A0A076L8Z0_HUMAN Loading...

Survival motor neuron protein

AlphaFold DB , UniProt , Accession A0A076L8Z0, Species HUMAN (Homo sapiens, Human), Gene SMN2, Length 211 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
1N30.2Very low63.4Low209 Ų209117 Ų117100%1.11867%0.668SS**  070.8044.8-4.8000107.8A3N1-A3 PolarHBondContact O-N 3.05Å
2T37.5Very low66Low144 Ų144111.3 Ų111.388%0.88365%0.654SS**  trans-80.3119.8-179.7-47.70000107.5A4T2-A4 PolarHBondContact O-N 3.19Å
3A37.5Very low68.3Low98 Ų98105.1 Ų105.181%0.8162%0.616SS**  trans-66.780.6-17900000110.3N1 S5N1-A3 PolarHBondContact O-N 3.05Å; A3-S5 PolarHBondContact O-N 2.83Å
4A44.7Very low70.2Confident84 Ų84108.8 Ų108.869%0.69462%0.621SS**  trans-6598.5153.300000104.9T2 L6T2-A4 PolarHBondContact O-N 3.19Å; A4-L6 PolarHBondContact O-N 3.31Å
5S49.1Very low71.9Confident74 Ų74101.7 Ų101.752%0.51758%0.58SS.*  trans-47.6116.216647.10000106.6A3 Q7A3-S5 PolarHBondContact O-N 2.83Å; S5-Q7 PolarHBondContact O-N 2.97Å
6L57.4Low73.3Confident178 Ų17895.4 Ų95.493%0.93254%0.544SS*.  trans-68.959171.1-74.1170.3000108.5A4 Q8A4-L6 PolarHBondContact O-N 3.31Å; L6-Q8 PolarHBondContact O-N 2.77Å; L6-Q8 VanDerWaalsContact O-N 3.08Å
7Q69.4Low74.6Confident79 Ų7989.8 Ų89.837%0.36951%0.513SS..  trans-68.3108.6173.5-115.6173.51.400105.8S5 W9 S60S5-Q7 PolarHBondContact O-N 2.97Å; Q7-W9 HydrophobicContact CB-CD2 4.41Å; Q7-W9 HydrophobicContact CB-CZ2 4.23Å; Q7-W9 PolarHBondContact O-N 3.34Å; Q7-W9 VanDerWaalsContact OE1-CZ2 3.29Å; Q7-S60 PolarHBondContact OE1-OG 3.33Å
8Q87.9Confident75.7Confident177 Ų17788.5 Ų88.583%0.82750%0.503SS*.  trans-72.189.3171.7-174.3126.552.600108L6L6-Q8 PolarHBondContact O-N 2.77Å; L6-Q8 VanDerWaalsContact O-N 3.08Å
9W92.8Very high76.6Confident27 Ų2786.2 Ų86.210%0.10249%0.486CS..  trans-60.5135.7179.2-66.7119000111.6Q7 D13 C15 I30 I33 L55 L58 L59Q7-W9 HydrophobicContact CB-CD2 4.41Å; Q7-W9 HydrophobicContact CB-CZ2 4.23Å; Q7-W9 PolarHBondContact O-N 3.34Å; Q7-W9 VanDerWaalsContact OE1-CZ2 3.29Å; W9-D13 HydrophobicContact CE3-CB 3.97Å; W9-D13 HydrophobicContact CZ3-CB 4.21Å; W9-C15 HydrophobicContact CH2-CB 3.75Å; W9-C15 HydrophobicContact CZ3-CB 3.78Å; W9-I30 HydrophobicContact CB-CD1 3.72Å; W9-I30 HydrophobicContact CD2-CD1 3.82Å; W9-I30 HydrophobicContact CE3-CD1 3.52Å; W9-I30 HydrophobicContact CG-CD1 3.95Å; W9-I30 HydrophobicContact CZ3-CD1 4.33Å; W9-I33 HydrophobicContact CB-CD1 4.25Å; W9-I33 VanDerWaalsContact O-CD1 3.26Å; W9-I33 WeakPolarHBondContact O-CD1 3.46Å; W9-L55 HydrophobicContact CB-CD2 3.97Å; W9-L55 HydrophobicContact CG-CD2 4.27Å; W9-L55 PolarHBondContact NE1-O 3.47Å; W9-L55 VanDerWaalsContact NE1-O 3.16Å; W9-L58 HydrophobicContact CD2-CD1 3.89Å; W9-L58 HydrophobicContact CE3-CD1 4.48Å; W9-L58 HydrophobicContact CG-CD1 3.99Å; W9-L58 HydrophobicContact CH2-CB 4.4Å; W9-L58 HydrophobicContact CZ2-CB 3.58Å; W9-L58 HydrophobicContact CZ2-CD1 4.34Å; W9-L59 WeakPolarHBondContact CH2-O 3.37Å
10K94.1Very high77.3Confident129 Ų12986.4 Ų86.456%0.56149%0.493SS*.  trans-127.7158.1169.959.3177.6178.6-53.30111.2G12 D13 I33K10-G12 PolarHBondContact O-N 3.27Å; K10-D13 WeakPolarHBondContact CE-OD1 3.39Å; K10-D13 VanDerWaalsContact CG-CG 3.42Å; K10-D13 VanDerWaalsContact CG-OD1 3.29Å; K10-D13 WeakPolarHBondContact CG-OD1 3.47Å; K10-D13 WeakPolarHBondContact CG-OD2 3.28Å; K10-D13 PolarHBondContact N-OD2 2.91Å; K10-D13 IonicContact NZ-OD1 2.64Å; K10-D13 PolarHBondContact NZ-OD1 3.07Å; K10-D13 IonicContact NZ-OD2 3.39Å; K10-D13 PolarHBondContact NZ-OD2 2.98Å; K10-D13 WeakPolarHBondContact O-CB 3.42Å; K10-D13 PolarHBondContact O-N 2.94Å; K10-I33 VanDerWaalsContact CA-CD1 3.5Å
11V96.4Very high77.9Confident88 Ų8889.7 Ų89.753%0.53350%0.504SS..THydrogen-bonded Turntrans-57.1131.9172.6179.30000109.4A31 I33V11-A31 VanDerWaalsContact CG1-O 3.28Å; V11-A31 WeakPolarHBondContact CG1-O 3.34Å; V11-I33 HydrophobicContact CG2-CD1 4.33Å; V11-I33 HydrophobicContact CG2-CG1 4.07Å
12G95.6Very high80.8Confident48 Ų4883.1 Ų83.150%0.49547%0.469SS..THydrogen-bonded Turntrans92.7-7-175.800000114.8K10 I30K10-G12 PolarHBondContact O-N 3.27Å; G12-I30 PolarHBondContact N-O 2.95Å
13D95.3Very high83.3Confident31 Ų3178.7 Ų78.717%0.16645%0.452CS..  trans-66137.2175.5-78.3-14.9000111.4W9 K10 T29 I30W9-D13 HydrophobicContact CE3-CB 3.97Å; W9-D13 HydrophobicContact CZ3-CB 4.21Å; K10-D13 WeakPolarHBondContact CE-OD1 3.39Å; K10-D13 VanDerWaalsContact CG-CG 3.42Å; K10-D13 VanDerWaalsContact CG-OD1 3.29Å; K10-D13 WeakPolarHBondContact CG-OD1 3.47Å; K10-D13 WeakPolarHBondContact CG-OD2 3.28Å; K10-D13 PolarHBondContact N-OD2 2.91Å; K10-D13 IonicContact NZ-OD1 2.64Å; K10-D13 PolarHBondContact NZ-OD1 3.07Å; K10-D13 IonicContact NZ-OD2 3.39Å; K10-D13 PolarHBondContact NZ-OD2 2.98Å; K10-D13 WeakPolarHBondContact O-CB 3.42Å; K10-D13 PolarHBondContact O-N 2.94Å; D13-T29 WeakPolarHBondContact O-CA 3.2Å; D13-I30 HydrophobicContact CB-CD1 4.08Å; D13-I30 HydrophobicContact CB-CG1 4.44Å; D13-I30 PolarHBondContact O-N 3.07Å
14K95.7Very high85.8Confident157 Ų15776.9 Ų76.968%0.68343%0.432SS*.EExtended strand (participates in β ladder)trans-74.3132.9167.1-61.3-167.4177.3-156.90108.2P61K14-P61 HydrophobicContact CB-CB 3.95Å; K14-P61 HydrophobicContact CB-CG 4.42Å; K14-P61 WeakPolarHBondContact O-CB 3.5Å; K14-P61 WeakPolarHBondContact O-CD 3.37Å; K14-P61 VanDerWaalsContact O-CG 3.3Å; K14-P61 WeakPolarHBondContact O-CG 3.46Å
15C94.9Very high88.1Confident2 Ų277.1 Ų77.11%0.01442%0.421CS..EExtended strand (participates in β ladder)trans-142.7177.1178.858.60000109.3W9 A28 L58W9-C15 HydrophobicContact CH2-CB 3.75Å; W9-C15 HydrophobicContact CZ3-CB 3.78Å; C15-A28 PolarHBondContact N-O 2.64Å; C15-A28 PolarHBondContact O-N 3.39Å; C15-A28 PolarHBondContact SG-O 2.91Å; C15-L58 HydrophobicContact CB-CD2 4.35Å
16S94.9Very high90.3Very high1 Ų175.9 Ų75.91%0.00741%0.405CS..EExtended strand (participates in β ladder)trans-121138.4165.6-66.90000108.6Y26 L59 I62S16-Y26 WeakPolarHBondContact CA-O 3.23Å; S16-L59 PolarHBondContact N-O 2.86Å; S16-L59 WeakPolarHBondContact O-CB 3.47Å; S16-L59 PolarHBondContact O-N 2.94Å; S16-I62 WeakPolarHBondContact OG-CG1 3.22Å; S16-I62 PolarHBondContact OG-N 2.82Å
17A94.9Very high92.1Very high1 Ų170.5 Ų70.51%0.00838%0.381CS..EExtended strand (participates in β ladder)trans-136147.8-178.600000110.4Y26 A28 V42 Y44 Q53 L58A17-Y26 PolarHBondContact N-O 2.95Å; A17-Y26 PolarHBondContact O-N 3.23Å; A17-A28 HydrophobicContact CB-CB 4.42Å; A17-V42 HydrophobicContact CB-CG2 4.13Å; A17-Y44 HydrophobicContact CB-CE1 4.07Å; A17-Q53 HydrophobicContact CB-CG 4.32Å; A17-L58 HydrophobicContact CB-CD2 4.22Å
18I94Very high93.4Very high66 Ų6666.9 Ų66.934%0.33837%0.365SS..EExtended strand (participates in β ladder)trans-73.4132.1172.9-62.8170000107.9C24 I25 Y44 Q53I18-C24 CarbonylContact C-O 3.53Å; I18-C24 WeakPolarHBondContact CA-O 3.32Å; I18-I25 HydrophobicContact CG1-CG1 3.91Å; I18-Y44 PolarHBondContact O-OH 3.1Å; I18-Q53 PolarHBondContact O-NE2 2.9Å; I18-Q53 VanDerWaalsContact O-NE2 3.16Å
19W93.3Very high93.8Very high45 Ų4560.8 Ų60.817%0.1734%0.34CS..  trans-87.4129.5173.7-172.926.4000110.1E21 G23 C24 Y26 Y44W19-E21 HydrophobicContact CD2-CB 4.03Å; W19-E21 HydrophobicContact CE3-CB 4.46Å; W19-E21 HydrophobicContact CG-CB 4.49Å; W19-E21 HydrophobicContact CH2-CB 4.35Å; W19-E21 HydrophobicContact CZ2-CB 3.9Å; W19-E21 HydrophobicContact CZ2-CG 4.42Å; W19-E21 WeakPolarHBondContact CZ2-OE2 3.41Å; W19-E21 PolarHBondContact O-N 3.42Å; W19-G23 VanDerWaalsContact O-CA 3.27Å; W19-G23 WeakPolarHBondContact O-CA 3.31Å; W19-G23 PolarHBondContact O-N 2.86Å; W19-C24 PolarHBondContact N-O 2.74Å; W19-Y26 HydrophobicContact CB-CD2 3.6Å; W19-Y26 HydrophobicContact CB-CE2 3.83Å; W19-Y26 HydrophobicContact CD2-CE2 4.43Å; W19-Y26 HydrophobicContact CE3-CD2 4.31Å; W19-Y26 AromaticContact CE3-CE2 3.71Å; W19-Y26 HydrophobicContact CE3-CE2 3.71Å; W19-Y26 HydrophobicContact CG-CD2 4.49Å; W19-Y44 WeakPolarHBondContact CA-OH 3.47Å; W19-Y44 HydrophobicContact CB-CE1 4.14Å; W19-Y44 AromaticContact CD1-CE2 3.85Å; W19-Y44 HydrophobicContact CG-CE2 4.4Å
20S91.5Very high94Very high90 Ų9059.6 Ų59.663%0.62934%0.336SS*.THydrogen-bonded Turntrans-63.5-21.2-175.650.30000114.6E51S20-E51 WeakPolarHBondContact CB-OE1 3.42Å; S20-E51 PolarHBondContact OG-OE1 2.8Å; S20-E51 PolarHBondContact OG-OE2 3.25Å
21E89.8Confident94.1Very high156 Ų15655.2 Ų55.273%0.72932%0.323SS*.THydrogen-bonded Turntrans-78.6-35.6-174.4-166.3149.6-167.800113.1W19W19-E21 HydrophobicContact CD2-CB 4.03Å; W19-E21 HydrophobicContact CE3-CB 4.46Å; W19-E21 HydrophobicContact CG-CB 4.49Å; W19-E21 HydrophobicContact CH2-CB 4.35Å; W19-E21 HydrophobicContact CZ2-CB 3.9Å; W19-E21 HydrophobicContact CZ2-CG 4.42Å; W19-E21 WeakPolarHBondContact CZ2-OE2 3.41Å; W19-E21 PolarHBondContact O-N 3.42Å
22D90.2Very high94.1Very high70 Ų7052.9 Ų52.937%0.37431%0.311SS..THydrogen-bonded Turntrans-126-6.4-177.464.43.6000114.1C24 Y26D22-C24 PolarHBondContact O-N 3.01Å; D22-C24 WeakPolarHBondContact OD1-CB 3.3Å; D22-C24 PolarHBondContact OD1-N 3.01Å; D22-Y26 WeakPolarHBondContact OD1-CE2 3.4Å; D22-Y26 VanDerWaalsContact OD2-CE2 3.3Å; D22-Y26 WeakPolarHBondContact OD2-CE2 3.26Å; D22-Y26 PolarHBondContact OD2-OH 2.97Å
23G89.6Confident94.2Very high51 Ų5151.7 Ų51.753%0.52629%0.293SS..  trans68.813.7-177.100000114.1W19W19-G23 VanDerWaalsContact O-CA 3.27Å; W19-G23 WeakPolarHBondContact O-CA 3.31Å; W19-G23 PolarHBondContact O-N 2.86Å
24C90.9Very high94.1Very high60 Ų6053.6 Ų53.641%0.40530%0.303SS..  trans-92.7153.9-179.1-68.10000111.9I18 W19 D22 Y26I18-C24 CarbonylContact C-O 3.53Å; I18-C24 WeakPolarHBondContact CA-O 3.32Å; W19-C24 PolarHBondContact N-O 2.74Å; D22-C24 PolarHBondContact O-N 3.01Å; D22-C24 WeakPolarHBondContact OD1-CB 3.3Å; D22-C24 PolarHBondContact OD1-N 3.01Å; C24-Y26 HydrophobicContact CB-CD2 4.34Å; C24-Y26 HydrophobicContact CB-CE2 3.54Å; C24-Y26 VanDerWaalsContact O-CD2 3.26Å; C24-Y26 WeakPolarHBondContact O-CD2 3.3Å
25I93Very high93.8Very high89 Ų8953.4 Ų53.446%0.45630%0.303SS..EExtended strand (participates in β ladder)trans-86.3127.3180-60.9165000109.6I18 L59 I62I18-I25 HydrophobicContact CG1-CG1 3.91Å; I25-L59 HydrophobicContact CD1-CD1 3.7Å; I25-L59 HydrophobicContact CG1-CD1 4.04Å; I25-L59 HydrophobicContact CG2-CD1 3.98Å; I25-I62 HydrophobicContact CG2-CD1 4.35Å
26Y94.5Very high93.7Very high48 Ų4863.4 Ų63.419%0.18835%0.346CS..EExtended strand (participates in β ladder)trans-127148.2178.8-68.4-82.7000112.4S16 A17 W19 D22 C24 A28 Y47S16-Y26 WeakPolarHBondContact CA-O 3.23Å; A17-Y26 PolarHBondContact N-O 2.95Å; A17-Y26 PolarHBondContact O-N 3.23Å; W19-Y26 HydrophobicContact CB-CD2 3.6Å; W19-Y26 HydrophobicContact CB-CE2 3.83Å; W19-Y26 HydrophobicContact CD2-CE2 4.43Å; W19-Y26 HydrophobicContact CE3-CD2 4.31Å; W19-Y26 AromaticContact CE3-CE2 3.71Å; W19-Y26 HydrophobicContact CE3-CE2 3.71Å; W19-Y26 HydrophobicContact CG-CD2 4.49Å; D22-Y26 WeakPolarHBondContact OD1-CE2 3.4Å; D22-Y26 VanDerWaalsContact OD2-CE2 3.3Å; D22-Y26 WeakPolarHBondContact OD2-CE2 3.26Å; D22-Y26 PolarHBondContact OD2-OH 2.97Å; C24-Y26 HydrophobicContact CB-CD2 4.34Å; C24-Y26 HydrophobicContact CB-CE2 3.54Å; C24-Y26 VanDerWaalsContact O-CD2 3.26Å; C24-Y26 WeakPolarHBondContact O-CD2 3.3Å; Y26-A28 PolarHBondContact O-N 3.07Å; Y26-Y47 HydrophobicContact CD1-CE2 4.08Å; Y26-Y47 HydrophobicContact CE1-CE2 4.25Å
27P95.6Very high93.5Very high66 Ų6670.9 Ų70.943%0.42937%0.374SS..EExtended strand (participates in β ladder)trans-66.6129.4173.627.3-33.2000110.2T45P27-T45 VanDerWaalsContact O-CB 3.3Å; P27-T45 WeakPolarHBondContact O-CB 3.17Å; P27-T45 PolarHBondContact O-N 3.21Å; P27-T45 PolarHBondContact O-OG1 3.25Å
28A96.3Very high93.3Very high2 Ų276.7 Ų76.72%0.01740%0.401CS..EExtended strand (participates in β ladder)trans-137.3166.2-177.400000111.8C15 A17 Y26 V42 V43 Y44C15-A28 PolarHBondContact N-O 2.64Å; C15-A28 PolarHBondContact O-N 3.39Å; C15-A28 PolarHBondContact SG-O 2.91Å; A17-A28 HydrophobicContact CB-CB 4.42Å; Y26-A28 PolarHBondContact O-N 3.07Å; A28-V42 HydrophobicContact CB-CB 3.95Å; A28-V42 HydrophobicContact CB-CG2 4.26Å; A28-V43 CarbonylContact C-O 3.55Å; A28-V43 VanDerWaalsContact CA-O 3.22Å; A28-V43 WeakPolarHBondContact CA-O 3.3Å; A28-V43 WeakPolarHBondContact CB-O 3.33Å; A28-Y44 HydrophobicContact CB-CD1 4.1Å; A28-Y44 HydrophobicContact CB-CE1 4.47Å
29T96.8Very high93.3Very high50 Ų5074.3 Ų74.331%0.30739%0.389SS..EExtended strand (participates in β ladder)trans-124.5133.3174.3-54.80000109.5D13 A31 V42 V43D13-T29 WeakPolarHBondContact O-CA 3.2Å; T29-A31 PolarHBondContact O-N 2.96Å; T29-V42 CarbonylContact O-C 3.52Å; T29-V42 WeakPolarHBondContact O-CA 3.3Å; T29-V43 PolarHBondContact N-O 3.34Å; T29-V43 PolarHBondContact O-N 2.97Å
30I97Very high93.5Very high2 Ų272.2 Ų72.21%0.0138%0.381CS..EExtended strand (participates in β ladder)trans-68.6117.6178.1-56.2-177000109.2W9 G12 D13 I33 C40 V42 L58W9-I30 HydrophobicContact CB-CD1 3.72Å; W9-I30 HydrophobicContact CD2-CD1 3.82Å; W9-I30 HydrophobicContact CE3-CD1 3.52Å; W9-I30 HydrophobicContact CG-CD1 3.95Å; W9-I30 HydrophobicContact CZ3-CD1 4.33Å; G12-I30 PolarHBondContact N-O 2.95Å; D13-I30 HydrophobicContact CB-CD1 4.08Å; D13-I30 HydrophobicContact CB-CG1 4.44Å; D13-I30 PolarHBondContact O-N 3.07Å; I30-I33 HydrophobicContact CG2-CD1 4.01Å; I30-I33 HydrophobicContact CG2-CG1 3.58Å; I30-C40 HydrophobicContact CG2-CB 4.19Å; I30-V42 HydrophobicContact CG1-CG1 4.49Å; I30-L58 HydrophobicContact CD1-CD1 3.6Å; I30-L58 HydrophobicContact CG1-CD1 4.13Å
31A97.1Very high93.7Very high36 Ų3668.9 Ų68.930%0.29836%0.357SS..EExtended strand (participates in β ladder)trans-93.9-34.2-179.700000113.1V11 T29 V41 V43V11-A31 VanDerWaalsContact CG1-O 3.28Å; V11-A31 WeakPolarHBondContact CG1-O 3.34Å; T29-A31 PolarHBondContact O-N 2.96Å; A31-V41 WeakPolarHBondContact CA-O 3.29Å; A31-V41 WeakPolarHBondContact CB-O 3.2Å; A31-V41 PolarHBondContact N-O 2.87Å; A31-V43 HydrophobicContact CB-CG2 3.67Å
32S96.6Very high94.1Very high40 Ų4061.5 Ų61.528%0.2832%0.323SS..EExtended strand (participates in β ladder)trans-154.4155.8174.857.70000110.8C40 V41S32-C40 CarbonylContact O-C 3.51Å; S32-C40 VanDerWaalsContact O-CA 3.23Å; S32-C40 WeakPolarHBondContact O-CA 3.44Å; S32-C40 VanDerWaalsContact O-CB 3.3Å; S32-C40 WeakPolarHBondContact O-CB 3.46Å; S32-V41 PolarHBondContact N-O 2.81Å; S32-V41 PolarHBondContact O-N 2.83Å; S32-V41 WeakPolarHBondContact OG-CB 3.22Å; S32-V41 WeakPolarHBondContact OG-CG2 3.45Å
33I95.6Very high94.5Very high22 Ų2260.1 Ų60.111%0.11332%0.317CS..EExtended strand (participates in β ladder)trans-128.8131.8178.8-61.3176.7000109.2W9 K10 V11 I30 F35 C40 L55W9-I33 HydrophobicContact CB-CD1 4.25Å; W9-I33 VanDerWaalsContact O-CD1 3.26Å; W9-I33 WeakPolarHBondContact O-CD1 3.46Å; K10-I33 VanDerWaalsContact CA-CD1 3.5Å; V11-I33 HydrophobicContact CG2-CD1 4.33Å; V11-I33 HydrophobicContact CG2-CG1 4.07Å; I30-I33 HydrophobicContact CG2-CD1 4.01Å; I30-I33 HydrophobicContact CG2-CG1 3.58Å; I33-F35 HydrophobicContact CB-CE2 4.41Å; I33-F35 HydrophobicContact CB-CZ 4.32Å; I33-F35 HydrophobicContact CG2-CD1 3.9Å; I33-F35 HydrophobicContact CG2-CD2 4.21Å; I33-F35 HydrophobicContact CG2-CE1 3.69Å; I33-F35 HydrophobicContact CG2-CE2 4.02Å; I33-F35 HydrophobicContact CG2-CG 4.15Å; I33-F35 HydrophobicContact CG2-CZ 3.76Å; I33-C40 HydrophobicContact CG1-CB 4.17Å; I33-L55 HydrophobicContact CG1-CD2 4.45Å; I33-L55 HydrophobicContact CG2-CD1 3.94Å; I33-L55 HydrophobicContact CG2-CD2 4.17Å
34D94Very high94.8Very high71 Ų7157.9 Ų57.938%0.3829%0.293SS..EExtended strand (participates in β ladder)trans-111.383.6176.7-71.7-69000110K36 R37 E38 T39D34-K36 PolarHBondContact O-N 3.16Å; D34-R37 PolarHBondContact O-N 2.79Å; D34-E38 PolarHBondContact O-N 3.28Å; D34-T39 PolarHBondContact N-O 2.95Å; D34-T39 PolarHBondContact O-N 3.37Å
35F90.5Very high94.9Very high154 Ų15458.7 Ų58.768%0.67530%0.296SS*.THydrogen-bonded Turntrans-57.1-20.5-178.6-62-74.8000114.5I33I33-F35 HydrophobicContact CB-CE2 4.41Å; I33-F35 HydrophobicContact CB-CZ 4.32Å; I33-F35 HydrophobicContact CG2-CD1 3.9Å; I33-F35 HydrophobicContact CG2-CD2 4.21Å; I33-F35 HydrophobicContact CG2-CE1 3.69Å; I33-F35 HydrophobicContact CG2-CE2 4.02Å; I33-F35 HydrophobicContact CG2-CG 4.15Å; I33-F35 HydrophobicContact CG2-CZ 3.76Å
36K91.7Very high94.9Very high212 Ų21258.5 Ų58.592%0.92232%0.316SS*.THydrogen-bonded Turntrans-73.8-33.9177.1-66.1-177.1-179.3-177.50113.2D34D34-K36 PolarHBondContact O-N 3.16Å
37R89.9Confident94.8Very high157 Ų15762.5 Ų62.559%0.59233%0.331SS*.THydrogen-bonded Turntrans-103.7-4.7-177.1-61.6-178.678.4-140.8-2.7111.7D34 T39 E52D34-R37 PolarHBondContact O-N 2.79Å; R37-T39 HydrophobicContact CB-CG2 4.19Å; R37-T39 PolarHBondContact O-N 3.47Å; R37-E52 IonicContact CZ-OE1 3.62Å; R37-E52 VanDerWaalsContact NH1-CD 3.31Å; R37-E52 IonicContact NH1-OE1 2.86Å; R37-E52 PolarHBondContact NH1-OE1 3.05Å; R37-E52 IonicContact NH1-OE2 2.98Å; R37-E52 PolarHBondContact NH1-OE2 2.92Å; R37-E52 IonicContact NH2-OE1 3.63Å
38E91.6Very high94.6Very high124 Ų12461.6 Ų61.658%0.57934%0.335SS*.THydrogen-bonded Turntrans55.629.8-171.6-60.2-179.8165.200112.5D34 N54 L55D34-E38 PolarHBondContact O-N 3.28Å; E38-N54 PolarHBondContact O-OD1 3.43Å; E38-L55 WeakPolarHBondContact O-CB 3.31Å; E38-L55 WeakPolarHBondContact O-CG 3.34Å; E38-L55 PolarHBondContact O-N 2.94Å
39T94.9Very high94.5Very high16 Ų1665 Ų6510%0.09835%0.352CS..EExtended strand (participates in β ladder)trans-111.2163.4178.158.80000111.1D34 R37 E52 Q53D34-T39 PolarHBondContact N-O 2.95Å; D34-T39 PolarHBondContact O-N 3.37Å; R37-T39 HydrophobicContact CB-CG2 4.19Å; R37-T39 PolarHBondContact O-N 3.47Å; T39-E52 HydrophobicContact CG2-CG 4.26Å; T39-Q53 CarbonylContact C-O 3.52Å; T39-Q53 VanDerWaalsContact CA-O 3.3Å; T39-Q53 WeakPolarHBondContact CA-O 3.43Å
40C96Very high94.5Very high0 Ų069.8 Ų69.80%037%0.365CS..EExtended strand (participates in β ladder)trans-139.7159.9172.767.60000109.9I30 S32 I33 E52 Q53 L55 L58I30-C40 HydrophobicContact CG2-CB 4.19Å; S32-C40 CarbonylContact O-C 3.51Å; S32-C40 VanDerWaalsContact O-CA 3.23Å; S32-C40 WeakPolarHBondContact O-CA 3.44Å; S32-C40 VanDerWaalsContact O-CB 3.3Å; S32-C40 WeakPolarHBondContact O-CB 3.46Å; I33-C40 HydrophobicContact CG1-CB 4.17Å; C40-E52 CarbonylContact O-C 3.51Å; C40-E52 VanDerWaalsContact O-CA 3.32Å; C40-E52 WeakPolarHBondContact O-CA 3.35Å; C40-Q53 PolarHBondContact N-O 3.46Å; C40-Q53 PolarHBondContact O-N 3.19Å; C40-L55 HydrophobicContact CB-CD2 3.68Å; C40-L55 HydrophobicContact CB-CG 4.35Å; C40-L58 VanDerWaalsContact SG-CD1 3.59Å
41V97.3Very high94.4Very high21 Ų2171.6 Ų71.613%0.12737%0.373CS..EExtended strand (participates in β ladder)trans-104.1122.8168.3-178.20000107.9A31 S32 R50 E51A31-V41 WeakPolarHBondContact CA-O 3.29Å; A31-V41 WeakPolarHBondContact CB-O 3.2Å; A31-V41 PolarHBondContact N-O 2.87Å; S32-V41 PolarHBondContact N-O 2.81Å; S32-V41 PolarHBondContact O-N 2.83Å; S32-V41 WeakPolarHBondContact OG-CB 3.22Å; S32-V41 WeakPolarHBondContact OG-CG2 3.45Å; V41-R50 HydrophobicContact CG1-CB 4.02Å; V41-E51 CarbonylContact C-O 3.58Å; V41-E51 VanDerWaalsContact CA-O 3.31Å; V41-E51 WeakPolarHBondContact CA-O 3.26Å
42V97.3Very high94.4Very high0 Ų074.3 Ų74.30%038%0.38CS..EExtended strand (participates in β ladder)trans-101.8151174.9-61.20000110.8A17 A28 T29 I30 Y44 R50 E51 Q53 L58A17-V42 HydrophobicContact CB-CG2 4.13Å; A28-V42 HydrophobicContact CB-CB 3.95Å; A28-V42 HydrophobicContact CB-CG2 4.26Å; T29-V42 CarbonylContact O-C 3.52Å; T29-V42 WeakPolarHBondContact O-CA 3.3Å; I30-V42 HydrophobicContact CG1-CG1 4.49Å; V42-Y44 HydrophobicContact CG2-CE2 4.32Å; V42-R50 VanDerWaalsContact O-CA 3.22Å; V42-R50 WeakPolarHBondContact O-CA 3.27Å; V42-E51 PolarHBondContact N-O 2.69Å; V42-E51 PolarHBondContact O-N 3.08Å; V42-Q53 HydrophobicContact CG2-CG 3.78Å; V42-L58 HydrophobicContact CG1-CD2 3.74Å
43V97.8Very high94.3Very high42 Ų4273.9 Ų73.926%0.25537%0.373SS..EExtended strand (participates in β ladder)trans-112.1120.8170178.40000108A28 T29 A31 T45 N49 R50A28-V43 CarbonylContact C-O 3.55Å; A28-V43 VanDerWaalsContact CA-O 3.22Å; A28-V43 WeakPolarHBondContact CA-O 3.3Å; A28-V43 WeakPolarHBondContact CB-O 3.33Å; T29-V43 PolarHBondContact N-O 3.34Å; T29-V43 PolarHBondContact O-N 2.97Å; A31-V43 HydrophobicContact CB-CG2 3.67Å; V43-T45 PolarHBondContact O-N 3.4Å; V43-N49 WeakPolarHBondContact CA-O 3.3Å; V43-R50 HydrophobicContact CG2-CG 3.78Å
44Y96.3Very high94.2Very high3 Ų375.5 Ų75.51%0.01238%0.382CS..EExtended strand (participates in β ladder)trans-71.7127.5178.1-66.5-79.5000111.1A17 I18 W19 A28 V42 G46 Y47 G48 N49 E51A17-Y44 HydrophobicContact CB-CE1 4.07Å; I18-Y44 PolarHBondContact O-OH 3.1Å; W19-Y44 WeakPolarHBondContact CA-OH 3.47Å; W19-Y44 HydrophobicContact CB-CE1 4.14Å; W19-Y44 AromaticContact CD1-CE2 3.85Å; W19-Y44 HydrophobicContact CG-CE2 4.4Å; A28-Y44 HydrophobicContact CB-CD1 4.1Å; A28-Y44 HydrophobicContact CB-CE1 4.47Å; V42-Y44 HydrophobicContact CG2-CE2 4.32Å; Y44-G46 PolarHBondContact O-N 2.88Å; Y44-Y47 PolarHBondContact O-N 2.95Å; Y44-G48 PolarHBondContact O-N 2.82Å; Y44-N49 HydrophobicContact CD2-CB 4.12Å; Y44-N49 WeakPolarHBondContact CD2-O 3.47Å; Y44-N49 PolarHBondContact N-O 3.16Å; Y44-E51 HydrophobicContact CE2-CB 3.87Å
45T94.2Very high94.1Very high77 Ų7773.4 Ų73.447%0.47237%0.371SS..THydrogen-bonded Turntrans-65.9131.9-178.8-48.40000109.4P27 V43 Y47P27-T45 VanDerWaalsContact O-CB 3.3Å; P27-T45 WeakPolarHBondContact O-CB 3.17Å; P27-T45 PolarHBondContact O-N 3.21Å; P27-T45 PolarHBondContact O-OG1 3.25Å; V43-T45 PolarHBondContact O-N 3.4Å; T45-Y47 VanDerWaalsContact C-N 3.25Å; T45-Y47 WeakPolarHBondContact O-CD2 3.15Å; T45-Y47 PolarHBondContact O-N 3.48Å
46G91.7Very high94.1Very high85 Ų8570.6 Ų70.688%0.87637%0.37SS*.THydrogen-bonded Turntrans86.2-27-179.400000115Y44Y44-G46 PolarHBondContact O-N 2.88Å
47Y92.1Very high94Very high132 Ų13265 Ų6552%0.51835%0.35SS..THydrogen-bonded Turntrans-102.3-35179.8-58.5-81.9000113.2Y26 Y44 T45 N49Y26-Y47 HydrophobicContact CD1-CE2 4.08Å; Y26-Y47 HydrophobicContact CE1-CE2 4.25Å; Y44-Y47 PolarHBondContact O-N 2.95Å; T45-Y47 VanDerWaalsContact C-N 3.25Å; T45-Y47 WeakPolarHBondContact O-CD2 3.15Å; T45-Y47 PolarHBondContact O-N 3.48Å; Y47-N49 PolarHBondContact O-N 2.87Å
48G91.8Very high94Very high48 Ų4858.2 Ų58.250%0.49533%0.326SS..  trans76.2-2.4-177.100000114.7Y44Y44-G48 PolarHBondContact O-N 2.82Å
49N94.8Very high94Very high72 Ų7255.7 Ų55.739%0.38532%0.316SS..  trans-60.1142.7172.9-62.8-26.4000110.4V43 Y44 Y47V43-N49 WeakPolarHBondContact CA-O 3.3Å; Y44-N49 HydrophobicContact CD2-CB 4.12Å; Y44-N49 WeakPolarHBondContact CD2-O 3.47Å; Y44-N49 PolarHBondContact N-O 3.16Å; Y47-N49 PolarHBondContact O-N 2.87Å
50R95.7Very high93.8Very high152 Ų15257.5 Ų57.557%0.57433%0.329SS*.EExtended strand (participates in β ladder)trans-118.5133.3-179.4-55.4-175.774.8-1224.6110.4V41 V42 V43V41-R50 HydrophobicContact CG1-CB 4.02Å; V42-R50 VanDerWaalsContact O-CA 3.22Å; V42-R50 WeakPolarHBondContact O-CA 3.27Å; V43-R50 HydrophobicContact CG2-CG 3.78Å
51E95.6Very high93.3Very high39 Ų3960.2 Ų60.218%0.18235%0.347CS..EExtended strand (participates in β ladder)trans-140143.3-177.9-169.3168.9150.200111.8S20 V41 V42 Y44 Q53S20-E51 WeakPolarHBondContact CB-OE1 3.42Å; S20-E51 PolarHBondContact OG-OE1 2.8Å; S20-E51 PolarHBondContact OG-OE2 3.25Å; V41-E51 CarbonylContact C-O 3.58Å; V41-E51 VanDerWaalsContact CA-O 3.31Å; V41-E51 WeakPolarHBondContact CA-O 3.26Å; V42-E51 PolarHBondContact N-O 2.69Å; V42-E51 PolarHBondContact O-N 3.08Å; Y44-E51 HydrophobicContact CE2-CB 3.87Å; E51-Q53 PolarHBondContact OE1-NE2 3.03Å
52E96.4Very high92.4Very high94 Ų9464.8 Ų64.844%0.43937%0.369SS..EExtended strand (participates in β ladder)trans-79.9121.4172.5-178.5170.8103.800109.2R37 T39 C40R37-E52 IonicContact CZ-OE1 3.62Å; R37-E52 VanDerWaalsContact NH1-CD 3.31Å; R37-E52 IonicContact NH1-OE1 2.86Å; R37-E52 PolarHBondContact NH1-OE1 3.05Å; R37-E52 IonicContact NH1-OE2 2.98Å; R37-E52 PolarHBondContact NH1-OE2 2.92Å; R37-E52 IonicContact NH2-OE1 3.63Å; T39-E52 HydrophobicContact CG2-CG 4.26Å; C40-E52 CarbonylContact O-C 3.51Å; C40-E52 VanDerWaalsContact O-CA 3.32Å; C40-E52 WeakPolarHBondContact O-CA 3.35Å
53Q95.4Very high90.7Very high30 Ų3068.9 Ų68.914%0.1440%0.397CS..EExtended strand (participates in β ladder)trans-125.8153.2-178.3-69.1-66.1-21.300110.4A17 I18 T39 C40 V42 E51 L58A17-Q53 HydrophobicContact CB-CG 4.32Å; I18-Q53 PolarHBondContact O-NE2 2.9Å; I18-Q53 VanDerWaalsContact O-NE2 3.16Å; T39-Q53 CarbonylContact C-O 3.52Å; T39-Q53 VanDerWaalsContact CA-O 3.3Å; T39-Q53 WeakPolarHBondContact CA-O 3.43Å; C40-Q53 PolarHBondContact N-O 3.46Å; C40-Q53 PolarHBondContact O-N 3.19Å; V42-Q53 HydrophobicContact CG2-CG 3.78Å; E51-Q53 PolarHBondContact OE1-NE2 3.03Å; Q53-L58 HydrophobicContact CB-CD2 4.37Å
54N93.9Very high88.6Confident57 Ų5776.2 Ų76.231%0.30543%0.429SS..EExtended strand (participates in β ladder)trans-75.1137172.2-165.6-49.9000110E38 S56 D57 L58E38-N54 PolarHBondContact O-OD1 3.43Å; N54-S56 PolarHBondContact O-N 2.84Å; N54-S56 WeakPolarHBondContact OD1-CB 3.46Å; N54-S56 PolarHBondContact OD1-N 2.86Å; N54-S56 PolarHBondContact OD1-OG 3.42Å; N54-D57 HydrophobicContact CB-CB 4.12Å; N54-D57 VanDerWaalsContact CB-OD2 3.31Å; N54-D57 WeakPolarHBondContact CB-OD2 3.33Å; N54-D57 PolarHBondContact O-N 2.84Å; N54-D57 VanDerWaalsContact O-N 3.1Å; N54-L58 PolarHBondContact O-N 2.96Å
55L91.1Very high86.3Confident27 Ų2780 Ų8014%0.14145%0.452CS..THydrogen-bonded Turntrans-59.5-29.1176.2-72.5170.7000112.9W9 I33 E38 C40 L58W9-L55 HydrophobicContact CB-CD2 3.97Å; W9-L55 HydrophobicContact CG-CD2 4.27Å; W9-L55 PolarHBondContact NE1-O 3.47Å; W9-L55 VanDerWaalsContact NE1-O 3.16Å; I33-L55 HydrophobicContact CG1-CD2 4.45Å; I33-L55 HydrophobicContact CG2-CD1 3.94Å; I33-L55 HydrophobicContact CG2-CD2 4.17Å; E38-L55 WeakPolarHBondContact O-CB 3.31Å; E38-L55 WeakPolarHBondContact O-CG 3.34Å; E38-L55 PolarHBondContact O-N 2.94Å; C40-L55 HydrophobicContact CB-CD2 3.68Å; C40-L55 HydrophobicContact CB-CG 4.35Å; L55-L58 HydrophobicContact CD2-CD1 4.29Å
56S90Very high84Confident94 Ų9480.4 Ų80.466%0.65746%0.463SS*.THydrogen-bonded Turntrans-76.7-23.8179-52.90000113.2N54N54-S56 PolarHBondContact O-N 2.84Å; N54-S56 WeakPolarHBondContact OD1-CB 3.46Å; N54-S56 PolarHBondContact OD1-N 2.86Å; N54-S56 PolarHBondContact OD1-OG 3.42Å
57D90.4Very high81.7Confident95 Ų9583.6 Ų83.651%0.50846%0.46SS..THydrogen-bonded Turntrans-93.4-9.3-177.9-62.4-24.1000112.1N54 L59N54-D57 HydrophobicContact CB-CB 4.12Å; N54-D57 VanDerWaalsContact CB-OD2 3.31Å; N54-D57 WeakPolarHBondContact CB-OD2 3.33Å; N54-D57 PolarHBondContact O-N 2.84Å; N54-D57 VanDerWaalsContact O-N 3.1Å; D57-L59 PolarHBondContact O-N 3Å
58L90.9Very high79.4Confident14 Ų1483.1 Ų83.17%0.07347%0.466CS..PPolyproline II helixtrans-64.6133.5174.2-74.9-178.4000111.2W9 C15 A17 I30 C40 V42 Q53 N54 L55W9-L58 HydrophobicContact CD2-CD1 3.89Å; W9-L58 HydrophobicContact CE3-CD1 4.48Å; W9-L58 HydrophobicContact CG-CD1 3.99Å; W9-L58 HydrophobicContact CH2-CB 4.4Å; W9-L58 HydrophobicContact CZ2-CB 3.58Å; W9-L58 HydrophobicContact CZ2-CD1 4.34Å; C15-L58 HydrophobicContact CB-CD2 4.35Å; A17-L58 HydrophobicContact CB-CD2 4.22Å; I30-L58 HydrophobicContact CD1-CD1 3.6Å; I30-L58 HydrophobicContact CG1-CD1 4.13Å; C40-L58 VanDerWaalsContact SG-CD1 3.59Å; V42-L58 HydrophobicContact CG1-CD2 3.74Å; Q53-L58 HydrophobicContact CB-CD2 4.37Å; N54-L58 PolarHBondContact O-N 2.96Å; L55-L58 HydrophobicContact CD2-CD1 4.29Å
59L91.4Very high77.5Confident71 Ų7188.7 Ų88.737%0.37248%0.483SS..BIsolated β-bridgetrans-96.4148.5177.2-54.7174.5000109.8W9 S16 I25 D57W9-L59 WeakPolarHBondContact CH2-O 3.37Å; S16-L59 PolarHBondContact N-O 2.86Å; S16-L59 WeakPolarHBondContact O-CB 3.47Å; S16-L59 PolarHBondContact O-N 2.94Å; I25-L59 HydrophobicContact CD1-CD1 3.7Å; I25-L59 HydrophobicContact CG1-CD1 4.04Å; I25-L59 HydrophobicContact CG2-CD1 3.98Å; D57-L59 PolarHBondContact O-N 3Å
60S89.1Confident75.3Confident55 Ų5594.2 Ų94.239%0.38551%0.507SS..PPolyproline II helixtrans-53.6143.9169.2-65.80000110.4Q7 I62Q7-S60 PolarHBondContact OE1-OG 3.33Å; S60-I62 PolarHBondContact O-N 3.24Å
61P87.5Confident73Confident56 Ų5695.8 Ų95.836%0.36452%0.52SS..PPolyproline II helixtrans-57.7130.5178.823.3-31.5000109.2K14 C63K14-P61 HydrophobicContact CB-CB 3.95Å; K14-P61 HydrophobicContact CB-CG 4.42Å; K14-P61 WeakPolarHBondContact O-CB 3.5Å; K14-P61 WeakPolarHBondContact O-CD 3.37Å; K14-P61 VanDerWaalsContact O-CG 3.3Å; K14-P61 WeakPolarHBondContact O-CG 3.46Å; P61-C63 PolarHBondContact O-N 3Å
62I77.1Confident70.3Confident117 Ų117100.7 Ų100.760%0.655%0.548SS*.  trans-62.5111.6170.7-63158.9000105.7S16 I25 S60 E64S16-I62 WeakPolarHBondContact OG-CG1 3.22Å; S16-I62 PolarHBondContact OG-N 2.82Å; I25-I62 HydrophobicContact CG2-CD1 4.35Å; S60-I62 PolarHBondContact O-N 3.24Å; I62-E64 PolarHBondContact O-N 3.03Å
63C61.1Low67.9Low87 Ų87101.1 Ų101.159%0.58857%0.567SS**  trans-66.3129.6171.884.60000107P61 V65P61-C63 PolarHBondContact O-N 3Å; C63-V65 HydrophobicContact CB-CG2 4.29Å; C63-V65 PolarHBondContact O-N 2.98Å; C63-V65 WeakPolarHBondContact SG-CB 3.48Å
64E55.3Low65.5Low196 Ų196107.9 Ų107.992%0.91660%0.599SS**SBendtrans-69.848.1167.9-77.9178146.600110.6I62I62-E64 PolarHBondContact O-N 3.03Å
65V46.3Very low63Low83 Ų83113 Ų11350%0.50362%0.621SS.*  trans-106.561.5167.7-172.10000107.5C63 N68C63-V65 HydrophobicContact CB-CG2 4.29Å; C63-V65 PolarHBondContact O-N 2.98Å; C63-V65 WeakPolarHBondContact SG-CB 3.48Å; V65-N68 HydrophobicContact CG1-CB 4.26Å
66A46.1Very low60.5Low85 Ų85117.4 Ų117.470%0.70265%0.645SS**  trans-114.735.3165.900000110.8
67N44.8Very low58.3Low152 Ų152122.2 Ų122.281%0.81366%0.657SS**SBendtrans-135.918.3167.3-73.7-39.6000113
68N41.9Very low55.8Low121 Ų121124.2 Ų124.265%0.64767%0.667SS**  trans-139.426.7177.4-66.7-58.1000113.9V65 E70V65-N68 HydrophobicContact CG1-CB 4.26Å; N68-E70 PolarHBondContact O-N 2.95Å
69I52.7Low53.2Low166 Ų166131.5 Ų131.585%0.85170%0.701SS**THydrogen-bonded Turntrans-9071.2162-54.5178.1000107.6
70E49.1Very low50.6Low188 Ų188133.9 Ų133.988%0.87972%0.724SS**THydrogen-bonded Turntrans-143.50.6143-156.9152.5-154.800112.6N68N68-E70 PolarHBondContact O-N 2.95Å
71Q47.9Very low48.2Very low185 Ų185139.6 Ų139.686%0.86474%0.744SS**SBendtrans-147.776.5173.5-69.7-174-4.100112
72N37.3Very low45.6Very low141 Ų141143.6 Ų143.675%0.75477%0.768SS**  trans-164.573.1144-163.70.9000110.7Q74N72-Q74 PolarHBondContact OD1-N 3.11Å; N72-Q74 VanDerWaalsContact OD1-N 3.1Å
73A47.5Very low43.9Very low103 Ų103142.7 Ų142.785%0.85177%0.772SS**  trans-99.581.8146.800000106.6
74Q43.8Very low42.8Very low172 Ų172144.4 Ų144.480%0.80478%0.78SS**  trans-149.793.8147.5-153.7149.2-51.900110.4N72N72-Q74 PolarHBondContact OD1-N 3.11Å; N72-Q74 VanDerWaalsContact OD1-N 3.1Å
75E42.5Very low41.8Very low165 Ų165141.5 Ų141.577%0.77177%0.77SS**  trans-53.2156.2156.4-167.5168.8-167.100110.7
76N38.3Very low41.9Very low119 Ų119145.5 Ų145.564%0.63678%0.784SS**  trans-43.4155-178.259.169000116.5
77E43.9Very low41.8Very low196 Ų196147.2 Ų147.292%0.91679%0.79SS**  trans-59.2116.9178.7-159.9-179.2177.600113.3
78N37.1Very low41.6Very low136 Ų136148.6 Ų148.673%0.72779%0.792SS**  trans-161.8133.5139.659.796.8000112
79E37.2Very low41.2Very low168 Ų168150.2 Ų150.279%0.78580%0.8SS**  trans5.9116.7167.7-72.3-159.19600120.1
80S35Very low40.1Very low120 Ų120147.1 Ų147.184%0.83979%0.793SS**  -164.3135.799.655.20000110.8
81Q40.7Very low39.5Very low175 Ų175149.5 Ų149.582%0.81879%0.794SS**  trans-77.6127.1179.7-22.5-109.8-54.400107.2
82V32.8Very low39.1Very low141 Ų141145.6 Ų145.686%0.85579%0.788SS**  trans-146.7111.3145.375.70000110.2
83S40.6Very low39.6Very low98 Ų98145.1 Ų145.169%0.68579%0.792SS**  trans-43.2148.1166.1165.30000112.6
84T37.2Very low38.7Very low123 Ų123143.6 Ų143.676%0.75579%0.786SS**  177.1117.8103.1-59.20000112
85D35.9Very low38.1Very low134 Ų134142.7 Ų142.772%0.71779%0.787SS**  trans54.1116138.7-156.8-129.8000121
86E47.8Very low37.9Very low168 Ų168143.9 Ų143.979%0.78579%0.789SS**  trans-72135167.3-35.2-84.991.600109.4
87S43.4Very low38.1Very low120 Ų120142.8 Ų142.884%0.83979%0.791SS**  trans-143.6131.3155.2-1100000113.6
88E41.8Very low37.9Very low182 Ų182140.3 Ų140.385%0.8578%0.784SS**  trans-108.6120.3-162.618173.1105.400108.2
89N32.2Very low38.3Very low154 Ų154141.1 Ų141.182%0.82479%0.788SS**  trans-165.6120.3163.9-159.125.4000107.3
90S31.2Very low38.8Very low101 Ų101140.4 Ų140.471%0.70679%0.789SS**  -170.6143.759.3-46.50000110.3
91R35.9Very low39.1Very low239 Ų239142.5 Ų142.590%0.90278%0.783SS**  trans-72.3139.9171.1179.8175.1-84.9165.8-5.9111.2
92S39.7Very low39Very low103 Ų103139.8 Ų139.872%0.7278%0.78SS**  trans-45.5177.416844.70000115.8
93P48.1Very low39.5Very low131 Ų131142.3 Ų142.385%0.85178%0.78SS**  cis-147.217619.140.5-18.7000117.6
94G27.2Very low39.5Very low70 Ų70142.7 Ų142.772%0.72278%0.782SS**  trans161.195.3158.400000120.7
95N32.3Very low40.1Very low154 Ų154140.4 Ų140.482%0.82478%0.776SS**  trans54.2122.4135.2-64.6-5.6000125.6
96K37.3Very low40.5Very low189 Ų189138.4 Ų138.482%0.82277%0.77SS**  trans85.3125.6131.1-78.1-179.3174.8177.70122
97S43.9Very low40.3Very low97 Ų97141.1 Ų141.168%0.67877%0.773SS**  trans45.2128.9150.974.20000118.2
98D39.8Very low40.6Very low143 Ų143141 Ų14177%0.76576%0.763SS**  -153.7153.169.9-77.6-45.7000114.5I100D98-I100 PolarHBondContact O-N 3.06Å; D98-I100 VanDerWaalsContact O-N 3.14Å
99N45.5Very low41Very low153 Ų153137.8 Ų137.882%0.81876%0.761SS**  trans-70.894.3177-164.5-88.8000110.2
100I45.9Very low42.1Very low154 Ų154138.8 Ų138.879%0.7976%0.758SS**  trans-102.194.9165.1-56.1-172.1000108.6D98 P102D98-I100 PolarHBondContact O-N 3.06Å; D98-I100 VanDerWaalsContact O-N 3.14Å; I100-P102 WeakPolarHBondContact O-CD 3.45Å
101K41.6Very low43.3Very low163 Ų163140.1 Ų140.171%0.70976%0.757SS**  trans-55.6119.4165.3179.2159.4170.1174.60109.7K103K101-K103 PolarHBondContact O-N 2.57Å
102P39.8Very low44.4Very low119 Ų119134 Ų13477%0.77375%0.748SS**  trans-69.2103.8167.126.4-29000107.5I100 S104I100-P102 WeakPolarHBondContact O-CD 3.45Å; P102-S104 VanDerWaalsContact C-N 3.28Å; P102-S104 PolarHBondContact O-N 3.25Å
103K42.2Very low45.4Very low194 Ų194134.5 Ų134.584%0.84375%0.749SS**  trans-65.696.8160.5-95.2170.463.9-178.40106K101 A105K101-K103 PolarHBondContact O-N 2.57Å; K103-A105 PolarHBondContact O-N 2.91Å
104S41.7Very low45.6Very low105 Ų105133.9 Ų133.973%0.73475%0.745SS**  trans-55.2109.2162.544.80000107.8P102 P106P102-S104 VanDerWaalsContact C-N 3.28Å; P102-S104 PolarHBondContact O-N 3.25Å; S104-P106 VanDerWaalsContact O-CD 3.28Å; S104-P106 WeakPolarHBondContact O-CD 3.28Å
105A48.2Very low47.1Very low75 Ų75136 Ų13662%0.6275%0.746SS**  trans-72.9118.7157.900000106.3K103 W107K103-A105 PolarHBondContact O-N 2.91Å; A105-W107 PolarHBondContact O-N 3.31Å
106P45Very low48.6Very low92 Ų92134.7 Ų134.760%0.59775%0.746SS**  trans-70.1118.8173.3-16.832.6000108.2S104 N108S104-P106 VanDerWaalsContact O-CD 3.28Å; S104-P106 WeakPolarHBondContact O-CD 3.28Å; P106-N108 PolarHBondContact O-N 2.79Å
107W43.5Very low49.5Very low225 Ų225134.2 Ų134.285%0.85275%0.749SS**SBendtrans-66.938.1175.9-73.583.7000113.4A105A105-W107 PolarHBondContact O-N 3.31Å
108N49.7Very low49.8Very low118 Ų118135.6 Ų135.663%0.63176%0.755SS**  trans-103.53.7-170.8-69.5-31.7000113.9P106P106-N108 PolarHBondContact O-N 2.79Å
109S49.5Very low50.5Low114 Ų114131.4 Ų131.480%0.79775%0.746SS**THydrogen-bonded Turntrans-85.2-3.3-176.7-56.20000114.9
110F55.8Low50.6Low175 Ų175130.4 Ų130.477%0.76875%0.748SS**THydrogen-bonded Turntrans-103.72.1-179.6-66.8-72.2000114.3
111L56.9Low50.4Low130 Ų130134.8 Ų134.868%0.68176%0.755SS**SBendtrans-99.3125179.4-59.3179.8000109.8
112P58.2Low51Low109 Ų109135.5 Ų135.571%0.70877%0.765SS**PPolyproline II helixtrans-60.7145169.325.9-31.9000109.4
113P60.6Low51.1Low115 Ų115132.7 Ų132.775%0.74776%0.758SS**PPolyproline II helixtrans-60.3141.2-179.524.3-32.8000110.7
114P53.8Low51.4Low118 Ų118129.6 Ų129.677%0.76676%0.758SS**PPolyproline II helixtrans-62.7144.6177.225.5-32.8000110.7
115P58.7Low51.4Low114 Ų114128.2 Ų128.274%0.7476%0.76SS**PPolyproline II helixtrans-64.6148.8177.926.1-33.2000111.4M117P115-M117 PolarHBondContact O-N 3.46Å
116P62.2Low51.5Low127 Ų127134.6 Ų134.683%0.82577%0.774SS**PPolyproline II helixtrans-65.7121.1179.525.4-31.8000111
117M58.1Low51.4Low178 Ų178136.4 Ų136.488%0.87779%0.785SS**PPolyproline II helixtrans-64.2134.3170.7-100.3163.378.200110.5P115 G119P115-M117 PolarHBondContact O-N 3.46Å; M117-G119 PolarHBondContact O-N 2.78Å; M117-G119 VanDerWaalsContact O-N 3.11Å
118P48.4Very low51.4Low126 Ų126129.1 Ų129.182%0.81878%0.781SS**  trans-65.1111.5165.7-16.229.8000108.8
119G54.6Low51.5Low56 Ų56132 Ų13258%0.57780%0.795SS**  trans-61.4159.1178.300000112.7M117 R121M117-G119 PolarHBondContact O-N 2.78Å; M117-G119 VanDerWaalsContact O-N 3.11Å; G119-R121 PolarHBondContact O-N 3.23Å
120P48.6Very low51.8Low132 Ų132135.8 Ų135.886%0.85780%0.797SS**  trans-62.4111173.9-17.830.6000110L122P120-L122 PolarHBondContact O-N 3.1Å
121R41.8Very low51.6Low246 Ų246136.2 Ų136.293%0.92880%0.799SS**  trans-64100.9168.6-99.7-173.4180-97.72.9108.7G119 G123G119-R121 PolarHBondContact O-N 3.23Å; R121-G123 VanDerWaalsContact C-N 3.35Å; R121-G123 PolarHBondContact O-N 3Å; R121-G123 VanDerWaalsContact O-N 3.07Å
122L52.9Low51.4Low177 Ų177137.9 Ų137.993%0.92781%0.808SS**  trans-65.996.8155.1-79.5163.2000107.8P120P120-L122 PolarHBondContact O-N 3.1Å
123G43.3Very low51.7Low60 Ų60134.1 Ų134.162%0.61979%0.789SS**PPolyproline II helixtrans-92137.1168.500000110.7R121R121-G123 VanDerWaalsContact C-N 3.35Å; R121-G123 PolarHBondContact O-N 3Å; R121-G123 VanDerWaalsContact O-N 3.07Å
124P48Very low52.3Low130 Ų130134.2 Ų134.284%0.84479%0.79SS**PPolyproline II helixtrans-77.7140.2176.332.7-32.1000110.4
125G41.6Very low52.9Low76 Ų76134.3 Ų134.378%0.78479%0.791SS**PPolyproline II helixtrans-68.6164.1-171.700000116
126K49.4Very low53.4Low209 Ų209134.3 Ų134.391%0.90979%0.791SS**  trans-143.7149.8149.4-79.9-169.7173.2174.60110.7
127P43.8Very low54Low129 Ų129133.6 Ų133.684%0.83879%0.786SS**  trans-98.8143.1-166.427.4-12.6000113.4
128G43.4Very low54.8Low73 Ų73130.7 Ų130.775%0.75378%0.78SS**  trans94.7100.714800000117.2
129L51.6Low56Low177 Ų177130.1 Ų130.193%0.92778%0.777SS**  trans-151.4103.9136.5-98.3168.6000107.5F131L129-F131 PolarHBondContact O-N 3.44Å
130K55.1Low56.9Low195 Ų195132.9 Ų132.985%0.84879%0.785SS**  trans-71.497.3178.738.1-178.6171.1-177.20109.5
131F52.2Low57.8Low183 Ų183132 Ų13280%0.80378%0.779SS**  trans-92.5101.5168-172.6-102.2000108.3L129 G133L129-F131 PolarHBondContact O-N 3.44Å; F131-G133 PolarHBondContact O-N 3.48Å
132N52.8Low59.2Low165 Ų165125.4 Ų125.488%0.88277%0.768SS**  trans-80.863.6173.3-72.9-38.6000110.3
133G64.8Low59.2Low30 Ų30121.3 Ų121.331%0.30975%0.752SS.*SBendtrans-125.8157.2173.400000111.4F131F131-G133 PolarHBondContact O-N 3.48Å
134P72.9Confident59.7Low118 Ų118125.3 Ų125.377%0.76675%0.754SS**PPolyproline II helixtrans-56149.4174.423.4-32.1000110.8
135P66.5Low59.9Low119 Ų119126.7 Ų126.777%0.77375%0.754SS**PPolyproline II helixtrans-58.9141.5-175.324.7-33.9000110.9
136P69.5Low60.5Low114 Ų114131.2 Ų131.274%0.7476%0.759SS**PPolyproline II helixtrans-61.1147.2172.727.1-33.5000110
137P74.8Confident60.2Low113 Ų113125.9 Ų125.973%0.73475%0.748SS**PPolyproline II helixtrans-60.8151.417526.6-33.9000110.6
138P73.9Confident60.5Low116 Ų116125.2 Ų125.275%0.75375%0.745SS**PPolyproline II helixtrans-58.7145.4174.825.8-33.4000110.4
139P74.9Confident60.9Low115 Ų115133.5 Ų133.575%0.74775%0.754SS**PPolyproline II helixtrans-60.2147.217426.3-33.3000110.2
140P72.9Confident60.9Low114 Ų114132 Ų13274%0.7475%0.746SS**PPolyproline II helixtrans-59.2147174.125.9-33.4000110.2
141P67.9Low60.8Low114 Ų114127.3 Ų127.374%0.7474%0.735SS**PPolyproline II helixtrans-57.8143.5174.325-32.7000109.8
142P69.9Low60.9Low107 Ų107124.6 Ų124.670%0.69574%0.736SS**PPolyproline II helixtrans-55.7138.3177.1-19.529.5000110.2H144P142-H144 PolarHBondContact O-N 2.86Å
143P53.5Low61.1Low91 Ų91124.9 Ų124.959%0.59173%0.73SS**  trans-64.7104.3169.626.9-30.4000108.1L145P143-L145 PolarHBondContact O-N 3.28Å
144H53.8Low60.5Low144 Ų144128.3 Ų128.367%0.66775%0.747SS**  trans26.567.3151.151.7-88.5000115.9P142 L146P142-H144 PolarHBondContact O-N 2.86Å; H144-L146 PolarHBondContact O-N 2.77Å
145L53.2Low59.6Low158 Ų158129.1 Ų129.183%0.82776%0.755SS**THydrogen-bonded Turntrans-79.331169.7-68.7178.5000112.8P143P143-L145 PolarHBondContact O-N 3.28Å
146L54Low59.3Low171 Ų171125.9 Ų125.990%0.89574%0.744SS**THydrogen-bonded Turntrans-129.122.7176.1-66.7178.3000113.2H144H144-L146 PolarHBondContact O-N 2.77Å
147S42.5Very low58.8Low98 Ų98125.9 Ų125.969%0.68574%0.744SS**SBendtrans-100.913.2175.6-83.60000115.3
148C51.1Low57.9Low114 Ų114124.1 Ų124.177%0.7773%0.732SS**SBendtrans-126.418.6-170.6-60.60000116.9
149W50.6Low57.3Low247 Ų247125.4 Ų125.494%0.93673%0.731SS**SBendtrans-124.425.3179.1-85.666.1000114.9
150L52Low56.7Low145 Ų145124.1 Ų124.176%0.75972%0.717SS**SBendtrans-120.4119.5163.1-67.5173.5000108.1
151P53.3Low55.9Low97 Ų97122.3 Ų122.363%0.6371%0.705SS**  trans-59.2147.1169.926.6-31.5000108.4F153P151-F153 PolarHBondContact O-N 3.27Å
152P55Low55.5Low126 Ų126122.3 Ų122.382%0.81871%0.705SS**  trans-57.8114.6175.2-17.229000108.6P154P152-P154 WeakPolarHBondContact O-CD 3.43Å
153F57Low55.1Low171 Ų171120.8 Ų120.875%0.7570%0.696SS**  trans-64.9123.5168.6-79.1-85.5000107.3P151 S155P151-F153 PolarHBondContact O-N 3.27Å; F153-S155 PolarHBondContact O-N 3.03Å
154P50.9Low55.7Low102 Ų102120.7 Ų120.766%0.66270%0.695SS**  trans-63.8126.7176.825-31.3000108.9P152 G156P152-P154 WeakPolarHBondContact O-CD 3.43Å; P154-G156 VanDerWaalsContact C-N 3.32Å; P154-G156 PolarHBondContact O-N 3.2Å
155S53.4Low56.3Low136 Ų136120.2 Ų120.295%0.95170%0.704SS**SBendtrans-61.993.1170-55.20000109.4F153F153-S155 PolarHBondContact O-N 3.03Å
156G61.8Low56.7Low51 Ų51118.1 Ų118.153%0.52669%0.693SS.*SBendtrans-158.7163.8178.300000109.9P154P154-G156 VanDerWaalsContact C-N 3.32Å; P154-G156 PolarHBondContact O-N 3.2Å
157P57.9Low56.9Low114 Ų114115.8 Ų115.874%0.7469%0.689SS**SBendtrans-53.2146.8174.524.3-32.8000109.6I159P157-I159 PolarHBondContact O-N 3.23Å
158P55.6Low57.6Low76 Ų76116.6 Ų116.649%0.49469%0.693SS.*  trans-52.8114-173.921-32.3000110.1I160P158-I160 PolarHBondContact O-N 2.97Å
159I61Low57.6Low142 Ų142119 Ų11973%0.72870%0.698SS**  trans-72.2103175-71170.4000106.7P157P157-I159 PolarHBondContact O-N 3.23Å
160I62.7Low57.7Low89 Ų89110.2 Ų110.246%0.45667%0.674SS.*PPolyproline II helixtrans-58.6118.1167.8-65.4176.9000107.1P158 W184P158-I160 PolarHBondContact O-N 2.97Å; I160-W184 HydrophobicContact CB-CZ2 4.25Å; I160-W184 HydrophobicContact CG2-CH2 3.12Å; I160-W184 HydrophobicContact CG2-CZ2 2.92Å; I160-W184 HydrophobicContact CG2-CZ3 4.03Å
161P56.4Low57.7Low76 Ų76111.3 Ų111.349%0.49468%0.68SS.*PPolyproline II helixtrans-66.2133.6-171.525.9-34.3000111W184P161-W184 HydrophobicContact CG-CZ2 4.21Å; P161-W184 WeakPolarHBondContact O-CZ2 3.04Å
162P59.4Low58Low114 Ų114113.5 Ų113.574%0.7469%0.686SS**PPolyproline II helixtrans-54.4134.6-173.523.8-34.2000111.5
163P61.3Low58.3Low75 Ų75111.8 Ų111.849%0.48767%0.67SS.*PPolyproline II helixtrans-60.9143.4-177.524.4-33.2000110.5
164P66.3Low58.7Low88 Ų88106.4 Ų106.457%0.57166%0.657SS**PPolyproline II helixtrans-63.2146.3-179.824.9-32.1000111.2I166P164-I166 PolarHBondContact O-N 2.99Å
165P66.5Low59.5Low134 Ų134108 Ų10887%0.8766%0.66SS**PPolyproline II helixtrans-64.3121.9176.624.4-30.8000110.6
166I62Low60.5Low114 Ų114104.3 Ų104.359%0.58564%0.638SS**PPolyproline II helixtrans-85.9131.5-176.6-57.4158.4000109.5P164 L177P164-I166 PolarHBondContact O-N 2.99Å; I166-L177 HydrophobicContact CD1-CD1 4.12Å; I166-L177 HydrophobicContact CD1-CD2 3.92Å; I166-L177 HydrophobicContact CG2-CD2 4.46Å
167C57.2Low61.2Low122 Ų122104.2 Ų104.282%0.82463%0.625SS**PPolyproline II helixtrans-94.5121.3166.5-132.90000108.1D169C167-D169 PolarHBondContact O-N 3.04Å
168P58.7Low62.1Low116 Ų116100 Ų10075%0.75360%0.602SS**  trans-92.498-175.333.5-27.5000109.8
169D49.8Very low63.1Low165 Ų16599.7 Ų99.788%0.88260%0.602SS**  trans-150.856.8166.7-121.9-36.5000112C167C167-D169 PolarHBondContact O-N 3.04Å
170S53Low64.2Low61 Ų6197.7 Ų97.743%0.42759%0.591SS.*  trans-179118.3163.5152.80000109.4D172 D173S170-D172 PolarHBondContact O-N 2.96Å; S170-D172 PolarHBondContact OG-N 2.77Å; S170-D173 WeakPolarHBondContact CB-OD2 3.43Å; S170-D173 PolarHBondContact O-N 2.91Å; S170-D173 PolarHBondContact OG-OD2 3.49Å
171L53.2Low65Low169 Ų16996.5 Ų96.589%0.88559%0.585SS**THydrogen-bonded Turntrans-70-16.2179.7-176.163.2000112.4D173L171-D173 VanDerWaalsContact C-N 3.34Å
172D58.3Low65.9Low143 Ų14397.5 Ų97.577%0.76559%0.585SS**THydrogen-bonded Turntrans-77.7-21-178.9-156.1-114.6000112.3S170 A174S170-D172 PolarHBondContact O-N 2.96Å; S170-D172 PolarHBondContact OG-N 2.77Å; D172-A174 VanDerWaalsContact C-N 3.27Å; D172-A174 PolarHBondContact O-N 3.13Å
173D60.7Low66.4Low89 Ų8995.8 Ų95.848%0.47658%0.576SS.*Hα-helixtrans-82.10.7-179-66.7-62.2000113.4S170 L171 L177S170-D173 WeakPolarHBondContact CB-OD2 3.43Å; S170-D173 PolarHBondContact O-N 2.91Å; S170-D173 PolarHBondContact OG-OD2 3.49Å; L171-D173 VanDerWaalsContact C-N 3.34Å; D173-L177 WeakPolarHBondContact O-CA 3.3Å; D173-L177 WeakPolarHBondContact O-CB 3.21Å; D173-L177 PolarHBondContact O-N 2.85Å
174A65.4Low66.9Low59 Ų5996 Ų9649%0.48857%0.567SS.*Hα-helixtrans-65.6-39.9-179.400000112.6D172 G178D172-A174 VanDerWaalsContact C-N 3.27Å; D172-A174 PolarHBondContact O-N 3.13Å; A174-G178 PolarHBondContact O-N 3.48Å
175D68.5Low67.1Low136 Ų13698.1 Ų98.173%0.72756%0.564SS**Hα-helixtrans-76.9-35.8177.9-74.5-36000112.1S179D175-S179 VanDerWaalsContact O-CB 3.28Å; D175-S179 WeakPolarHBondContact O-CB 3.28Å; D175-S179 PolarHBondContact O-N 3.37Å; D175-S179 PolarHBondContact O-OG 2.93Å
176A75.1Confident67.2Low58 Ų5898.4 Ų98.448%0.47956%0.556SS.*Hα-helixtrans-69.1-42.3174.400000111.6S179 M180A176-S179 PolarHBondContact O-N 2.84Å; A176-M180 WeakPolarHBondContact O-CB 3.32Å; A176-M180 PolarHBondContact O-N 2.71Å
177L76.3Confident67.2Low48 Ų4897.5 Ų97.525%0.25156%0.56SS.*Hα-helixtrans-64.9-43.7173.2177.159.9000110.9I166 D173 S179 M180 L181I166-L177 HydrophobicContact CD1-CD1 4.12Å; I166-L177 HydrophobicContact CD1-CD2 3.92Å; I166-L177 HydrophobicContact CG2-CD2 4.46Å; D173-L177 WeakPolarHBondContact O-CA 3.3Å; D173-L177 WeakPolarHBondContact O-CB 3.21Å; D173-L177 PolarHBondContact O-N 2.85Å; L177-S179 VanDerWaalsContact C-N 3.34Å; L177-S179 PolarHBondContact O-N 2.83Å; L177-M180 HydrophobicContact CD1-CE 3.53Å; L177-M180 PolarHBondContact O-N 2.87Å; L177-L181 HydrophobicContact CD1-CD1 3.95Å; L177-L181 HydrophobicContact CD1-CG 4.11Å; L177-L181 HydrophobicContact CG-CD1 3.9Å; L177-L181 HydrophobicContact CG-CG 4.47Å; L177-L181 WeakPolarHBondContact O-CB 3.39Å; L177-L181 VanDerWaalsContact O-CG 3.26Å; L177-L181 WeakPolarHBondContact O-CG 3.17Å; L177-L181 PolarHBondContact O-N 3.25Å
178G76.9Confident67.6Low25 Ų2593.1 Ų93.126%0.25854%0.535SS..Hα-helixtrans-56.5-49.6172.500000110.7A174 M180 L181 I182A174-G178 PolarHBondContact O-N 3.48Å; G178-M180 PolarHBondContact O-N 3.14Å; G178-L181 PolarHBondContact O-N 3.32Å; G178-I182 WeakPolarHBondContact O-CB 3.36Å; G178-I182 WeakPolarHBondContact O-CD1 3.44Å; G178-I182 PolarHBondContact O-N 2.88Å
179S76.6Confident67.4Low71 Ų7194.7 Ų94.750%0.49753%0.527SS..Hα-helixtrans-61.7-40.1178.2-61.20000112.8D175 A176 L177 S183D175-S179 VanDerWaalsContact O-CB 3.28Å; D175-S179 WeakPolarHBondContact O-CB 3.28Å; D175-S179 PolarHBondContact O-N 3.37Å; D175-S179 PolarHBondContact O-OG 2.93Å; A176-S179 PolarHBondContact O-N 2.84Å; L177-S179 VanDerWaalsContact C-N 3.34Å; L177-S179 PolarHBondContact O-N 2.83Å; S179-S183 VanDerWaalsContact O-CB 3.28Å; S179-S183 WeakPolarHBondContact O-CB 3.28Å; S179-S183 PolarHBondContact O-N 3.41Å; S179-S183 PolarHBondContact O-OG 3.5Å
180M84.3Confident67.2Low99 Ų9995 Ų9549%0.48852%0.523SS..Hα-helixtrans-66.2-44.6174.8-177.6-173.164.300111.6A176 L177 G178 S183 W184A176-M180 WeakPolarHBondContact O-CB 3.32Å; A176-M180 PolarHBondContact O-N 2.71Å; L177-M180 HydrophobicContact CD1-CE 3.53Å; L177-M180 PolarHBondContact O-N 2.87Å; G178-M180 PolarHBondContact O-N 3.14Å; M180-S183 PolarHBondContact O-N 3.28Å; M180-W184 WeakPolarHBondContact O-CB 3.26Å; M180-W184 PolarHBondContact O-N 3.35Å
181L78.5Confident67.1Low64 Ų6496.8 Ų96.834%0.33553%0.532SS..Hα-helixtrans-66-39.4178.4-72.8169.2000111.6L177 G178 W184 Y185L177-L181 HydrophobicContact CD1-CD1 3.95Å; L177-L181 HydrophobicContact CD1-CG 4.11Å; L177-L181 HydrophobicContact CG-CD1 3.9Å; L177-L181 HydrophobicContact CG-CG 4.47Å; L177-L181 WeakPolarHBondContact O-CB 3.39Å; L177-L181 VanDerWaalsContact O-CG 3.26Å; L177-L181 WeakPolarHBondContact O-CG 3.17Å; L177-L181 PolarHBondContact O-N 3.25Å; G178-L181 PolarHBondContact O-N 3.32Å; L181-W184 HydrophobicContact CD2-CE3 4.31Å; L181-W184 PolarHBondContact O-N 2.84Å; L181-Y185 WeakPolarHBondContact O-CB 2.85Å; L181-Y185 PolarHBondContact O-N 2.81Å
182I75.1Confident66.9Low98 Ų9891.1 Ų91.150%0.50351%0.513SS..Hα-helixtrans-63-46.7171.3-87.681.4000110.2G178 W184 Y185 M186G178-I182 WeakPolarHBondContact O-CB 3.36Å; G178-I182 WeakPolarHBondContact O-CD1 3.44Å; G178-I182 PolarHBondContact O-N 2.88Å; I182-W184 VanDerWaalsContact C-N 3.29Å; I182-W184 PolarHBondContact O-N 2.85Å; I182-Y185 PolarHBondContact O-N 3.23Å; I182-M186 HydrophobicContact CG2-CG 4.37Å; I182-M186 HydrophobicContact CG2-SD 4.11Å; I182-M186 WeakPolarHBondContact O-CB 3.47Å; I182-M186 WeakPolarHBondContact O-CG 2.99Å; I182-M186 PolarHBondContact O-N 2.74Å
183S70.3Confident66.3Low77 Ų7795.4 Ų95.454%0.53852%0.521SS..Hα-helixtrans-61.5-38.7178.9-61.30000112S179 M180 S187S179-S183 VanDerWaalsContact O-CB 3.28Å; S179-S183 WeakPolarHBondContact O-CB 3.28Å; S179-S183 PolarHBondContact O-N 3.41Å; S179-S183 PolarHBondContact O-OG 3.5Å; M180-S183 PolarHBondContact O-N 3.28Å; S183-S187 WeakPolarHBondContact O-CB 2.94Å; S183-S187 PolarHBondContact O-N 3.26Å; S183-S187 VanDerWaalsContact O-N 3.13Å; S183-S187 PolarHBondContact O-OG 2.85Å
184W72.2Confident65.9Low81 Ų8198.2 Ų98.231%0.30753%0.526SS..Hα-helixtrans-72.5-38.5176.7178.264.3000112.9I160 P161 M180 L181 I182 S187I160-W184 HydrophobicContact CB-CZ2 4.25Å; I160-W184 HydrophobicContact CG2-CH2 3.12Å; I160-W184 HydrophobicContact CG2-CZ2 2.92Å; I160-W184 HydrophobicContact CG2-CZ3 4.03Å; P161-W184 HydrophobicContact CG-CZ2 4.21Å; P161-W184 WeakPolarHBondContact O-CZ2 3.04Å; M180-W184 WeakPolarHBondContact O-CB 3.26Å; M180-W184 PolarHBondContact O-N 3.35Å; L181-W184 HydrophobicContact CD2-CE3 4.31Å; L181-W184 PolarHBondContact O-N 2.84Å; I182-W184 VanDerWaalsContact C-N 3.29Å; I182-W184 PolarHBondContact O-N 2.85Å; W184-S187 VanDerWaalsContact CA-OG 3.3Å; W184-S187 WeakPolarHBondContact CA-OG 3.46Å; W184-S187 PolarHBondContact O-OG 2.78Å
185Y71.2Confident65Low131 Ų131102.6 Ų102.651%0.51454%0.538SS..Hα-helixtrans-68.4-41.7175.2176.7-105.8000112.2L181 I182 S187 G188 Y189L181-Y185 WeakPolarHBondContact O-CB 2.85Å; L181-Y185 PolarHBondContact O-N 2.81Å; I182-Y185 PolarHBondContact O-N 3.23Å; Y185-S187 VanDerWaalsContact C-N 3.33Å; Y185-S187 PolarHBondContact O-N 2.64Å; Y185-G188 PolarHBondContact O-N 3.34Å; Y185-Y189 HydrophobicContact CD2-CE2 4.39Å; Y185-Y189 AromaticContact CE1-CE2 3.96Å; Y185-Y189 HydrophobicContact CE1-CE2 3.96Å; Y185-Y189 AromaticContact CE2-CE2 3.78Å; Y185-Y189 HydrophobicContact CE2-CE2 3.78Å; Y185-Y189 AromaticContact CZ-CE2 3.55Å; Y185-Y189 PolarHBondContact OH-OH 3.48Å
186M69Low64Low141 Ų141102.7 Ų102.770%0.69554%0.544SS*.Hα-helixtrans-71.4-26.2177.9-70.7-166.772.700113.3I182 G188I182-M186 HydrophobicContact CG2-CG 4.37Å; I182-M186 HydrophobicContact CG2-SD 4.11Å; I182-M186 WeakPolarHBondContact O-CB 3.47Å; I182-M186 WeakPolarHBondContact O-CG 2.99Å; I182-M186 PolarHBondContact O-N 2.74Å; M186-G188 PolarHBondContact O-N 3.39Å
187S60.8Low62.6Low95 Ų95102.6 Ų102.666%0.66455%0.548SS*.THydrogen-bonded Turntrans-73-0.3173.4440000113.6S183 W184 Y185S183-S187 WeakPolarHBondContact O-CB 2.94Å; S183-S187 PolarHBondContact O-N 3.26Å; S183-S187 VanDerWaalsContact O-N 3.13Å; S183-S187 PolarHBondContact O-OG 2.85Å; W184-S187 VanDerWaalsContact CA-OG 3.3Å; W184-S187 WeakPolarHBondContact CA-OG 3.46Å; W184-S187 PolarHBondContact O-OG 2.78Å; Y185-S187 VanDerWaalsContact C-N 3.33Å; Y185-S187 PolarHBondContact O-N 2.64Å
188G65.5Low61.2Low30 Ų30108.4 Ų108.431%0.30957%0.572SS.*THydrogen-bonded Turntrans-10715.4179.500000116.7Y185 M186Y185-G188 PolarHBondContact O-N 3.34Å; M186-G188 PolarHBondContact O-N 3.39Å
189Y54.7Low59.5Low148 Ų148116.2 Ų116.258%0.5860%0.601SS**  trans-11969.2-179.4-83.4-89.5000113Y185Y185-Y189 HydrophobicContact CD2-CE2 4.39Å; Y185-Y189 AromaticContact CE1-CE2 3.96Å; Y185-Y189 HydrophobicContact CE1-CE2 3.96Å; Y185-Y189 AromaticContact CE2-CE2 3.78Å; Y185-Y189 HydrophobicContact CE2-CE2 3.78Å; Y185-Y189 AromaticContact CZ-CE2 3.55Å; Y185-Y189 PolarHBondContact OH-OH 3.48Å
190H46.3Very low57.5Low172 Ų172118.6 Ų118.680%0.79662%0.616SS**SBendtrans-16337162-119.5-75.6000116.9
191T49.6Very low55.4Low99 Ų99120.3 Ų120.361%0.60763%0.632SS**SBendtrans-13859.2175.7-42.10000113.2
192G49.8Very low53.7Low49 Ų49122.9 Ų122.951%0.50566%0.656SS.*SBendtrans-162.5-14175.400000117.9Y194G192-Y194 PolarHBondContact O-N 3.35Å
193Y46.6Very low52.4Low233 Ų233126.8 Ų126.891%0.91467%0.672SS**THydrogen-bonded Turntrans-87.81.3-170.5-93.3-82.1000116.7
194Y51.4Low51Low148 Ų148131.2 Ų131.258%0.5869%0.689SS**THydrogen-bonded Turntrans-114.53.7-178.651.3-96.9000115.2G192 T196G192-Y194 PolarHBondContact O-N 3.35Å; Y194-T196 VanDerWaalsContact C-N 3.34Å; Y194-T196 PolarHBondContact O-N 3.49Å
195M45.8Very low49.3Very low152 Ų152130.6 Ų130.675%0.74971%0.708SS**THydrogen-bonded Turntrans-84.40.1-177.9-59.9-118.597.500114.5
196T47.8Very low48.2Very low138 Ų138132 Ų13285%0.84772%0.724SS**THydrogen-bonded Turntrans-105.89.2-179.4310000114.9Y194Y194-T196 VanDerWaalsContact C-N 3.34Å; Y194-T196 PolarHBondContact O-N 3.49Å
197G45.9Very low46.9Very low56 Ų56132.2 Ų132.258%0.57773%0.728SS**SBendtrans-91.6-24.917900000116.3
198F46.2Very low46.1Very low170 Ų170134.3 Ų134.375%0.74673%0.731SS**SBendtrans-123.310.5-161.7-68.3-73.7000116.3
199H41.6Very low44.9Very low188 Ų188140 Ų14087%0.8775%0.753SS**SBendtrans-105.937.2174.8-144.5-103000113.5
200C36.1Very low44.1Very low121 Ų121138.6 Ų138.682%0.81876%0.76SS**SBendtrans-14639.5170.2-144.80000112.7
201V39.3Very low44.5Very low136 Ų136139.7 Ų139.782%0.82478%0.783SS**SBendtrans-144.958.1162.8-156.60000110.9
202S43.2Very low44.2Very low118 Ų118141.8 Ų141.883%0.82579%0.792SS**SBendtrans-155.9133.9148.8-1040000111.3
203Q46.5Very low43.9Very low179 Ų179146.6 Ų146.684%0.83681%0.807SS**  trans77.986175.9-57-176.7-24.200115.2
204D40.8Very low43.8Very low171 Ų171141.8 Ų141.891%0.91480%0.801SS**  -147.5106.7110.7-82.4-39.6000109.1
205G36.9Very low43.3Very low68 Ų68141.5 Ų141.570%0.70181%0.814SS**  trans-67.7148.4170.400000110.8
206L49.1Very low43.2Very low160 Ų160140.8 Ų140.884%0.83882%0.818SS**  trans30.9111.5146.2-72154.6000116
207N41.6Very low42.9Very low145 Ų145141 Ų14178%0.77582%0.816SS**  -177.9124.1118.2-94.6-53.6000113.6
208L43.2Very low42.7Very low140 Ų140147.1 Ų147.173%0.73383%0.833SS**  trans81.3117.4135.3-73.4156.9000121.7
209L41.4Very low42.4Very low148 Ų148145.3 Ų145.378%0.77584%0.839SS**  trans8798.7134.7-79.4154.5000119.4
210T36.3Very low42.5Very low119 Ų119141.8 Ų141.873%0.7384%0.837SS**  -40.5157128.228.20000112.2
211P55Low43Very low196 Ų196143.6 Ų143.6100%1.27384%0.839SS**  cis-117.9036.636-23.5000116.9

Retrieved 211 of 211 residues in 125.7 ms (Link to these results)