondContact N-O 2.86Å; N37-E44 PolarHBondContact O-N 2.78Å
38V94.2Very high93.2Very high17 Ų1760.4 Ų60.410%0.10330%0.304CS..EExtended strand (participates in β ladder)trans-102.3121.3176.9176.70000108.7L43 V67 P72 I85V38-L43 HydrophobicContact CG2-CD1 3.37Å; V38-V67 HydrophobicContact CG1-CG2 3.98Å; V38-P72 HydrophobicContact CB-CG 4.28Å; V38-P72 HydrophobicContact CG2-CB 3.96Å; V38-P72 HydrophobicContact CG2-CG 3.6Å; V38-I85 HydrophobicContact CG1-CD1 4.44Å; V38-I85 HydrophobicContact CG1-CG2 4.16Å; V38-I85 HydrophobicContact CG2-CD1 3.95Å; V38-I85 HydrophobicContact CG2-CG1 4.47Å
39K93.9Very high93.1Very high88 Ų8860.5 Ų60.538%0.38331%0.305SS..EExtended strand (participates in β ladder)trans-107.3167.1169.1-56.9174.7-177.2160.30108.6K41 S42 E44 V67K39-K41 PolarHBondContact O-N 2.78Å; K39-S42 WeakPolarHBondContact CA-O 3.38Å; K39-S42 WeakPolarHBondContact CD-OG 3.45Å; K39-S42 PolarHBondContact N-O 2.87Å; K39-S42 PolarHBondContact O-N 2.83Å; K39-E44 IonicContact NZ-OE1 2.72Å; K39-E44 PolarHBondContact NZ-OE1 3.26Å; K39-E44 IonicContact NZ-OE2 3.54Å; K39-V67 WeakPolarHBondContact O-CG2 3.47Å
40E93.8Very high92.9Very high93 Ų9358.7 Ų58.744%0.43530%0.298SS..THydrogen-bonded Turntrans-52.9-34.1-176.4-175.2171.1-15200114.1D66 V67 K88E40-D66 HydrophobicContact CG-CB 4.23Å; E40-D66 CarbonylContact O-C 3.54Å; E40-D66 WeakPolarHBondContact O-CA 3.46Å; E40-V67 WeakPolarHBondContact O-CG2 3.42Å; E40-V67 PolarHBondContact O-N 2.88Å; E40-K88 IonicContact OE1-NZ 3.76Å; E40-K88 PolarHBondContact OE1-NZ 2.75Å
41K94.1Very high92.5Very high129 Ų12963 Ų6356%0.56131%0.312SS*.THydrogen-bonded Turntrans-126.810.5179.3-71-172.4175.2-179.70114.3K39 D62 F63 D66K39-K41 PolarHBondContact O-N 2.78Å; K41-D62 CarbonylContact O-C 3.56Å; K41-F63 PolarHBondContact O-N 3.16Å; K41-D66 WeakPolarHBondContact CE-OD1 3.29Å; K41-D66 VanDerWaalsContact CG-OD1 3.24Å; K41-D66 WeakPolarHBondContact CG-OD1 3.42Å; K41-D66 IonicContact NZ-OD1 2.67Å
42S94.5Very high92.2Very high14 Ų1469.3 Ų69.310%0.09835%0.345CS..EExtended strand (participates in β ladder)trans-153.7145.6-177.966.30000113.6K39 L61K39-S42 WeakPolarHBondContact CA-O 3.38Å; K39-S42 WeakPolarHBondContact CD-OG 3.45Å; K39-S42 PolarHBondContact N-O 2.87Å; K39-S42 PolarHBondContact O-N 2.83Å; S42-L61 CarbonylContact C-O 3.47Å; S42-L61 WeakPolarHBondContact CA-O 3.48Å; S42-L61 WeakPolarHBondContact CB-O 3.41Å
43L94.8Very high92Very high0 Ų074.1 Ų74.10%036%0.363CS..EExtended strand (participates in β ladder)trans-111.6129.6170174.780.2000109.5I24 V36 V38 K60 L61 F63 I83 I85I24-L43 HydrophobicContact CD1-CD2 3.81Å; I24-L43 HydrophobicContact CG2-CD2 4.43Å; V36-L43 HydrophobicContact CG1-CD1 3.63Å; V38-L43 HydrophobicContact CG2-CD1 3.37Å; L43-K60 WeakPolarHBondContact O-CA 3.46Å; L43-L61 HydrophobicContact CB-CB 4.31Å; L43-L61 HydrophobicContact CD2-CD1 3.81Å; L43-L61 HydrophobicContact CD2-CG 4.47Å; L43-L61 PolarHBondContact N-O 3.02Å; L43-L61 PolarHBondContact O-N 3.48Å; L43-F63 HydrophobicContact CB-CE1 4.43Å; L43-F63 HydrophobicContact CB-CE2 3.8Å; L43-F63 HydrophobicContact CB-CZ 3.49Å; L43-F63 VanDerWaalsContact CB-CZ 3.49Å; L43-I83 HydrophobicContact CD1-CD1 4.47Å; L43-I83 HydrophobicContact CD2-CD1 4.06Å; L43-I85 HydrophobicContact CD1-CD1 4.2Å
44E95.2Very high91.9Very high46 Ų4670.8 Ų70.822%0.21535%0.347CS..EExtended strand (participates in β ladder)trans-113.8119.5168.9-69.9167.9-163.100108.6N37 K39 K60N37-E44 HydrophobicContact CB-CB 4.34Å; N37-E44 PolarHBondContact N-O 2.86Å; N37-E44 PolarHBondContact O-N 2.78Å; K39-E44 IonicContact NZ-OE1 2.72Å; K39-E44 PolarHBondContact NZ-OE1 3.26Å; K39-E44 IonicContact NZ-OE2 3.54Å; E44-K60 HydrophobicContact CG-CG 4.26Å
45F95.3Very high91.8Very high0 Ų069.5 Ų69.50%035%0.345CS..EExtended strand (participates in β ladder)trans-118.7131.2176172.1-86000109.4I26 I28 T35 V36 A47 E58 V59 V81 I83I26-F45 HydrophobicContact CD1-CB 3.83Å; I26-F45 HydrophobicContact CD1-CD1 3.6Å; I26-F45 HydrophobicContact CD1-CD2 3.47Å; I26-F45 VanDerWaalsContact CD1-CD2 3.47Å; I26-F45 HydrophobicContact CD1-CE1 3.98Å; I26-F45 HydrophobicContact CD1-CE2 3.88Å; I26-F45 HydrophobicContact CD1-CG 3.33Å; I26-F45 HydrophobicContact CD1-CZ 4.11Å; I26-F45 HydrophobicContact CG2-CD1 4.36Å; I26-F45 HydrophobicContact CG2-CE1 3.94Å; I26-F45 HydrophobicContact CG2-CZ 4.28Å; I28-F45 HydrophobicContact CD1-CE1 3.72Å; I28-F45 HydrophobicContact CD1-CZ 4.19Å; T35-F45 WeakPolarHBondContact O-CA 3.27Å; V36-F45 HydrophobicContact CG2-CD2 3.75Å; V36-F45 HydrophobicContact CG2-CE2 4.13Å; F45-A47 HydrophobicContact CE1-CB 3.62Å; F45-A47 HydrophobicContact CE2-CB 4.5Å; F45-A47 HydrophobicContact CZ-CB 3.53Å; F45-E58 CarbonylContact O-C 3.57Å; F45-E58 WeakPolarHBondContact O-CA 3.36Å; F45-V59 HydrophobicContact CB-CB 4.22Å; F45-V59 HydrophobicContact CD1-CG2 4.4Å; F45-V59 PolarHBondContact N-O 2.84Å; F45-V59 PolarHBondContact O-N 2.78Å; F45-V81 HydrophobicContact CE2-CB 4.3Å; F45-V81 HydrophobicContact CE2-CG1 4.1Å; F45-V81 HydrophobicContact CE2-CG2 4.32Å; F45-V81 HydrophobicContact CZ-CG2 4.23Å; F45-I83 HydrophobicContact CD2-CD1 4.16Å
46R94.7Very high91.8Very high139 Ų13969 Ų6953%0.52534%0.335SS..EExtended strand (participates in β ladder)trans-131.3137.2173-67.8179.8179.3173.9-0.5109.6K34 T35 Y57 E58K34-R46 CarbonylContact C-O 3.45Å; K34-R46 WeakPolarHBondContact CA-O 3.1Å; T35-R46 PolarHBondContact N-O 3.45Å; T35-R46 PolarHBondContact O-N 3Å; R46-Y57 WeakPolarHBondContact CA-O 3.38Å; R46-E58 HydrophobicContact CG-CG 4.09Å; R46-E58 IonicContact CZ-OE1 3.24Å; R46-E58 VanDerWaalsContact CZ-OE1 3.24Å; R46-E58 IonicContact NE-OE1 2.84Å; R46-E58 PolarHBondContact NE-OE1 2.95Å; R46-E58 IonicContact NH2-OE1 2.8Å; R46-E58 PolarHBondContact NH2-OE1 3.5Å
47A94Very high91.8Very high6 Ų669.6 Ų69.65%0.0533%0.334CS..EExtended strand (participates in β ladder)trans-154.8167.2172.900000111.3V31 K34 F45 Y57V31-A47 HydrophobicContact CG2-CB 3.39Å; K34-A47 HydrophobicContact CB-CB 4.41Å; F45-A47 HydrophobicContact CE1-CB 3.62Å; F45-A47 HydrophobicContact CE2-CB 4.5Å; F45-A47 HydrophobicContact CZ-CB 3.53Å; A47-Y57 PolarHBondContact N-O 2.9Å; A47-Y57 PolarHBondContact O-N 3Å
48E93.3Very high91.8Very high44 Ų4468.7 Ų68.721%0.20633%0.327CS..EExtended strand (participates in β ladder)trans-117.5151.1170-74.6172.2174.200108.8I32 N33 P54 I55 K56I32-E48 HydrophobicContact CD1-CB 4.21Å; I32-E48 HydrophobicContact CG1-CB 3.73Å; I32-E48 VanDerWaalsContact CG1-O 3.28Å; I32-E48 WeakPolarHBondContact CG1-O 3.18Å; I32-E48 PolarHBondContact N-O 3.36Å; I32-E48 PolarHBondContact O-N 3.18Å; I32-E48 VanDerWaalsContact O-O 3.05Å; N33-E48 PolarHBondContact ND2-OE2 2.83Å; E48-P54 HydrophobicContact CB-CB 4.29Å; E48-I55 CarbonylContact C-O 3.54Å; E48-I55 VanDerWaalsContact CA-O 3.28Å; E48-I55 WeakPolarHBondContact CA-O 3.21Å; E48-K56 HydrophobicContact CG-CG 3.76Å; E48-K56 WeakPolarHBondContact OE1-CE 3.47Å
49A91.9Very high91.8Very high6 Ų667.9 Ų67.95%0.0532%0.322CS..EExtended strand (participates in β ladder)trans-144.8151.2172.400000112I28 S29 P54 I55 Y57I28-A49 HydrophobicContact CG2-CB 3.5Å; S29-A49 WeakPolarHBondContact O-CB 3.36Å; A49-P54 CarbonylContact O-C 3.19Å; A49-P54 WeakPolarHBondContact O-CA 3.4Å; A49-I55 PolarHBondContact N-O 2.87Å; A49-I55 PolarHBondContact O-N 3.22Å; A49-Y57 HydrophobicContact CB-CD2 4.23Å; A49-Y57 HydrophobicContact CB-CE2 3.75Å
50G86.1Confident91.8Very high33 Ų3369.1 Ų69.134%0.3433%0.328SS..  trans101.4146.1-176.100000113
51K82.7Confident91.8Very high190 Ų19064.7 Ų64.783%0.82631%0.307SS*.SBendtrans-86.1-48.8-175.3-63.9179.9-176.7176.50113
52D84.2Confident91.9Very high158 Ų15861.4 Ų61.485%0.84530%0.296SS*.SBendtrans-89.7-34.6-172.8-56.9-43.2000113
53K85Confident91.9Very high178 Ų17860.9 Ų60.977%0.77429%0.292SS*.SBendtrans-135.891.8179.5-69.5-178.8-177.8176.90108.7I55K53-I55 PolarHBondContact O-N 2.84Å
54P87.2Confident91.9Very high45 Ų4565.9 Ų65.929%0.29231%0.311SS..PPolyproline II helixtrans-64.3120.5-178.724.6-32.3000110E48 A49E48-P54 HydrophobicContact CB-CB 4.29Å; A49-P54 CarbonylContact O-C 3.19Å; A49-P54 WeakPolarHBondContact O-CA 3.4Å
55I91Very high91.8Very high78 Ų7864.5 Ų64.540%0.431%0.309SS..EExtended strand (participates in β ladder)trans-87128.7171.1-59.5172.9000107.3V9 E48 A49 K53 Y57V9-I55 HydrophobicContact CB-CG2 4.28Å; V9-I55 HydrophobicContact CG2-CG2 3.91Å; E48-I55 CarbonylContact C-O 3.54Å; E48-I55 VanDerWaalsContact CA-O 3.28Å; E48-I55 WeakPolarHBondContact CA-O 3.21Å; A49-I55 PolarHBondContact N-O 2.87Å; A49-I55 PolarHBondContact O-N 3.22Å; K53-I55 PolarHBondContact O-N 2.84Å; I55-Y57 HydrophobicContact CB-CE2 3.81Å; I55-Y57 HydrophobicContact CG2-CD2 4.28Å; I55-Y57 HydrophobicContact CG2-CE1 4.4Å; I55-Y57 HydrophobicContact CG2-CE2 3.69Å; I55-Y57 WeakPolarHBondContact O-CD2 3.46Å
56K93.4Very high91.8Very high76 Ų7667 Ų6733%0.3332%0.322SS..EExtended strand (participates in β ladder)trans-84.2125.7175.3-75.7173.7174.1161.20110.1Q6 T8 V9 E48Q6-K56 HydrophobicContact CB-CD 4.19Å; T8-K56 WeakPolarHBondContact CA-O 3.49Å; T8-K56 HydrophobicContact CG2-CB 4.33Å; V9-K56 PolarHBondContact N-O 2.85Å; E48-K56 HydrophobicContact CG-CG 3.76Å; E48-K56 WeakPolarHBondContact OE1-CE 3.47Å
57Y94.6Very high91.8Very high47 Ų4760.4 Ų60.418%0.18430%0.298CS..EExtended strand (participates in β ladder)trans-108.6134.4174.4-67.1-87.4000110.1V9 P11 I28 R46 A47 A49 I55V9-Y57 HydrophobicContact CB-CD1 4.22Å; V9-Y57 HydrophobicContact CB-CE1 4.17Å; V9-Y57 HydrophobicContact CG1-CD1 4.48Å; V9-Y57 HydrophobicContact CG1-CE1 4.14Å; V9-Y57 WeakPolarHBondContact O-CA 3.32Å; P11-Y57 HydrophobicContact CB-CD1 3.77Å; P11-Y57 HydrophobicContact CB-CE1 4.22Å; P11-Y57 HydrophobicContact CG-CD1 4.2Å; I28-Y57 HydrophobicContact CD1-CD1 4.04Å; I28-Y57 HydrophobicContact CD1-CD2 4.03Å; I28-Y57 HydrophobicContact CD1-CG 3.63Å; I28-Y57 HydrophobicContact CG1-CD1 4.25Å; I28-Y57 HydrophobicContact CG1-CD2 4.44Å; I28-Y57 HydrophobicContact CG1-CE1 4.48Å; I28-Y57 HydrophobicContact CG1-CG 4.2Å; I28-Y57 HydrophobicContact CG2-CD2 4.23Å; I28-Y57 HydrophobicContact CG2-CE2 4.18Å; R46-Y57 WeakPolarHBondContact CA-O 3.38Å; A47-Y57 PolarHBondContact N-O 2.9Å; A47-Y57 PolarHBondContact O-N 3Å; A49-Y57 HydrophobicContact CB-CD2 4.23Å; A49-Y57 HydrophobicContact CB-CE2 3.75Å; I55-Y57 HydrophobicContact CB-CE2 3.81Å; I55-Y57 HydrophobicContact CG2-CD2 4.28Å; I55-Y57 HydrophobicContact CG2-CE1 4.4Å; I55-Y57 HydrophobicContact CG2-CE2 3.69Å; I55-Y57 WeakPolarHBondContact O-CD2 3.46Å
58E94.3Very high91.6Very high55 Ų5561.9 Ų61.926%0.25731%0.308SS..EExtended strand (participates in β ladder)trans-135.1134.2173.6-174.9165-152.600109.8T8 V9 H10 F45 R46T8-E58 HydrophobicContact CG2-CB 4.41Å; V9-E58 PolarHBondContact O-N 2.83Å; H10-E58 PolarHBondContact ND1-O 2.91Å; F45-E58 CarbonylContact O-C 3.57Å; F45-E58 WeakPolarHBondContact O-CA 3.36Å; R46-E58 HydrophobicContact CG-CG 4.09Å; R46-E58 IonicContact CZ-OE1 3.24Å; R46-E58 VanDerWaalsContact CZ-OE1 3.24Å; R46-E58 IonicContact NE-OE1 2.84Å; R46-E58 PolarHBondContact NE-OE1 2.95Å; R46-E58 IonicContact NH2-OE1 2.8Å; R46-E58 PolarHBondContact NH2-OE1 3.5Å
59V94.2Very high91.5Very high0 Ų063.7 Ų63.70%032%0.322CS..EExtended strand (participates in β ladder)trans-131.2129174178.40000107.9P11 V13 F45 L61 W105P11-V59 HydrophobicContact CG-CG2 3.35Å; V13-V59 HydrophobicContact CG2-CG1 4.1Å; V13-V59 HydrophobicContact CG2-CG2 3.94Å; F45-V59 HydrophobicContact CB-CB 4.22Å; F45-V59 HydrophobicContact CD1-CG2 4.4Å; F45-V59 PolarHBondContact N-O 2.84Å; F45-V59 PolarHBondContact O-N 2.78Å; V59-L61 HydrophobicContact CG1-CD1 4.41Å; V59-L61 HydrophobicContact CG1-CD2 3.68Å; V59-L61 HydrophobicContact CG1-CG 3.8Å; V59-W105 HydrophobicContact CG1-CZ3 4.24Å
60K93.9Very high91.2Very high114 Ų11471.1 Ų71.150%0.49636%0.355SS..EExtended strand (participates in β ladder)trans-121.6120.4169.5-172.9178.5177.7-175.10108.6L43 E44L43-K60 WeakPolarHBondContact O-CA 3.46Å; E44-K60 HydrophobicContact CG-CG 4.26Å
61L94.5Very high90.8Very high0 Ų078.2 Ų78.20%038%0.38CS..EExtended strand (participates in β ladder)trans-115.2120.4176-51.3177000108.2I24 S42 L43 V59 F63 L96 L97 W105I24-L61 HydrophobicContact CD1-CD1 3.92Å; I24-L61 HydrophobicContact CG2-CD1 4.18Å; S42-L61 CarbonylContact C-O 3.47Å; S42-L61 WeakPolarHBondContact CA-O 3.48Å; S42-L61 WeakPolarHBondContact CB-O 3.41Å; L43-L61 HydrophobicContact CB-CB 4.31Å; L43-L61 HydrophobicContact CD2-CD1 3.81Å; L43-L61 HydrophobicContact CD2-CG 4.47Å; L43-L61 PolarHBondContact N-O 3.02Å; L43-L61 PolarHBondContact O-N 3.48Å; V59-L61 HydrophobicContact CG1-CD1 4.41Å; V59-L61 HydrophobicContact CG1-CD2 3.68Å; V59-L61 HydrophobicContact CG1-CG 3.8Å; L61-F63 HydrophobicContact CB-CE1 4.13Å; L61-F63 HydrophobicContact CD1-CE1 4.29Å; L61-L96 HydrophobicContact CD1-CD2 4.03Å; L61-L97 HydrophobicContact CB-CD2 3.79Å; L61-L97 HydrophobicContact CD2-CD2 3.89Å; L61-L97 HydrophobicContact CG-CD2 4.41Å; L61-W105 HydrophobicContact CD2-CH2 3.53Å; L61-W105 HydrophobicContact CD2-CZ3 3.56Å
62D95Very high91.2Very high60 Ų6070.6 Ų70.632%0.32135%0.35SS..EExtended strand (participates in β ladder)trans-96.1109.8168.9-61.7-52.1000107.8K41 L97 S98K41-D62 CarbonylContact O-C 3.56Å; D62-L97 CarbonylContact O-C 3.56Å; D62-L97 WeakPolarHBondContact O-CA 3.11Å; D62-S98 PolarHBondContact O-N 2.78Å; D62-S98 PolarHBondContact O-OG 3.11Å
63F95.6Very high91.7Very high4 Ų470.5 Ų70.52%0.01834%0.342CS..BIsolated β-bridgetrans-70.2153.3-170-67.8-50.1000113.8L22 I24 K41 L43 L61 G65 V67 I85 W93 L96 S98L22-F63 HydrophobicContact CD1-CD1 4.41Å; L22-F63 HydrophobicContact CD1-CE1 4.43Å; I24-F63 HydrophobicContact CD1-CE1 3.82Å; I24-F63 HydrophobicContact CD1-CZ 3.87Å; K41-F63 PolarHBondContact O-N 3.16Å; L43-F63 HydrophobicContact CB-CE1 4.43Å; L43-F63 HydrophobicContact CB-CE2 3.8Å; L43-F63 HydrophobicContact CB-CZ 3.49Å; L43-F63 VanDerWaalsContact CB-CZ 3.49Å; L61-F63 HydrophobicContact CB-CE1 4.13Å; L61-F63 HydrophobicContact CD1-CE1 4.29Å; F63-G65 WeakPolarHBondContact CB-O 3.32Å; F63-V67 HydrophobicContact CD2-CB 4.49Å; F63-V67 HydrophobicContact CD2-CG1 3.83Å; F63-V67 HydrophobicContact CD2-CG2 3.78Å; F63-V67 HydrophobicContact CE2-CG1 4.16Å; F63-V67 HydrophobicContact CE2-CG2 3.84Å; F63-V67 HydrophobicContact CG-CG1 4.27Å; F63-I85 HydrophobicContact CE2-CD1 4.1Å; F63-I85 HydrophobicContact CZ-CD1 3.69Å; F63-W93 HydrophobicContact CB-CH2 3.89Å; F63-W93 HydrophobicContact CB-CZ3 3.81Å; F63-W93 HydrophobicContact CD1-CZ3 4.21Å; F63-W93 HydrophobicContact CG-CH2 4.41Å; F63-W93 HydrophobicContact CG-CZ3 4.25Å; F63-L96 CarbonylContact C-O 3.59Å; F63-L96 WeakPolarHBondContact CA-O 3.22Å; F63-L96 HydrophobicContact CD1-CD1 4.01Å; F63-L96 HydrophobicContact CD1-CG 4.3Å; F63-L96 HydrophobicContact CE1-CD1 4Å; F63-L96 HydrophobicContact CE1-CG 4.39Å; F63-S98 WeakPolarHBondContact O-CB 3.37Å
64Y94.3Very high92.1Very high105 Ų10565 Ų6541%0.41232%0.32SS..SBendtrans-64.4-39175.4175.7-105.8000112.9W93 P94 R95 L96Y64-W93 HydrophobicContact CD1-CB 4.2Å; Y64-W93 HydrophobicContact CD1-CD2 4.05Å; Y64-W93 HydrophobicContact CD1-CE3 4.49Å; Y64-W93 AromaticContact CD1-CG 3.92Å; Y64-W93 HydrophobicContact CD1-CG 3.92Å; Y64-P94 HydrophobicContact CE1-CG 4.29Å; Y64-P94 HydrophobicContact CE2-CG 4.47Å; Y64-R95 VanDerWaalsContact CB-O 3.29Å; Y64-R95 WeakPolarHBondContact CB-O 3.45Å; Y64-R95 HydrophobicContact CD2-CG 4.04Å; Y64-R95 VanDerWaalsContact CE2-CZ 3.43Å; Y64-R95 HydrophobicContact CG-CG 4.4Å; Y64-L96 PolarHBondContact N-O 2.97Å
65G93.2Very high92.3Very high17 Ų1767 Ų6718%0.17533%0.332CS..SBendtrans-134.2-172.7178.100000112.7F63 W93F63-G65 WeakPolarHBondContact CB-O 3.32Å; G65-W93 VanDerWaalsContact N-CH2 3.32Å; G65-W93 VanDerWaalsContact O-CH2 3.29Å; G65-W93 WeakPolarHBondContact O-CH2 3.37Å
66D94.2Very high92.3Very high51 Ų5165.3 Ų65.327%0.27333%0.329SS..  trans-78.9137.4-178.8-65.7-14.7000111.5E40 K41 K88E40-D66 HydrophobicContact CG-CB 4.23Å; E40-D66 CarbonylContact O-C 3.54Å; E40-D66 WeakPolarHBondContact O-CA 3.46Å; K41-D66 WeakPolarHBondContact CE-OD1 3.29Å; K41-D66 VanDerWaalsContact CG-OD1 3.24Å; K41-D66 WeakPolarHBondContact CG-OD1 3.42Å; K41-D66 IonicContact NZ-OD1 2.67Å; D66-K88 HydrophobicContact CB-CB 3.77Å; D66-K88 HydrophobicContact CB-CD 3.59Å; D66-K88 HydrophobicContact CB-CG 4.34Å; D66-K88 WeakPolarHBondContact O-CB 3.42Å; D66-K88 PolarHBondContact O-N 3.11Å; D66-K88 IonicContact OD2-NZ 3.9Å
67V94.3Very high92.1Very high2 Ų264.2 Ų64.21%0.01233%0.331CS..BIsolated β-bridgetrans-115.2152.3173.7-60.30000110.9L22 V38 K39 E40 F63 I85 W93L22-V67 HydrophobicContact CD1-CG1 3.83Å; V38-V67 HydrophobicContact CG1-CG2 3.98Å; K39-V67 WeakPolarHBondContact O-CG2 3.47Å; E40-V67 WeakPolarHBondContact O-CG2 3.42Å; E40-V67 PolarHBondContact O-N 2.88Å; F63-V67 HydrophobicContact CD2-CB 4.49Å; F63-V67 HydrophobicContact CD2-CG1 3.83Å; F63-V67 HydrophobicContact CD2-CG2 3.78Å; F63-V67 HydrophobicContact CE2-CG1 4.16Å; F63-V67 HydrophobicContact CE2-CG2 3.84Å; F63-V67 HydrophobicContact CG-CG1 4.27Å; V67-I85 HydrophobicContact CB-CG2 3.7Å; V67-I85 HydrophobicContact CG1-CG2 4.18Å; V67-I85 HydrophobicContact CG2-CG2 3.96Å; V67-W93 HydrophobicContact CG1-CH2 3.82Å; V67-W93 HydrophobicContact CG1-CZ2 4.45Å
68C91.6Very high91.9Very high37 Ų3764.1 Ų64.125%0.2535%0.345CS..  trans-73.3129.8172.6-166.40000109.7E70 K86C68-E70 VanDerWaalsContact C-N 3.32Å; C68-K86 HydrophobicContact CB-CB 4.06Å; C68-K86 PolarHBondContact N-O 2.93Å
69T90.8Very high91.8Very high81 Ų8170.7 Ų70.750%0.49737%0.367SS..  trans-85.9-3177.754.20000113.2E71T69-E71 PolarHBondContact O-N 2.81Å
70E84.8Confident91.8Very high163 Ų16373 Ų7376%0.76238%0.378SS*.SBendtrans-67.2106.8177.2-64.8-169.8164.700109.8C68C68-E70 VanDerWaalsContact C-N 3.32Å
71E78.9Confident91.8Very high182 Ų18267.5 Ų67.585%0.8535%0.354SS*.  trans18.790.1177.2-65.5-170.7164.900115.1T69 K73T69-E71 PolarHBondContact O-N 2.81Å; E71-K73 PolarHBondContact O-N 2.9Å
72P90.3Very high91.9Very high30 Ų3069.5 Ų69.520%0.19536%0.362CS..  trans-57.2140.7175.429.5-39.7000110.3V38 I74 I83 I85V38-P72 HydrophobicContact CB-CG 4.28Å; V38-P72 HydrophobicContact CG2-CB 3.96Å; V38-P72 HydrophobicContact CG2-CG 3.6Å; P72-I74 HydrophobicContact CB-CG1 4.41Å; P72-I74 HydrophobicContact CG-CD1 3.94Å; P72-I74 HydrophobicContact CG-CG1 4.22Å; P72-I74 PolarHBondContact O-N 2.86Å; P72-I83 HydrophobicContact CB-CG2 4.22Å; P72-I85 HydrophobicContact CB-CG1 4.18Å
73K93.6Very high91.9Very high155 Ų15566.7 Ų66.767%0.67435%0.347SS*.EExtended strand (participates in β ladder)trans-75111.5174.6-67.1-179.4-180-179.50108.5E71 I83 C84E71-K73 PolarHBondContact O-N 2.9Å; K73-I83 CarbonylContact O-C 3.57Å; K73-I83 WeakPolarHBondContact O-CA 3.04Å; K73-C84 HydrophobicContact CB-CB 4.18Å; K73-C84 PolarHBondContact N-O 2.78Å; K73-C84 PolarHBondContact O-N 2.81Å
74I93.7Very high91.8Very high63 Ų6367.9 Ų67.932%0.32336%0.356SS..EExtended strand (participates in β ladder)trans-113.6118.6-179-58.7154.7000109.2V36 P72 V81 F82 I83V36-I74 HydrophobicContact CB-CD1 3.55Å; V36-I74 HydrophobicContact CB-CG1 4.42Å; V36-I74 HydrophobicContact CG1-CD1 3.8Å; V36-I74 HydrophobicContact CG1-CG1 4.31Å; V36-I74 HydrophobicContact CG2-CD1 3.77Å; V36-I74 HydrophobicContact CG2-CG1 4.34Å; V36-I74 HydrophobicContact CG2-CG2 4.19Å; P72-I74 HydrophobicContact CB-CG1 4.41Å; P72-I74 HydrophobicContact CG-CD1 3.94Å; P72-I74 HydrophobicContact CG-CG1 4.22Å; P72-I74 PolarHBondContact O-N 2.86Å; I74-V81 HydrophobicContact CG2-CG1 3.93Å; I74-F82 CarbonylContact C-O 3.43Å; I74-F82 WeakPolarHBondContact CA-O 3.22Å; I74-I83 HydrophobicContact CG1-CG1 4.4Å; I74-I83 HydrophobicContact CG1-CG2 4.22Å; I74-I83 HydrophobicContact CG2-CG1 4.49Å
75T92.9Very high91.8Very high87 Ų8763 Ų6353%0.53434%0.337SS..EExtended strand (participates in β ladder)trans-119.6116.2176.6-56.30000108.9F82T75-F82 HydrophobicContact CG2-CD2 4.47Å; T75-F82 PolarHBondContact N-O 2.9Å; T75-F82 PolarHBondContact O-N 3.29Å
76A91.1Very high91.9Very high42 Ų4268.6 Ų68.635%0.34736%0.357SS..EExtended strand (participates in β ladder)trans-94.6118.9173.300000109.6V31 K34 V81V31-A76 HydrophobicContact CG1-CB 4.19Å; K34-A76 HydrophobicContact CD-CB 4.12Å; A76-V81 HydrophobicContact CB-CG2 4.25Å
77S88.9Confident91.8Very high54 Ų5467 Ų6738%0.37835%0.347SS..  trans-91.3168.1164.8-176.60000109.4R79 E80S77-R79 PolarHBondContact O-N 3.13Å; S77-E80 WeakPolarHBondContact CA-O 3.45Å; S77-E80 WeakPolarHBondContact CB-O 3.21Å; S77-E80 PolarHBondContact N-O 2.77Å
78G89.2Confident91.8Very high45 Ų4572.9 Ų72.946%0.46437%0.373SS..SBendtrans-66.3-13.7175.600000114.1S29 D30S29-G78 CarbonylContact C-O 3.58Å; S29-G78 WeakPolarHBondContact CA-O 3.1Å; D30-G78 PolarHBondContact N-O 2.77Å
79R92Very high91.8Very high192 Ų19278.8 Ų78.873%0.72540%0.396SS*.SBendtrans-116.1-18-176.9-64.2-178.8-179.3166.6-0114.2I28 S77I28-R79 CarbonylContact C-O 3.5Å; I28-R79 PolarHBondContact N-O 2.86Å; I28-R79 CarbonylContact O-C 3.6Å; I28-R79 VanDerWaalsContact O-O 3.06Å; S77-R79 PolarHBondContact O-N 3.13Å
80E94.5Very high91.6Very high48 Ų4878.7 Ų78.722%0.22440%0.404CS..  trans-163.7156.6-170.360.7-162.2150.700112T25 I26 I28 S77 F82T25-E80 HydrophobicContact CG2-CB 4.18Å; T25-E80 HydrophobicContact CG2-CG 4.4Å; T25-E80 WeakPolarHBondContact CG2-OE2 3.32Å; I26-E80 CarbonylContact O-C 3.58Å; I26-E80 WeakPolarHBondContact O-CA 3.4Å; I26-E80 WeakPolarHBondContact O-CB 3.35Å; I28-E80 PolarHBondContact O-N 3.24Å; S77-E80 WeakPolarHBondContact CA-O 3.45Å; S77-E80 WeakPolarHBondContact CB-O 3.21Å; S77-E80 PolarHBondContact N-O 2.77Å; E80-F82 HydrophobicContact CG-CD1 4.35Å; E80-F82 HydrophobicContact CG-CD2 4.48Å; E80-F82 HydrophobicContact CG-CE1 3.6Å; E80-F82 HydrophobicContact CG-CE2 3.81Å; E80-F82 HydrophobicContact CG-CZ 3.38Å; E80-F82 WeakPolarHBondContact OE1-CZ 3.47Å; E80-F82 WeakPolarHBondContact OE2-CE1 3.42Å
81V94.9Very high91.8Very high0 Ų072.3 Ų72.30%038%0.382CS..EExtended strand (participates in β ladder)trans-111.9120.5173.1-176.40000109.1T25 I26 V31 F45 I74 A76 I83T25-V81 WeakPolarHBondContact CA-O 3.39Å; I26-V81 HydrophobicContact CB-CB 4.39Å; I26-V81 PolarHBondContact N-O 3.39Å; I26-V81 PolarHBondContact O-N 2.85Å; V31-V81 HydrophobicContact CB-CG2 4.3Å; V31-V81 HydrophobicContact CG1-CG2 3.83Å; V31-V81 HydrophobicContact CG2-CG2 4.24Å; F45-V81 HydrophobicContact CE2-CB 4.3Å; F45-V81 HydrophobicContact CE2-CG1 4.1Å; F45-V81 HydrophobicContact CE2-CG2 4.32Å; F45-V81 HydrophobicContact CZ-CG2 4.23Å; I74-V81 HydrophobicContact CG2-CG1 3.93Å; A76-V81 HydrophobicContact CB-CG2 4.25Å; V81-I83 HydrophobicContact CG1-CG1 4.23Å
82F95.2Very high92.3Very high41 Ų4166.8 Ų66.818%0.1836%0.363CS..EExtended strand (participates in β ladder)trans-94.7133.3174.2-54.2-62.5000110.3I24 T25 I74 T75 E80 R112I24-F82 CarbonylContact O-C 3.59Å; T25-F82 HydrophobicContact CG2-CD1 3.69Å; T25-F82 HydrophobicContact CG2-CE1 3.5Å; T25-F82 WeakPolarHBondContact OG1-CD1 3.5Å; I74-F82 CarbonylContact C-O 3.43Å; I74-F82 WeakPolarHBondContact CA-O 3.22Å; T75-F82 HydrophobicContact CG2-CD2 4.47Å; T75-F82 PolarHBondContact N-O 2.9Å; T75-F82 PolarHBondContact O-N 3.29Å; E80-F82 HydrophobicContact CG-CD1 4.35Å; E80-F82 HydrophobicContact CG-CD2 4.48Å; E80-F82 HydrophobicContact CG-CE1 3.6Å; E80-F82 HydrophobicContact CG-CE2 3.81Å; E80-F82 HydrophobicContact CG-CZ 3.38Å; E80-F82 WeakPolarHBondContact OE1-CZ 3.47Å; E80-F82 WeakPolarHBondContact OE2-CE1 3.42Å; F82-R112 VanDerWaalsContact CD1-CZ 3.43Å
83I95.1Very high92.4Very high1 Ų166.2 Ų66.21%0.00536%0.357CS..EExtended strand (participates in β ladder)trans-128.6120.8177.1-51.7172000106.8I24 I26 V36 L43 F45 P72 K73 I74 V81 I85I24-I83 HydrophobicContact CB-CB 4.29Å; I24-I83 PolarHBondContact N-O 3.39Å; I24-I83 PolarHBondContact O-N 3.06Å; I26-I83 HydrophobicContact CD1-CD1 3.81Å; V36-I83 HydrophobicContact CG1-CD1 3.88Å; V36-I83 HydrophobicContact CG2-CD1 4.49Å; L43-I83 HydrophobicContact CD1-CD1 4.47Å; L43-I83 HydrophobicContact CD2-CD1 4.06Å; F45-I83 HydrophobicContact CD2-CD1 4.16Å; P72-I83 HydrophobicContact CB-CG2 4.22Å; K73-I83 CarbonylContact O-C 3.57Å; K73-I83 WeakPolarHBondContact O-CA 3.04Å; I74-I83 HydrophobicContact CG1-CG1 4.4Å; I74-I83 HydrophobicContact CG1-CG2 4.22Å; I74-I83 HydrophobicContact CG2-CG1 4.49Å; V81-I83 HydrophobicContact CG1-CG1 4.23Å; I83-I85 HydrophobicContact CG2-CD1 4.06Å; I83-I85 HydrophobicContact CG2-CG1 3.75Å
84C94.5Very high92.2Very high30 Ų3063.6 Ų63.620%0.20336%0.356CS..EExtended strand (participates in β ladder)trans-111.6120.1173.5179.60000109.2L22 Y23 K73L22-C84 VanDerWaalsContact O-CA 3.32Å; L22-C84 WeakPolarHBondContact O-CA 3.43Å; Y23-C84 HydrophobicContact CD1-CB 4.16Å; Y23-C84 HydrophobicContact CE1-CB 4.21Å; K73-C84 HydrophobicContact CB-CB 4.18Å; K73-C84 PolarHBondContact N-O 2.78Å; K73-C84 PolarHBondContact O-N 2.81Å
85I94.8Very high92.1Very high1 Ų164.1 Ų64.11%0.00535%0.354CS..EExtended strand (participates in β ladder)trans-120.2129.7-176.1-47.2177.7000108.3C21 L22 I24 V38 L43 F63 V67 P72 I83C21-I85 CarbonylContact C-O 3.54Å; C21-I85 VanDerWaalsContact CA-O 3.32Å; C21-I85 WeakPolarHBondContact CA-O 3.28Å; L22-I85 PolarHBondContact N-O 2.79Å; L22-I85 PolarHBondContact O-N 2.84Å; I24-I85 HydrophobicContact CD1-CD1 3.88Å; V38-I85 HydrophobicContact CG1-CD1 4.44Å; V38-I85 HydrophobicContact CG1-CG2 4.16Å; V38-I85 HydrophobicContact CG2-CD1 3.95Å; V38-I85 HydrophobicContact CG2-CG1 4.47Å; L43-I85 HydrophobicContact CD1-CD1 4.2Å; F63-I85 HydrophobicContact CE2-CD1 4.1Å; F63-I85 HydrophobicContact CZ-CD1 3.69Å; V67-I85 HydrophobicContact CB-CG2 3.7Å; V67-I85 HydrophobicContact CG1-CG2 4.18Å; V67-I85 HydrophobicContact CG2-CG2 3.96Å; P72-I85 HydrophobicContact CB-CG1 4.18Å; I83-I85 HydrophobicContact CG2-CD1 4.06Å; I83-I85 HydrophobicContact CG2-CG1 3.75Å
86K93.8Very high92.1Very high136 Ų13660.1 Ų60.159%0.59133%0.329SS*.EExtended strand (participates in β ladder)trans-75.1138.2174.9-69.1-178178.71770110.4C68C68-K86 HydrophobicContact CB-CB 4.06Å; C68-K86 PolarHBondContact N-O 2.93Å
87K93.9Very high92.3Very high16 Ų1658.8 Ų58.87%0.0732%0.316CS..BIsolated β-bridgetrans-74.5146.8171.7-63.2174.5177.1174.80109.2R18 D20 L22 E89 G91 W93R18-K87 WeakPolarHBondContact O-CE 3.48Å; R18-K87 PolarHBondContact O-NZ 3.23Å; D20-K87 PolarHBondContact O-N 2.91Å; L22-K87 HydrophobicContact CG-CG 4.06Å; K87-E89 WeakPolarHBondContact CB-O 3.49Å; K87-G91 PolarHBondContact NZ-O 3.18Å; K87-W93 HydrophobicContact CG-CZ2 4.38Å
88K92.9Very high92.4Very high126 Ų12658.7 Ų58.755%0.54832%0.316SS..SBendtrans-76-39.3174.4-167.2178.4-175.6-175.70111.2E40 D66E40-K88 IonicContact OE1-NZ 3.76Å; E40-K88 PolarHBondContact OE1-NZ 2.75Å; D66-K88 HydrophobicContact CB-CB 3.77Å; D66-K88 HydrophobicContact CB-CD 3.59Å; D66-K88 HydrophobicContact CB-CG 4.34Å; D66-K88 WeakPolarHBondContact O-CB 3.42Å; D66-K88 PolarHBondContact O-N 3.11Å; D66-K88 IonicContact OD2-NZ 3.9Å
89E91.5Very high92.5Very high161 Ų16162.1 Ų62.175%0.75232%0.319SS*.SBendtrans-112.9123.2173.2-173.7176.1-171.300108.9K87 G91K87-E89 WeakPolarHBondContact CB-O 3.49Å; E89-G91 PolarHBondContact O-N 3.1Å
90A88Confident92.3Very high80 Ų8061.7 Ų61.766%0.66132%0.323SS*.  trans-67.8131.9177.300000109.7N19N19-A90 CarbonylContact O-C 3.56Å; N19-A90 VanDerWaalsContact O-CA 3.27Å; N19-A90 WeakPolarHBondContact O-CA 3.34Å
91G88.4Confident92Very high28 Ų2864.1 Ų64.129%0.28934%0.341SS..SBendtrans164.1159-178.100000113.3N19 K87 E89N19-G91 PolarHBondContact O-N 3.22Å; K87-G91 PolarHBondContact NZ-O 3.18Å; E89-G91 PolarHBondContact O-N 3.1Å
92S89.6Confident91.6Very high66 Ų6673.6 Ų73.646%0.46238%0.382SS..  trans-81.2122.5178.7-162.40000110E116S92-E116 WeakPolarHBondContact CB-OE1 3.36Å; S92-E116 PolarHBondContact OG-OE1 2.78Å
93W91.8Very high91.3Very high19 Ų1972.9 Ų72.97%0.07238%0.382CS..  trans-92.3128.2178.8-69.69.6000110.3Q17 L22 F63 Y64 G65 V67 K87 R95Q17-W93 PolarHBondContact NE2-O 2.81Å; L22-W93 HydrophobicContact CD1-CE3 4.07Å; L22-W93 HydrophobicContact CD1-CH2 3.7Å; L22-W93 HydrophobicContact CD1-CZ2 4.42Å; L22-W93 HydrophobicContact CD1-CZ3 3.5Å; L22-W93 VanDerWaalsContact CD1-CZ3 3.5Å; L22-W93 HydrophobicContact CD2-CD2 4.44Å; L22-W93 HydrophobicContact CD2-CE3 4.08Å; L22-W93 HydrophobicContact CD2-CZ3 4.36Å; F63-W93 HydrophobicContact CB-CH2 3.89Å; F63-W93 HydrophobicContact CB-CZ3 3.81Å; F63-W93 HydrophobicContact CD1-CZ3 4.21Å; F63-W93 HydrophobicContact CG-CH2 4.41Å; F63-W93 HydrophobicContact CG-CZ3 4.25Å; Y64-W93 HydrophobicContact CD1-CB 4.2Å; Y64-W93 HydrophobicContact CD1-CD2 4.05Å; Y64-W93 HydrophobicContact CD1-CE3 4.49Å; Y64-W93 AromaticContact CD1-CG 3.92Å; Y64-W93 HydrophobicContact CD1-CG 3.92Å; G65-W93 VanDerWaalsContact N-CH2 3.32Å; G65-W93 VanDerWaalsContact O-CH2 3.29Å; G65-W93 WeakPolarHBondContact O-CH2 3.37Å; V67-W93 HydrophobicContact CG1-CH2 3.82Å; V67-W93 HydrophobicContact CG1-CZ2 4.45Å; K87-W93 HydrophobicContact CG-CZ2 4.38Å; W93-R95 PolarHBondContact O-N 3.14Å
94P90.1Very high91.2Very high99 Ų9978.3 Ų78.364%0.64342%0.417SS*.SBendtrans-69.9-18178.628.4-35.1000113Y64Y64-P94 HydrophobicContact CE1-CG 4.29Å; Y64-P94 HydrophobicContact CE2-CG 4.47Å
95R91.5Very high91.1Very high74 Ų7479.4 Ų79.428%0.27942%0.417SS..  trans-154.9154177.259.7-179.1-169.6-74.9-0.5110Y64 W93 L97 S98 Q99Y64-R95 VanDerWaalsContact CB-O 3.29Å; Y64-R95 WeakPolarHBondContact CB-O 3.45Å; Y64-R95 HydrophobicContact CD2-CG 4.04Å; Y64-R95 VanDerWaalsContact CE2-CZ 3.43Å; Y64-R95 HydrophobicContact CG-CG 4.4Å; W93-R95 PolarHBondContact O-N 3.14Å; R95-L97 WeakPolarHBondContact CD-O 3.49Å; R95-L97 WeakPolarHBondContact CG-O 3.4Å; R95-L97 PolarHBondContact NE-O 2.75Å; R95-S98 PolarHBondContact NE-O 2.94Å; R95-S98 PolarHBondContact NH2-O 2.88Å; R95-Q99 PolarHBondContact NE-O 2.94Å
96L93.1Very high91.1Very high3 Ų380.8 Ų80.82%0.01643%0.425CS..SBendtrans-71.4-42175-174.165.9000112.4W15 L22 L61 F63 Y64 L106W15-L96 HydrophobicContact CB-CD2 3.75Å; W15-L96 HydrophobicContact CD2-CB 3.75Å; W15-L96 HydrophobicContact CD2-CD1 4.4Å; W15-L96 HydrophobicContact CD2-CD2 4.29Å; W15-L96 HydrophobicContact CD2-CG 4.38Å; W15-L96 HydrophobicContact CE3-CB 3.92Å; W15-L96 HydrophobicContact CE3-CD1 4.03Å; W15-L96 HydrophobicContact CE3-CG 4.44Å; W15-L96 HydrophobicContact CG-CB 4.13Å; W15-L96 HydrophobicContact CG-CD2 3.83Å; W15-L96 HydrophobicContact CG-CG 4.43Å; W15-L96 HydrophobicContact CZ2-CB 4.38Å; W15-L96 HydrophobicContact CZ3-CB 4.3Å; L22-L96 HydrophobicContact CD1-CD1 4.18Å; L22-L96 HydrophobicContact CD2-CD1 4.2Å; L61-L96 HydrophobicContact CD1-CD2 4.03Å; F63-L96 CarbonylContact C-O 3.59Å; F63-L96 WeakPolarHBondContact CA-O 3.22Å; F63-L96 HydrophobicContact CD1-CD1 4.01Å; F63-L96 HydrophobicContact CD1-CG 4.3Å; F63-L96 HydrophobicContact CE1-CD1 4Å; F63-L96 HydrophobicContact CE1-CG 4.39Å; Y64-L96 PolarHBondContact N-O 2.97Å; L96-L106 HydrophobicContact CB-CD2 4.32Å; L96-L106 HydrophobicContact CD2-CD1 3.85Å; L96-L106 HydrophobicContact CD2-CD2 4.08Å
97L94.3Very high91.1Very high15 Ų1580 Ų808%0.07942%0.421CS..BIsolated β-bridgetrans-94.7147.9-170.6-59.4-179.8000112.4L61 D62 R95 Q99 C103 L106L61-L97 HydrophobicContact CB-CD2 3.79Å; L61-L97 HydrophobicContact CD2-CD2 3.89Å; L61-L97 HydrophobicContact CG-CD2 4.41Å; D62-L97 CarbonylContact O-C 3.56Å; D62-L97 WeakPolarHBondContact O-CA 3.11Å; R95-L97 WeakPolarHBondContact CD-O 3.49Å; R95-L97 WeakPolarHBondContact CG-O 3.4Å; R95-L97 PolarHBondContact NE-O 2.75Å; L97-Q99 VanDerWaalsContact C-N 3.26Å; L97-Q99 PolarHBondContact O-N 2.9Å; L97-C103 VanDerWaalsContact CD1-SG 3.55Å; L97-L106 HydrophobicContact CD1-CD2 3.81Å; L97-L106 HydrophobicContact CG-CD2 3.87Å
98S92.4Very high91.1Very high52 Ų5281.9 Ų81.936%0.36443%0.434SS..SBendtrans-60-38.1172.259.20000111.8D62 F63 R95D62-S98 PolarHBondContact O-N 2.78Å; D62-S98 PolarHBondContact O-OG 3.11Å; F63-S98 WeakPolarHBondContact O-CB 3.37Å; R95-S98 PolarHBondContact NE-O 2.94Å; R95-S98 PolarHBondContact NH2-O 2.88Å
99Q90.5Very high91.2Very high116 Ų11676 Ų7654%0.54241%0.408SS..SBendtrans-72.8147.3178.4-62-173.7-24.600111.9R95 L97 T101R95-Q99 PolarHBondContact NE-O 2.94Å; L97-Q99 VanDerWaalsContact C-N 3.26Å; L97-Q99 PolarHBondContact O-N 2.9Å; Q99-T101 VanDerWaalsContact C-N 3.31Å
100K88Confident91.1Very high184 Ų18475.3 Ų75.380%0.840%0.403SS*.  trans-83.7-8.8173.9-66.7-175.9178.9-177.80113K102K100-K102 PolarHBondContact O-N 3.17Å
101T87.7Confident91.1Very high98 Ų9878.6 Ų78.660%0.60141%0.41SS*.SBendtrans-68.1126.7-179.3-51.40000110.2Q99 C103Q99-T101 VanDerWaalsContact C-N 3.31Å; T101-C103 PolarHBondContact O-N 2.83Å
102K85.6Confident90.9Very high200 Ų20080.5 Ų80.587%0.8741%0.408SS*.PPolyproline II helixtrans-71.3121.1174.3-68.1-173.1177.6-177.80109.5K100K100-K102 PolarHBondContact O-N 3.17Å
103C90.1Very high90.4Very high25 Ų2584.4 Ų84.417%0.16941%0.413CS..PPolyproline II helixtrans-88.6120.3172.6-62.30000109.2L97 T101 W105 L106L97-C103 VanDerWaalsContact CD1-SG 3.55Å; T101-C103 PolarHBondContact O-N 2.83Å; C103-W105 HydrophobicContact CB-CD2 4.06Å; C103-W105 HydrophobicContact CB-CH2 4.25Å; C103-W105 HydrophobicContact CB-CZ2 3.8Å; C103-W105 PolarHBondContact O-N 2.77Å; C103-W105 VanDerWaalsContact O-N 3.16Å; C103-L106 HydrophobicContact CB-CB 3.94Å; C103-L106 PolarHBondContact O-N 3.16Å
104P92.4Very high89.6Confident116 Ų11687.3 Ų87.375%0.75343%0.426SS*.THydrogen-bonded Turntrans-65.1-21.8-175.625.4-34.5000113.6
105W93.2Very high88.6Confident52 Ų5288.1 Ų88.120%0.19743%0.425CS..THydrogen-bonded Turntrans-86.5-7.5176.750.5-102000113.6H10 V13 V59 L61 C103H10-W105 HydrophobicContact CB-CB 4.39Å; H10-W105 HydrophobicContact CB-CD2 4.43Å; H10-W105 HydrophobicContact CB-CG 4.01Å; V13-W105 HydrophobicContact CB-CE3 4.11Å; V13-W105 HydrophobicContact CB-CZ3 4.29Å; V13-W105 HydrophobicContact CG2-CE3 3.87Å; V13-W105 HydrophobicContact CG2-CZ3 4.07Å; V13-W105 PolarHBondContact N-O 2.7Å; V59-W105 HydrophobicContact CG1-CZ3 4.24Å; L61-W105 HydrophobicContact CD2-CH2 3.53Å; L61-W105 HydrophobicContact CD2-CZ3 3.56Å; C103-W105 HydrophobicContact CB-CD2 4.06Å; C103-W105 HydrophobicContact CB-CH2 4.25Å; C103-W105 HydrophobicContact CB-CZ2 3.8Å; C103-W105 PolarHBondContact O-N 2.77Å; C103-W105 VanDerWaalsContact O-N 3.16Å
106L94.8Very high87.2Confident31 Ų3191.4 Ų91.416%0.16244%0.443CS..EExtended strand (participates in β ladder)trans-105.1122178.7-176.665.7000110.8V13 W15 L96 L97 C103V13-L106 HydrophobicContact CB-CD1 3.98Å; V13-L106 HydrophobicContact CG1-CD1 3.75Å; V13-L106 CarbonylContact O-C 3.55Å; V13-L106 WeakPolarHBondContact O-CA 3.39Å; W15-L106 HydrophobicContact CB-CD1 4.39Å; W15-L106 HydrophobicContact CG-CD1 4.27Å; L96-L106 HydrophobicContact CB-CD2 4.32Å; L96-L106 HydrophobicContact CD2-CD1 3.85Å; L96-L106 HydrophobicContact CD2-CD2 4.08Å; L97-L106 HydrophobicContact CD1-CD2 3.81Å; L97-L106 HydrophobicContact CG-CD2 3.87Å; C103-L106 HydrophobicContact CB-CB 3.94Å; C103-L106 PolarHBondContact O-N 3.16Å
107K94Very high85.7Confident119 Ų11998.1 Ų98.152%0.51748%0.479SS..EExtended strand (participates in β ladder)trans-134.6166.4-177.8-58.9176.6-178174.10111.5V13 L14 W15V13-K107 PolarHBondContact O-N 2.8Å; L14-K107 CarbonylContact C-O 3.58Å; L14-K107 WeakPolarHBondContact CA-O 3.28Å; L14-K107 HydrophobicContact CD2-CB 3.8Å; W15-K107 PolarHBondContact N-O 2.89Å
108T93.6Very high83.9Confident56 Ų56101.3 Ų101.334%0.34450%0.497SS..EExtended strand (participates in β ladder)trans-72.9137.3174.5-50.80000110.9W15 F110 W113W15-T108 CarbonylContact O-C 3.56Å; W15-T108 WeakPolarHBondContact O-CA 3.41Å; T108-F110 PolarHBondContact O-N 2.99Å; T108-W113 HydrophobicContact CG2-CD2 4.48Å; T108-W113 HydrophobicContact CG2-CE3 4.5Å
109D94.2Very high82.2Confident1 Ų1103.5 Ų103.51%0.00551%0.512CS..  trans-85.890.2172.4-170.6-14.9000109.7L14 W15 A16 T25 N111 R112 W113L14-D109 HydrophobicContact CB-CB 3.61Å; W15-D109 PolarHBondContact O-N 3.35Å; A16-D109 HydrophobicContact CB-CB 4.04Å; T25-D109 PolarHBondContact OG1-OD2 3.45Å; D109-N111 PolarHBondContact O-N 3.09Å; D109-N111 WeakPolarHBondContact OD1-CB 3.38Å; D109-N111 PolarHBondContact OD1-N 3.27Å; D109-N111 VanDerWaalsContact OD1-N 3.09Å; D109-R112 HydrophobicContact CB-CB 4.45Å; D109-R112 PolarHBondContact O-N 3.48Å; D109-R112 VanDerWaalsContact O-N 3.11Å; D109-R112 PolarHBondContact OD1-N 3.2Å; D109-R112 WeakPolarHBondContact OD2-CD 3.01Å; D109-R112 IonicContact OD2-CZ 3.93Å; D109-R112 IonicContact OD2-NH1 2.94Å; D109-R112 PolarHBondContact OD2-NH1 2.84Å; D109-W113 WeakPolarHBondContact O-CB 3.4Å; D109-W113 PolarHBondContact O-N 3.11Å
110F90.3Very high80.6Confident148 Ų148105.2 Ų105.265%0.64952%0.52SS*.THydrogen-bonded Turntrans-63.5-20.1178.9-66.9-77.3000113.6T108 R112 W113T108-F110 PolarHBondContact O-N 2.99Å; F110-R112 VanDerWaalsContact C-N 3.27Å; F110-R112 PolarHBondContact O-N 3.35Å; F110-W113 AromaticContact CD1-CE3 3.71Å; F110-W113 HydrophobicContact CD1-CE3 3.71Å; F110-W113 HydrophobicContact CD1-CZ3 4.09Å; F110-W113 AromaticContact CE1-CE3 3.85Å; F110-W113 HydrophobicContact CE1-CE3 3.85Å; F110-W113 AromaticContact CE1-CZ3 3.81Å; F110-W113 HydrophobicContact CE1-CZ3 3.81Å
111N87.4Confident79Confident148 Ų148101.5 Ų101.579%0.79152%0.515SS*.THydrogen-bonded Turntrans-75.9-19.4176.7-66.4-10.4000112.3D109D109-N111 PolarHBondContact O-N 3.09Å; D109-N111 WeakPolarHBondContact OD1-CB 3.38Å; D109-N111 PolarHBondContact OD1-N 3.27Å; D109-N111 VanDerWaalsContact OD1-N 3.09Å
112R84.3Confident77.4Confident69 Ų69103.4 Ų103.426%0.2652%0.521SS..THydrogen-bonded Turntrans-119.5-6.4-178.3-70.1-175.3174.475.65.9113.9A16 T25 F82 D109 F110 K114A16-R112 HydrophobicContact CB-CB 3.74Å; T25-R112 PolarHBondContact OG1-NH1 3.5Å; T25-R112 VanDerWaalsContact OG1-NH1 3.14Å; F82-R112 VanDerWaalsContact CD1-CZ 3.43Å; D109-R112 HydrophobicContact CB-CB 4.45Å; D109-R112 PolarHBondContact O-N 3.48Å; D109-R112 VanDerWaalsContact O-N 3.11Å; D109-R112 PolarHBondContact OD1-N 3.2Å; D109-R112 WeakPolarHBondContact OD2-CD 3.01Å; D109-R112 IonicContact OD2-CZ 3.93Å; D109-R112 IonicContact OD2-NH1 2.94Å; D109-R112 PolarHBondContact OD2-NH1 2.84Å; F110-R112 VanDerWaalsContact C-N 3.27Å; F110-R112 PolarHBondContact O-N 3.35Å; R112-K114 PolarHBondContact O-N 2.84Å
113W79.9Confident75.7Confident148 Ų148101.1 Ų101.156%0.56152%0.516SS*.  trans-68.6116.7174.7-172.121000108.3T108 D109 F110T108-W113 HydrophobicContact CG2-CD2 4.48Å; T108-W113 HydrophobicContact CG2-CE3 4.5Å; D109-W113 WeakPolarHBondContact O-CB 3.4Å; D109-W113 PolarHBondContact O-N 3.11Å; F110-W113 AromaticContact CD1-CE3 3.71Å; F110-W113 HydrophobicContact CD1-CE3 3.71Å; F110-W113 HydrophobicContact CD1-CZ3 4.09Å; F110-W113 AromaticContact CE1-CE3 3.85Å; F110-W113 HydrophobicContact CE1-CE3 3.85Å; F110-W113 AromaticContact CE1-CZ3 3.81Å; F110-W113 HydrophobicContact CE1-CZ3 3.81Å
114K74.6Confident73.6Confident79 Ų79106 Ų10634%0.34354%0.54SS..  trans-105.1136.7163.5-75.1-157.3165.2-151.60107.6R112R112-K114 PolarHBondContact O-N 2.84Å
115D69Low71.8Confident117 Ų117103.2 Ų103.263%0.62653%0.532SS*.  trans-67.3153.9168.2-151.6-14.9000109.3D117 D118D115-D117 PolarHBondContact O-N 2.79Å; D115-D117 VanDerWaalsContact O-N 3.1Å; D115-D118 PolarHBondContact O-N 3.47Å
116E63Low70.1Confident142 Ų142106.8 Ų106.866%0.66456%0.555SS**THydrogen-bonded Turntrans-63.5-17.6-174.1-66.9-170.615700112.8S92S92-E116 WeakPolarHBondContact CB-OE1 3.36Å; S92-E116 PolarHBondContact OG-OE1 2.78Å
117D59.9Low68.2Low144 Ų144109.8 Ų109.877%0.7757%0.571SS**THydrogen-bonded Turntrans-95.3-12.3-178.9-161.136.1000114D115 S119D115-D117 PolarHBondContact O-N 2.79Å; D115-D117 VanDerWaalsContact O-N 3.1Å; D117-S119 PolarHBondContact O-N 3.42Å
118D58Low66.6Low83 Ų83111 Ų11144%0.44458%0.577SS.*  trans-8333.6-174.8-156.430.8000112.9D115 E120D115-D118 PolarHBondContact O-N 3.47Å; D118-E120 PolarHBondContact O-N 3.45Å; D118-E120 VanDerWaalsContact O-N 3.11Å
119S56.4Low65.4Low98 Ų98111.9 Ų111.969%0.68559%0.586SS**  trans-76.745.8163.447.80000111.2D117D117-S119 PolarHBondContact O-N 3.42Å
120E56.4Low64Low151 Ų151117 Ų11771%0.70661%0.613SS**  trans-68129.8154.6-76.7-157.1108.200107.4D118 D122D118-E120 PolarHBondContact O-N 3.45Å; D118-E120 VanDerWaalsContact O-N 3.11Å; E120-D122 PolarHBondContact O-N 2.77Å; E120-D122 VanDerWaalsContact O-N 3.16Å
121P54.5Low62.9Low107 Ų107116.8 Ų116.870%0.69562%0.616SS**  trans-57.2126.3167.226.1-30.7000105.8M123P121-M123 PolarHBondContact O-N 3.19Å
122D53.8Low62.1Low137 Ų137114.1 Ų114.173%0.73360%0.601SS**  trans-43.6112.3167.4-83-54.5000105.9E120 D124E120-D122 PolarHBondContact O-N 2.77Å; E120-D122 VanDerWaalsContact O-N 3.16Å; D122-D124 PolarHBondContact O-N 3.1Å
123M49.5Very low61.5Low153 Ų153113.6 Ų113.675%0.75461%0.608SS**  trans-70.771.4176.7-133.8-162.9-149.900105P121 G125P121-M123 PolarHBondContact O-N 3.19Å; M123-G125 PolarHBondContact O-N 3.2Å; M123-G125 VanDerWaalsContact O-N 3.1Å
124D47.5Very low60.9Low127 Ų127114 Ų11468%0.67962%0.616SS**  trans-49.1122.4161.8-97.4-37.2000104.6D122 N126 N127D122-D124 PolarHBondContact O-N 3.1Å; D124-N126 PolarHBondContact O-N 2.63Å; D124-N127 PolarHBondContact O-N 3.32Å
125G54.3Low60.4Low57 Ų57117.2 Ų117.259%0.58863%0.634SS**THydrogen-bonded Turntrans-56.15.8-168.900000116.1M123M123-G125 PolarHBondContact O-N 3.2Å; M123-G125 VanDerWaalsContact O-N 3.1Å
126N56.2Low60.2Low128 Ų128115.8 Ų115.868%0.68463%0.633SS**Hα-helixtrans-70.6-25.6170.4-71.121.3000113.3D124 N130D124-N126 PolarHBondContact O-N 2.63Å; N126-N130 PolarHBondContact O-N 3.02Å
127N55.9Low60.3Low94 Ų94114.8 Ų114.850%0.50363%0.632SS.*Hα-helixtrans-75.8-32.9177.5-82.6-12.8000112.9D124 S129 N130 M131D124-N127 PolarHBondContact O-N 3.32Å; N127-S129 VanDerWaalsContact C-N 3.35Å; N127-N130 PolarHBondContact O-N 2.91Å; N127-M131 WeakPolarHBondContact O-CB 3.36Å; N127-M131 PolarHBondContact O-N 3.41Å
128F61.2Low60.1Low144 Ų144116.4 Ų116.463%0.63263%0.633SS**Hα-helixtrans-66.5-39.4174.6-170.9-102.9000111.2N130 M131 L132F128-N130 VanDerWaalsContact C-N 3.35Å; F128-N130 PolarHBondContact O-N 3.19Å; F128-M131 PolarHBondContact O-N 3.32Å; F128-L132 HydrophobicContact CE1-CD2 4.3Å; F128-L132 WeakPolarHBondContact O-CB 3.22Å; F128-L132 PolarHBondContact O-N 2.97Å
129S66.7Low60.1Low75 Ų75115.8 Ų115.852%0.52465%0.646SS.*Hα-helixtrans-65.7-34.9174.7-173.30000112.9N127 S133N127-S129 VanDerWaalsContact C-N 3.35Å; S129-S133 VanDerWaalsContact O-CB 3.22Å; S129-S133 WeakPolarHBondContact O-CB 3.26Å; S129-S133 PolarHBondContact O-N 2.99Å; S129-S133 PolarHBondContact O-OG 3Å
130N66.4Low60Low108 Ų108117.9 Ų117.958%0.57865%0.65SS**Hα-helixtrans-75.4-34.4176.2-95.214.1000112.9N126 N127 F128 S133 Q134N126-N130 PolarHBondContact O-N 3.02Å; N127-N130 PolarHBondContact O-N 2.91Å; F128-N130 VanDerWaalsContact C-N 3.35Å; F128-N130 PolarHBondContact O-N 3.19Å; N130-S133 WeakPolarHBondContact CA-OG 3.26Å; N130-S133 PolarHBondContact O-OG 3.44Å; N130-Q134 VanDerWaalsContact O-CB 3.26Å; N130-Q134 WeakPolarHBondContact O-CB 3.19Å; N130-Q134 PolarHBondContact O-N 3.5Å
131M66.5Low59.7Low144 Ų144120.5 Ų120.571%0.70965%0.654SS**Hα-helixtrans-73.1-39.7175.5-167.4176.3-177.400111.4N127 F128 Q134 M135N127-M131 WeakPolarHBondContact O-CB 3.36Å; N127-M131 PolarHBondContact O-N 3.41Å; F128-M131 PolarHBondContact O-N 3.32Å; M131-Q134 PolarHBondContact O-N 2.88Å; M131-M135 WeakPolarHBondContact O-CB 3.34Å; M131-M135 PolarHBondContact O-N 3.47Å
132L70.7Confident59.4Low91 Ų91119.1 Ų119.148%0.47666%0.66SS.*Hα-helixtrans-67.8-40.1175-170.966.1000111.5F128 M135 S136F128-L132 HydrophobicContact CE1-CD2 4.3Å; F128-L132 WeakPolarHBondContact O-CB 3.22Å; F128-L132 PolarHBondContact O-N 2.97Å; L132-M135 PolarHBondContact O-N 2.86Å; L132-S136 WeakPolarHBondContact O-CB 3.49Å; L132-S136 PolarHBondContact O-N 3.4Å; L132-S136 PolarHBondContact O-OG 3.2Å
133S71.8Confident59Low59 Ų59116.1 Ų116.141%0.41366%0.662SS.*Hα-helixtrans-67.5-36.1174.565.80000112.1S129 N130 M135 S136 N137S129-S133 VanDerWaalsContact O-CB 3.22Å; S129-S133 WeakPolarHBondContact O-CB 3.26Å; S129-S133 PolarHBondContact O-N 2.99Å; S129-S133 PolarHBondContact O-OG 3Å; N130-S133 WeakPolarHBondContact CA-OG 3.26Å; N130-S133 PolarHBondContact O-OG 3.44Å; S133-M135 VanDerWaalsContact C-N 3.33Å; S133-M135 PolarHBondContact O-N 2.98Å; S133-S136 PolarHBondContact O-N 3.21Å; S133-N137 VanDerWaalsContact O-CB 3.26Å; S133-N137 WeakPolarHBondContact O-CB 3.44Å; S133-N137 PolarHBondContact O-N 2.92Å
134Q67.5Low58.9Low155 Ų155116.3 Ų116.372%0.72467%0.665SS**Hα-helixtrans-68.2-31.8174.3-171.8167.1-38.700112.7N130 M131 F138N130-Q134 VanDerWaalsContact O-CB 3.26Å; N130-Q134 WeakPolarHBondContact O-CB 3.19Å; N130-Q134 PolarHBondContact O-N 3.5Å; M131-Q134 PolarHBondContact O-N 2.88Å; Q134-F138 PolarHBondContact O-N 2.85Å
135M63.4Low58.9Low147 Ų147117.9 Ų117.972%0.72467%0.674SS**Hα-helixtrans-76.3-39.2174-167.2165.8-175.100112.1M131 L132 S133 N137 F138 G139M131-M135 WeakPolarHBondContact O-CB 3.34Å; M131-M135 PolarHBondContact O-N 3.47Å; L132-M135 PolarHBondContact O-N 2.86Å; S133-M135 VanDerWaalsContact C-N 3.33Å; S133-M135 PolarHBondContact O-N 2.98Å; M135-N137 VanDerWaalsContact C-N 3.25Å; M135-N137 PolarHBondContact O-N 3.4Å; M135-F138 PolarHBondContact O-N 3.48Å; M135-G139 PolarHBondContact O-N 3.31Å
136S65.4Low58.5Low88 Ų88118.9 Ų118.962%0.61568%0.684SS**Hα-helixtrans-66.8-25.5172.2-680000113L132 S133L132-S136 WeakPolarHBondContact O-CB 3.49Å; L132-S136 PolarHBondContact O-N 3.4Å; L132-S136 PolarHBondContact O-OG 3.2Å; S133-S136 PolarHBondContact O-N 3.21Å
137N63.4Low58.2Low120 Ų120120.4 Ų120.464%0.64269%0.691SS**THydrogen-bonded Turntrans-87.8-4.6175.7-143.190.8000113.5S133 M135S133-N137 VanDerWaalsContact O-CB 3.26Å; S133-N137 WeakPolarHBondContact O-CB 3.44Å; S133-N137 PolarHBondContact O-N 2.92Å; M135-N137 VanDerWaalsContact C-N 3.25Å; M135-N137 PolarHBondContact O-N 3.4Å
138F57.4Low57.7Low178 Ų178124 Ų12478%0.78171%0.71SS**THydrogen-bonded Turntrans-94.1-11.5170.5-164.4-100.5000112.2Q134 M135Q134-F138 PolarHBondContact O-N 2.85Å; M135-F138 PolarHBondContact O-N 3.48Å
139G57.1Low57.1Low70 Ų70119.8 Ų119.872%0.72271%0.706SS**THydrogen-bonded Turntrans-85.20.3178.700000115.9M135M135-G139 PolarHBondContact O-N 3.31Å
140D55.5Low56.1Low142 Ų142123.3 Ų123.376%0.75972%0.72SS**THydrogen-bonded Turntrans-110.25.7-173.5-161.750.7000113.7
141Y49.1Very low55.4Low206 Ų206125.8 Ų125.881%0.80873%0.732SS**SBendtrans-116.480175.2-77.6-88.2000110.4
142G49.1Very low54.3Low79 Ų79126.6 Ų126.681%0.81474%0.739SS**  trans-175.739.417800000113.7
143G45.4Very low53.4Low74 Ų74127.2 Ų127.276%0.76375%0.751SS**  trans-85140.6163.800000109.9
144D47Very low52.5Low156 Ų156130.8 Ų130.883%0.83477%0.766SS**  trans85.484172.6-150.960.4000115.5
145D47.2Very low51.9Low161 Ų161131.2 Ų131.286%0.86177%0.773SS**  trans-160.1113.9130.9-107.5-52.6000108.4I147D145-I147 PolarHBondContact O-N 3.34Å
146G46.6Very low51.3Low77 Ų77131.8 Ų131.879%0.79477%0.774SS**  trans-67.6120.3174.900000110.3
147I49.6Very low50.9Low161 Ų161134.7 Ų134.783%0.82678%0.782SS**  trans-132.1106.9153.9-156.4108.6000108.3D145 G149D145-I147 PolarHBondContact O-N 3.34Å; I147-G149 PolarHBondContact O-N 2.98Å
148D44.1Very low50.8Low170 Ų170137.3 Ų137.391%0.90980%0.795SS**  trans-55119161.3-160.120.3000107.1
149G49.2Very low51Low54 Ų54134.1 Ų134.156%0.55779%0.792SS**  trans-164.555.9-162.700000111.8I147 L151I147-G149 PolarHBondContact O-N 2.98Å; G149-L151 PolarHBondContact O-N 3.38Å
150D44.9Very low50.7Low150 Ų150138.2 Ų138.280%0.80280%0.798SS**  trans-30.896.5158.1-153.314.6000111.8
151L53.1Low50.7Low160 Ų160139.3 Ų139.384%0.83880%0.803SS**  trans-143.367.8170.2-69.6179.8000109.1G149 S153G149-L151 PolarHBondContact O-N 3.38Å; L151-S153 PolarHBondContact O-N 3.4Å
152D42.6Very low50.8Low161 Ų161138 Ų13886%0.86180%0.804SS**  trans-52.1115.2140.2-109.2-13.2000107.9
153S52.3Low51.1Low103 Ų103142.4 Ų142.472%0.7281%0.805SS**  trans-166.8106.3156.5-1630000110.5L151L151-S153 PolarHBondContact O-N 3.4Å
154D53.2Low51.3Low135 Ų135143.7 Ų143.772%0.72280%0.8SS**  trans25.4110.4148.6-70-21.7000116.2
155D53.5Low51.4Low163 Ų163144.4 Ų144.487%0.87280%0.804SS**  cis23.668.444.4-150.628000113
156E51.3Low51.4Low160 Ų160140.3 Ų140.375%0.74879%0.793SS**  trans-167.6144.2138.2-72-131.8134.500109.3
157D57.4Low51.7Low148 Ų148143.8 Ų143.879%0.79179%0.793SS**  trans76.969162.7-61.6-31.8000120.4P159D157-P159 WeakPolarHBondContact O-CD 3.49Å
158L61.8Low51.8Low175 Ų175140 Ų14092%0.91679%0.786SS**  trans-89.5113.3149.1-100.3150.4000109.4
159P61.7Low52Low111 Ų111138.7 Ų138.772%0.72178%0.779SS**  trans-71.6142.9179.728.1-32.8000112D157 L161D157-P159 WeakPolarHBondContact O-CD 3.49Å; P159-L161 PolarHBondContact O-N 3.41Å
160D49.7Very low52Low156 Ų156144.4 Ų144.483%0.83479%0.788SS**  trans-59.9116.3-178.3-153.32.5000111.7E162D160-E162 PolarHBondContact O-N 3.13Å; D160-E162 VanDerWaalsContact O-N 3.13Å
161L56.4Low52.2Low165 Ų165141.4 Ų141.486%0.86478%0.779SS**  trans-82.886.6179.4-91.7163.6000110.2P159P159-L161 PolarHBondContact O-N 3.41Å
162E50.4Low52Low179 Ų179141.9 Ų141.984%0.83678%0.777SS**  trans-64.2127.1167.1-77-173.6143.200111.8D160D160-E162 PolarHBondContact O-N 3.13Å; D160-E162 VanDerWaalsContact O-N 3.13Å
163M56.3Low52.2Low171 Ų171141.4 Ų141.484%0.84277%0.77SS**  trans-72.9-165.5161.3-55-168.8-41.100110.6
164P50.1Low51.6Low101 Ų101143.3 Ų143.366%0.65677%0.772SS**  -118.2160.4-64.533.3-18.3000110.3
165N47.3Very low51.1Low171 Ų171140.4 Ų140.491%0.91477%0.774SS**  trans171147.3163.5-95.8-24.3000104.9
166A48.1Very low50.3Low75 Ų75139.2 Ų139.262%0.6277%0.773SS**  cis-157.2168.57.200000102.1
167D52.2Low50.4Low150 Ų150141.3 Ų141.380%0.80278%0.783SS**  cis162.3155.848.4-127.9-43000103.8
168A52.1Low49.9Very low83 Ų83143.4 Ų143.469%0.68679%0.788SS**  trans67.4141.2143.900000119.8
169N48.1Very low49.4Very low141 Ų141144.3 Ų144.375%0.75479%0.787SS**  cis175.1159.9-15-140.5-24.7000104.6
170K50.3Low48.7Very low174 Ų174142.8 Ų142.876%0.75778%0.784SS**  trans76.7111.2158-65.7175.5179.4-1770117.7
171S49.3Very low48.8Very low87 Ų87144 Ų14461%0.60879%0.785SS**  87.3143.354.873.60000113.9
172E47.4Very low48.6Very low171 Ų171146.4 Ų146.480%0.79979%0.789SS**  trans81.1146.2159.9-63.6163.9-152.300117.8
173E47.6Very low48.7Very low150 Ų150145.8 Ų145.870%0.70178%0.783SS**  cis-179.4155.5-20.8-160-176.314300105.3
174N38.8Very low48.3Very low143 Ų143143.6 Ų143.677%0.76578%0.779SS**  trans77.2138.9151-83.7-32.3000123.3
175G42.9Very low48.5Very low75 Ų75143.8 Ų143.877%0.77378%0.78SS**  trans146.372.6144.700000117.5
176T37.8Very low48.8Very low138 Ų138144.7 Ų144.785%0.84778%0.779SS**  trans-67.3136.4160.830.50000112.9
177E52.5Low49.2Very low203 Ų203150.1 Ų150.195%0.94979%0.789SS**  trans-145.9134.1148.2-67.1-169.8172.200111
178E46.4Very low49.3Very low192 Ų192151.5 Ų151.590%0.89779%0.791SS**  trans-119.8127.5-176.8-179.6-176.2-146.700105.8
179E52.3Low49.4Very low194 Ų194151.6 Ų151.691%0.90779%0.791SS**  trans-159129.2164.3-117-176.8-167.800115
180A47.8Very low49.6Very low80 Ų80150.2 Ų150.266%0.66179%0.792SS**  trans78.1103.2133.400000122.6
181E50.8Low50.4Low181 Ų181147.9 Ų147.985%0.84680%0.798SS**  46.5121.3119.3-68.4-167126.200121.6
182K53.1Low51.2Low216 Ų216148.4 Ų148.494%0.93981%0.808SS**  trans-150.9130.5130.1-149.6166.3-176.6175.40114
183K51.2Low51.6Low166 Ų166151.7 Ų151.772%0.72283%0.831SS**  trans-95141.4-172.4-126.2175.1-176.8169.90111.5
184T48.5Very low51.8Low125 Ų125151.8 Ų151.877%0.76784%0.837SS**  trans62.1168.2140.247.40000121.5
185P54.2Low52.5Low104 Ų104152.2 Ų152.268%0.67584%0.841SS**  cis-139.3176-29.532.2-11.2000115.1
186E53.9Low53Low190 Ų190156.5 Ų156.589%0.88885%0.845SS**  trans15.9133.9147.8-61.2178.1141.500123.3
187K56.8Low53.9Low189 Ų189157.6 Ų157.682%0.82285%0.845SS**  trans-136.7119.8141.8-92.1-174172.7-176.60106.9
188E52.8Low54Low180 Ų180154.8 Ų154.884%0.84184%0.838SS**  47.3135.291.6-70.1-168.4146.100113.1
189A55.4Low54.5Low85 Ų85152.3 Ų152.370%0.70283%0.834SS**  cis-173.4158.7-4.900000105.9
190S51.7Low54.7Low111 Ų111149.3 Ų149.378%0.77683%0.829SS**  trans56.7109.6142.2172.90000120
191S68Low55.2Low125 Ų125154.6 Ų154.687%0.87484%0.842SS**  -156.6127.2121.7-86.30000111.5
192A65.3Low55.6Low99 Ų99152.4 Ų152.482%0.81884%0.842SS**  trans-80.5138.6175.300000111
193N55.9Low55.8Low239 Ų239146.6 Ų146.6100%1.27883%0.833SS**  -1610126.1-145.632.9000109.5

Retrieved 193 of 193 residues in 351.7 ms (Link to these results)

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