G4VES8_SCHMA Loading...

PinX1-related protein 1

AlphaFold DB , UniProt , Accession G4VES8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 280 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
1M65.6Low83.8Confident228 Ų228181.5 Ų181.5100%1.12383%0.832SS**  0107.20-71.4-160.9172.300108.9
2L81.5Confident84.1Confident178 Ų178173 Ų17393%0.93281%0.809SS**  trans-115.1-13.3-175-85.2148.9000113.8
3S85.4Confident84.3Confident126 Ų126169.6 Ų169.688%0.88181%0.808SS**  trans-99.63-170.3-520000115.2
4E86.9Confident84.8Confident148 Ų148160.9 Ų160.969%0.69277%0.768SS**SBendtrans-78.2136.8178.8-166.8175.7-179.100111.4R6E4-R6 PolarHBondContact O-N 3.49Å; E4-R6 VanDerWaalsContact O-N 3.11Å
5K88.5Confident84.9Confident189 Ų189157.7 Ų157.782%0.82277%0.766SS**  trans-60.4114.7173.8-71.4-177.7178177.50109.6K7K5-K7 PolarHBondContact O-N 3.34Å; K5-K7 VanDerWaalsContact O-N 3.13Å
6R87.7Confident85Confident248 Ų248157.2 Ų157.294%0.93677%0.768SS**  trans-58.1116.3176.8-66.917769.7172.82.3110.3E4E4-R6 PolarHBondContact O-N 3.49Å; E4-R6 VanDerWaalsContact O-N 3.11Å
7K85.4Confident85.1Confident178 Ų178150.4 Ų150.477%0.77475%0.748SS**  trans-93.4122.5168.9-69.1177.8-178.6169.10109K5 V9K5-K7 PolarHBondContact O-N 3.34Å; K5-K7 VanDerWaalsContact O-N 3.13Å; K7-V9 PolarHBondContact O-N 3.38Å
8K86.7Confident85.3Confident183 Ų183146.6 Ų146.680%0.79673%0.731SS**  trans-76.6105.9172-173.8172.6-177.5172.50108.7
9V85.6Confident85.4Confident92 Ų92142.6 Ų142.656%0.55871%0.712SS**  trans-73.7126.3171.7-177.20000108.1K7 Y11K7-V9 PolarHBondContact O-N 3.38Å; V9-Y11 HydrophobicContact CB-CE2 4.45Å; V9-Y11 HydrophobicContact CG1-CD1 4.17Å; V9-Y11 HydrophobicContact CG1-CD2 4.45Å; V9-Y11 HydrophobicContact CG1-CE1 3.78Å; V9-Y11 HydrophobicContact CG1-CE2 4.08Å; V9-Y11 HydrophobicContact CG1-CG 4.5Å
10R84.3Confident85.5Confident215 Ų215144.2 Ų144.281%0.81171%0.709SS**  trans-99.6115.6165.8-75.2-170.3165.3156.4-2.9107.6S12R10-S12 PolarHBondContact O-N 3.44Å
11Y84.5Confident85.5Confident211 Ų211139.6 Ų139.683%0.82769%0.694SS**  trans-80.1111.2166.6-58.6-74.4000107.1V9V9-Y11 HydrophobicContact CB-CE2 4.45Å; V9-Y11 HydrophobicContact CG1-CD1 4.17Å; V9-Y11 HydrophobicContact CG1-CD2 4.45Å; V9-Y11 HydrophobicContact CG1-CE1 3.78Å; V9-Y11 HydrophobicContact CG1-CE2 4.08Å; V9-Y11 HydrophobicContact CG1-CG 4.5Å
12S86.6Confident86.4Confident80 Ų80132.7 Ų132.756%0.55967%0.665SS**  trans-78.6147.3168.1-174.70000108.5R10 D14R10-S12 PolarHBondContact O-N 3.44Å; S12-D14 PolarHBondContact O-N 3.5Å; S12-D14 VanDerWaalsContact O-N 3.1Å; S12-D14 PolarHBondContact OG-N 3.36Å
13T87.4Confident86.8Confident129 Ų129127.9 Ų127.979%0.79164%0.64SS**SBendtrans-55.4-23.7167.3-45.50000111.4P15T13-P15 VanDerWaalsContact O-CD 3.28Å; T13-P15 WeakPolarHBondContact O-CD 3.44Å
14D90.7Very high86.9Confident48 Ų48128 Ų12826%0.25763%0.63SS.*  trans-119.478.8-174.7-59.625.2000109.4S12 N16 G17 L19S12-D14 PolarHBondContact O-N 3.5Å; S12-D14 VanDerWaalsContact O-N 3.1Å; S12-D14 PolarHBondContact OG-N 3.36Å; D14-N16 PolarHBondContact O-N 3.04Å; D14-N16 VanDerWaalsContact O-N 3.11Å; D14-G17 PolarHBondContact O-N 3Å; D14-G17 VanDerWaalsContact O-N 3.1Å; D14-L19 HydrophobicContact CB-CD1 4.47Å; D14-L19 HydrophobicContact CB-CG 4.19Å; D14-L19 WeakPolarHBondContact OD1-CD1 3.07Å; D14-L19 WeakPolarHBondContact OD1-CG 3.5Å; D14-L19 WeakPolarHBondContact OD2-CB 3.5Å; D14-L19 WeakPolarHBondContact OD2-CD1 3.38Å; D14-L19 WeakPolarHBondContact OD2-CG 3.42Å
15P86.9Confident87Confident113 Ų113126.8 Ų126.873%0.73463%0.629SS**THydrogen-bonded Turntrans-59.6-28.3-177.423.4-33.9000112.7T13T13-P15 VanDerWaalsContact O-CD 3.28Å; T13-P15 WeakPolarHBondContact O-CD 3.44Å
16N86.6Confident87.1Confident149 Ų149120.3 Ų120.380%0.79760%0.603SS**THydrogen-bonded Turntrans-103.4-2.4-179.9-64.5-22.5000113.8D14 N18D14-N16 PolarHBondContact O-N 3.04Å; D14-N16 VanDerWaalsContact O-N 3.11Å; N16-N18 HydrophobicContact CB-CB 4.48Å; N16-N18 PolarHBondContact O-N 3.41Å
17G87.2Confident87.4Confident41 Ų41116.1 Ų116.142%0.42359%0.592SS.*SBendtrans60.326-176.700000115.1D14 W20D14-G17 PolarHBondContact O-N 3Å; D14-G17 VanDerWaalsContact O-N 3.1Å; G17-W20 PolarHBondContact O-NE1 3.33Å
18N87.8Confident87.8Confident83 Ų83109.1 Ų109.144%0.44457%0.57SS.*  trans-105.8-2.5-171.5-162.236.7000114.4N16 W20 A21 T22N16-N18 HydrophobicContact CB-CB 4.48Å; N16-N18 PolarHBondContact O-N 3.41Å; N18-W20 VanDerWaalsContact C-N 3.32Å; N18-W20 PolarHBondContact O-N 2.99Å; N18-A21 PolarHBondContact O-N 3.21Å; N18-A21 VanDerWaalsContact O-N 3.1Å; N18-A21 WeakPolarHBondContact OD1-CB 3.3Å; N18-T22 VanDerWaalsContact ND2-CG2 3.35Å; N18-T22 WeakPolarHBondContact ND2-CG2 3.42Å; N18-T22 PolarHBondContact O-N 2.94Å; N18-T22 VanDerWaalsContact O-N 3.1Å; N18-T22 PolarHBondContact O-OG1 3.08Å
19L88.1Confident88.1Confident71 Ų71102.1 Ų102.137%0.37254%0.539SS..Hα-helixtrans-61.8-41.3-173-65-166.8000112.3D14 A21 T22 N23D14-L19 HydrophobicContact CB-CD1 4.47Å; D14-L19 HydrophobicContact CB-CG 4.19Å; D14-L19 WeakPolarHBondContact OD1-CD1 3.07Å; D14-L19 WeakPolarHBondContact OD1-CG 3.5Å; D14-L19 WeakPolarHBondContact OD2-CB 3.5Å; D14-L19 WeakPolarHBondContact OD2-CD1 3.38Å; D14-L19 WeakPolarHBondContact OD2-CG 3.42Å; L19-A21 PolarHBondContact O-N 3.44Å; L19-T22 WeakPolarHBondContact CA-OG1 3.36Å; L19-T22 PolarHBondContact O-N 3.15Å; L19-T22 PolarHBondContact O-OG1 3.01Å; L19-T22 VanDerWaalsContact O-OG1 3.13Å; L19-N23 WeakPolarHBondContact O-CB 3.46Å; L19-N23 PolarHBondContact O-N 2.96Å; L19-N23 PolarHBondContact O-ND2 3.32Å; L19-N23 PolarHBondContact O-OD1 3.46Å
20W86.1Confident88.5Confident174 Ų174102.4 Ų102.466%0.65953%0.532SS*.Hα-helixtrans-55.7-35177.569.5-82.1000112.9G17 N18 N26G17-W20 PolarHBondContact O-NE1 3.33Å; N18-W20 VanDerWaalsContact C-N 3.32Å; N18-W20 PolarHBondContact O-N 2.99Å; W20-N26 PolarHBondContact O-ND2 2.88Å
21A85.9Confident89Confident48 Ų4896.3 Ų96.340%0.39751%0.514SS..Hα-helixtrans-84-31.418000000112.8N18 L19N18-A21 PolarHBondContact O-N 3.21Å; N18-A21 VanDerWaalsContact O-N 3.1Å; N18-A21 WeakPolarHBondContact OD1-CB 3.3Å; L19-A21 PolarHBondContact O-N 3.44Å
22T85.7Confident89.5Confident83 Ų8389.8 Ų89.851%0.50949%0.493SS..Hα-helixtrans-81.2-21.817953.70000113.6N18 L19 L24N18-T22 VanDerWaalsContact ND2-CG2 3.35Å; N18-T22 WeakPolarHBondContact ND2-CG2 3.42Å; N18-T22 PolarHBondContact O-N 2.94Å; N18-T22 VanDerWaalsContact O-N 3.1Å; N18-T22 PolarHBondContact O-OG1 3.08Å; L19-T22 WeakPolarHBondContact CA-OG1 3.36Å; L19-T22 PolarHBondContact O-N 3.15Å; L19-T22 PolarHBondContact O-OG1 3.01Å; L19-T22 VanDerWaalsContact O-OG1 3.13Å; T22-L24 PolarHBondContact O-N 2.84Å
23N89.1Confident89.8Confident76 Ų7689.5 Ų89.541%0.40648%0.483SS..  trans-68.3116.5-174.4-74.1-18.3000112.3L19 N25 N26 R29L19-N23 WeakPolarHBondContact O-CB 3.46Å; L19-N23 PolarHBondContact O-N 2.96Å; L19-N23 PolarHBondContact O-ND2 3.32Å; L19-N23 PolarHBondContact O-OD1 3.46Å; N23-N25 PolarHBondContact O-N 3.03Å; N23-N26 HydrophobicContact CB-CB 4.28Å; N23-N26 WeakPolarHBondContact O-CB 3.18Å; N23-N26 PolarHBondContact O-N 3.23Å; N23-R29 WeakPolarHBondContact O-CD 3.5Å; N23-R29 PolarHBondContact O-NE 3.07Å
24L86.8Confident90.2Very high129 Ų12992 Ų9268%0.67548%0.483SS*.THydrogen-bonded Turntrans-59.4-36.7177.2-159.778.2000111.2T22 N26 R29T22-L24 PolarHBondContact O-N 2.84Å; L24-N26 VanDerWaalsContact C-N 3.27Å; L24-N26 PolarHBondContact O-N 3.34Å; L24-R29 PolarHBondContact O-NE 3.43Å; L24-R29 PolarHBondContact O-NH2 3.14Å
25N89.8Confident90.4Very high122 Ų12298.8 Ų98.865%0.65251%0.507SS*.THydrogen-bonded Turntrans-82.93.4-174.4-158.719.5000114.4N23 F27 K30N23-N25 PolarHBondContact O-N 3.03Å; N25-F27 PolarHBondContact O-N 3.47Å; N25-K30 WeakPolarHBondContact OD1-CE 3.18Å; N25-K30 PolarHBondContact OD1-NZ 3.09Å
26N91.1Very high90.8Very high54 Ų5496.6 Ų96.629%0.28950%0.504SS..  trans-66.3135.9-175-167.9-0.7000112W20 N23 L24 G28 R29 K30W20-N26 PolarHBondContact O-ND2 2.88Å; N23-N26 HydrophobicContact CB-CB 4.28Å; N23-N26 WeakPolarHBondContact O-CB 3.18Å; N23-N26 PolarHBondContact O-N 3.23Å; L24-N26 VanDerWaalsContact C-N 3.27Å; L24-N26 PolarHBondContact O-N 3.34Å; N26-G28 PolarHBondContact O-N 2.84Å; N26-R29 HydrophobicContact CB-CB 4.24Å; N26-R29 WeakPolarHBondContact O-CB 3.13Å; N26-R29 PolarHBondContact O-N 3.2Å; N26-R29 VanDerWaalsContact O-N 3.14Å; N26-K30 PolarHBondContact O-N 3.4Å
27F93.3Very high91.1Very high160 Ų16092.6 Ų92.670%0.70248%0.478SS*.Hα-helixtrans-52-50.4179.5171.8-98000112.4N25 R29 K30 M31N25-F27 PolarHBondContact O-N 3.47Å; F27-R29 VanDerWaalsContact C-N 3.25Å; F27-R29 PolarHBondContact O-N 3.16Å; F27-K30 PolarHBondContact O-N 3.26Å; F27-M31 HydrophobicContact CE1-SD 4.16Å; F27-M31 HydrophobicContact CZ-SD 4.23Å; F27-M31 PolarHBondContact O-N 3.44Å
28G93Very high91.3Very high31 Ų3192.2 Ų92.232%0.3247%0.471SS..Hα-helixtrans-62.3-34.9-178.400000112.7N26 M31 L32N26-G28 PolarHBondContact O-N 2.84Å; G28-M31 PolarHBondContact O-N 3.04Å; G28-L32 WeakPolarHBondContact O-CG 3.46Å; G28-L32 PolarHBondContact O-N 3.1Å
29R93.2Very high91.5Very high36 Ų3692.6 Ų92.614%0.13648%0.478CS..Hα-helixtrans-69.4-46.3178.5-155.9-178.474.880.226111.6N23 L24 N26 F27 M31 L32 E33 W37N23-R29 WeakPolarHBondContact O-CD 3.5Å; N23-R29 PolarHBondContact O-NE 3.07Å; L24-R29 PolarHBondContact O-NE 3.43Å; L24-R29 PolarHBondContact O-NH2 3.14Å; N26-R29 HydrophobicContact CB-CB 4.24Å; N26-R29 WeakPolarHBondContact O-CB 3.13Å; N26-R29 PolarHBondContact O-N 3.2Å; N26-R29 VanDerWaalsContact O-N 3.14Å; F27-R29 VanDerWaalsContact C-N 3.25Å; F27-R29 PolarHBondContact O-N 3.16Å; R29-M31 VanDerWaalsContact C-N 3.29Å; R29-M31 PolarHBondContact O-N 2.8Å; R29-L32 PolarHBondContact O-N 3.08Å; R29-E33 IonicContact CZ-OE1 2.92Å; R29-E33 IonicContact NH1-OE1 2.93Å; R29-E33 PolarHBondContact NH1-OE1 3.22Å; R29-E33 IonicContact NH2-OE1 3.87Å; R29-E33 PolarHBondContact NH2-OE1 3.45Å; R29-E33 IonicContact NH2-OE2 3.1Å; R29-E33 PolarHBondContact NH2-OE2 3.07Å; R29-E33 WeakPolarHBondContact O-CG 3.41Å; R29-E33 PolarHBondContact O-N 3.02Å; R29-W37 HydrophobicContact CG-CZ3 4.05Å
30K94Very high91.6Very high97 Ų9792 Ų9242%0.42249%0.488SS..Hα-helixtrans-59.5-40.7173.9-68.8-176.1-177.6-179.40111.9N25 N26 F27 E33 K34N25-K30 WeakPolarHBondContact OD1-CE 3.18Å; N25-K30 PolarHBondContact OD1-NZ 3.09Å; N26-K30 PolarHBondContact O-N 3.4Å; F27-K30 PolarHBondContact O-N 3.26Å; K30-E33 PolarHBondContact O-N 2.99Å; K30-K34 WeakPolarHBondContact O-CG 3.47Å; K30-K34 PolarHBondContact O-N 3.41Å
31M95Very high92Very high88 Ų8889.3 Ų89.343%0.43348%0.481SS..Hα-helixtrans-64.3-45.1177.8-175.4171.3168.700111.4F27 G28 R29 E33 K34 Y35F27-M31 HydrophobicContact CE1-SD 4.16Å; F27-M31 HydrophobicContact CZ-SD 4.23Å; F27-M31 PolarHBondContact O-N 3.44Å; G28-M31 PolarHBondContact O-N 3.04Å; R29-M31 VanDerWaalsContact C-N 3.29Å; R29-M31 PolarHBondContact O-N 2.8Å; M31-E33 PolarHBondContact O-N 2.8Å; M31-K34 WeakPolarHBondContact O-CB 3.46Å; M31-K34 PolarHBondContact O-N 3.2Å; M31-Y35 HydrophobicContact CE-CE2 3.82Å; M31-Y35 HydrophobicContact CG-CD2 4.16Å; M31-Y35 HydrophobicContact CG-CE2 3.87Å; M31-Y35 WeakPolarHBondContact O-CD2 3.3Å; M31-Y35 PolarHBondContact O-N 3.04Å
32L94.6Very high92.4Very high73 Ų7387.2 Ų87.238%0.38246%0.464SS..Hα-helixtrans-61.5-43.2175.1-73.4172.2000112.1G28 R29 K34 Y35 G36 W37G28-L32 WeakPolarHBondContact O-CG 3.46Å; G28-L32 PolarHBondContact O-N 3.1Å; R29-L32 PolarHBondContact O-N 3.08Å; L32-K34 VanDerWaalsContact C-N 3.31Å; L32-K34 PolarHBondContact O-N 2.79Å; L32-Y35 CarbonylContact O-C 3.58Å; L32-Y35 PolarHBondContact O-N 3.02Å; L32-Y35 VanDerWaalsContact O-N 3.09Å; L32-G36 PolarHBondContact O-N 2.96Å; L32-W37 HydrophobicContact CB-CB 3.98Å; L32-W37 HydrophobicContact CB-CD2 4.05Å; L32-W37 HydrophobicContact CB-CE3 3.63Å; L32-W37 HydrophobicContact CB-CG 4.24Å; L32-W37 HydrophobicContact CB-CZ3 4.43Å; L32-W37 HydrophobicContact CD1-CD2 4.41Å; L32-W37 HydrophobicContact CD1-CE3 4.25Å; L32-W37 VanDerWaalsContact O-CB 3.31Å; L32-W37 WeakPolarHBondContact O-CB 3.47Å; L32-W37 PolarHBondContact O-N 3.25Å
33E94Very high92.8Very high74 Ų7488.3 Ų88.335%0.34647%0.467SS..Hα-helixtrans-58.5-41.1174.7-74.1172.6179.700111.7R29 K30 M31 Y35 G36 W37R29-E33 IonicContact CZ-OE1 2.92Å; R29-E33 IonicContact NH1-OE1 2.93Å; R29-E33 PolarHBondContact NH1-OE1 3.22Å; R29-E33 IonicContact NH2-OE1 3.87Å; R29-E33 PolarHBondContact NH2-OE1 3.45Å; R29-E33 IonicContact NH2-OE2 3.1Å; R29-E33 PolarHBondContact NH2-OE2 3.07Å; R29-E33 WeakPolarHBondContact O-CG 3.41Å; R29-E33 PolarHBondContact O-N 3.02Å; K30-E33 PolarHBondContact O-N 2.99Å; M31-E33 PolarHBondContact O-N 2.8Å; E33-Y35 VanDerWaalsContact C-N 3.26Å; E33-Y35 PolarHBondContact O-N 3.43Å; E33-G36 PolarHBondContact O-N 3.01Å; E33-W37 WeakPolarHBondContact CA-O 3.4Å; E33-W37 HydrophobicContact CG-CE3 4.46Å
34K95.7Very high93.1Very high181 Ų18187.4 Ų87.479%0.78748%0.475SS*.Hα-helixtrans-60.7-31.9174.7-75178.1177.7-170.20113.5K30 M31 L32 G36K30-K34 WeakPolarHBondContact O-CG 3.47Å; K30-K34 PolarHBondContact O-N 3.41Å; M31-K34 WeakPolarHBondContact O-CB 3.46Å; M31-K34 PolarHBondContact O-N 3.2Å; L32-K34 VanDerWaalsContact C-N 3.31Å; L32-K34 PolarHBondContact O-N 2.79Å; K34-G36 VanDerWaalsContact C-N 3.27Å; K34-G36 PolarHBondContact O-N 3.36Å
35Y94.9Very high93.4Very high192 Ų19291.4 Ų91.475%0.75349%0.487SS*.THydrogen-bonded Turntrans-879.5175.7-72-71.2000113.5M31 L32 E33M31-Y35 HydrophobicContact CE-CE2 3.82Å; M31-Y35 HydrophobicContact CG-CD2 4.16Å; M31-Y35 HydrophobicContact CG-CE2 3.87Å; M31-Y35 WeakPolarHBondContact O-CD2 3.3Å; M31-Y35 PolarHBondContact O-N 3.04Å; L32-Y35 CarbonylContact O-C 3.58Å; L32-Y35 PolarHBondContact O-N 3.02Å; L32-Y35 VanDerWaalsContact O-N 3.09Å; E33-Y35 VanDerWaalsContact C-N 3.26Å; E33-Y35 PolarHBondContact O-N 3.43Å
36G94Very high93.6Very high66 Ų6691 Ų9168%0.6849%0.485SS*.THydrogen-bonded Turntrans87.39.1175.800000114.9L32 E33 K34L32-G36 PolarHBondContact O-N 2.96Å; E33-G36 PolarHBondContact O-N 3.01Å; K34-G36 VanDerWaalsContact C-N 3.27Å; K34-G36 PolarHBondContact O-N 3.36Å
37W94.5Very high93.6Very high66 Ų6690.7 Ų90.725%0.2549%0.487CS..  trans-72.8133.9169176.776.4000110.2R29 L32 E33 K41 L43R29-W37 HydrophobicContact CG-CZ3 4.05Å; L32-W37 HydrophobicContact CB-CB 3.98Å; L32-W37 HydrophobicContact CB-CD2 4.05Å; L32-W37 HydrophobicContact CB-CE3 3.63Å; L32-W37 HydrophobicContact CB-CG 4.24Å; L32-W37 HydrophobicContact CB-CZ3 4.43Å; L32-W37 HydrophobicContact CD1-CD2 4.41Å; L32-W37 HydrophobicContact CD1-CE3 4.25Å; L32-W37 VanDerWaalsContact O-CB 3.31Å; L32-W37 WeakPolarHBondContact O-CB 3.47Å; L32-W37 PolarHBondContact O-N 3.25Å; E33-W37 WeakPolarHBondContact CA-O 3.4Å; E33-W37 HydrophobicContact CG-CE3 4.46Å; W37-K41 PolarHBondContact NE1-O 3.29Å; W37-L43 VanDerWaalsContact CD1-CD2 3.5Å; W37-L43 HydrophobicContact CG-CD2 4.13Å
38A91.8Very high93.6Very high33 Ų3389.6 Ų89.627%0.27349%0.489SS..  trans-112.2145.5176.700000110.5G40 K41A38-G40 PolarHBondContact O-N 2.61Å; A38-K41 HydrophobicContact CB-CD 4.09Å; A38-K41 HydrophobicContact CB-CG 4.32Å; A38-K41 PolarHBondContact O-N 3.16Å; A38-K41 VanDerWaalsContact O-N 3.13Å
39P90.9Very high93.7Very high90 Ų9089.5 Ų89.558%0.58449%0.488SS*.THydrogen-bonded Turntrans-57.5134.4177.825.1-34.3000110.8K41P39-K41 VanDerWaalsContact C-N 3.32Å; P39-K41 PolarHBondContact O-N 3.35Å
40G90.9Very high93.8Very high58 Ų5893.9 Ų93.960%0.59851%0.513SS*.THydrogen-bonded Turntrans85.7-9.1-179.200000115.6A38 K51A38-G40 PolarHBondContact O-N 2.61Å; G40-K51 WeakPolarHBondContact O-CD 3.48Å; G40-K51 WeakPolarHBondContact O-CE 3.49Å
41K93.5Very high93.7Very high118 Ų11897.1 Ų97.151%0.51353%0.527SS..PPolyproline II helixtrans-89.9143.8171.6-65.6-168.6-176.9179.40111.3W37 A38 P39W37-K41 PolarHBondContact NE1-O 3.29Å; A38-K41 HydrophobicContact CB-CD 4.09Å; A38-K41 HydrophobicContact CB-CG 4.32Å; A38-K41 PolarHBondContact O-N 3.16Å; A38-K41 VanDerWaalsContact O-N 3.13Å; P39-K41 VanDerWaalsContact C-N 3.32Å; P39-K41 PolarHBondContact O-N 3.35Å
42G94.5Very high93.5Very high4 Ų496.2 Ų96.24%0.04153%0.533CS..PPolyproline II helixtrans-72.8161.8168.600000110.8S47 G49G42-S47 PolarHBondContact N-O 3.07Å; G42-S47 WeakPolarHBondContact O-CA 3.12Å; G42-G49 WeakPolarHBondContact CA-O 2.99Å
43L94.6Very high93.3Very high107 Ų10798.3 Ų98.356%0.5655%0.551SS**SBendtrans-77164.9173.1-64.8171.3000111.5W37 G49W37-L43 VanDerWaalsContact CD1-CD2 3.5Å; W37-L43 HydrophobicContact CG-CD2 4.13Å; L43-G49 VanDerWaalsContact O-CA 3.26Å; L43-G49 WeakPolarHBondContact O-CA 3.29Å; L43-G49 PolarHBondContact O-N 2.62Å
44G94.5Very high93.3Very high57 Ų57101.6 Ų101.659%0.58857%0.57SS**SBendtrans103.8166.7176.900000114.2N46 S47G44-N46 VanDerWaalsContact C-N 3.26Å; G44-N46 PolarHBondContact O-N 3.45Å; G44-N46 VanDerWaalsContact O-N 3.14Å; G44-S47 PolarHBondContact O-N 2.93Å
45K94Very high93.1Very high212 Ų212102.4 Ų102.492%0.92257%0.573SS**THydrogen-bonded Turntrans-51-42-172.2-175.1179.3178.6178.90113.8
46N93.3Very high92.8Very high113 Ų11397.6 Ų97.660%0.60457%0.574SS**THydrogen-bonded Turntrans-101.512-177.7-60.5-9.2000112.7G44 N48G44-N46 VanDerWaalsContact C-N 3.26Å; G44-N46 PolarHBondContact O-N 3.45Å; G44-N46 VanDerWaalsContact O-N 3.14Å; N46-N48 PolarHBondContact O-N 3.15Å; N46-N48 PolarHBondContact O-OD1 3.23Å; N46-N48 VanDerWaalsContact O-OD1 3.1Å
47S91Very high92.5Very high48 Ų48100.4 Ų100.434%0.33658%0.583SS.*SBendtrans5823-174.3-55.60000115.4G42 G44G42-S47 PolarHBondContact N-O 3.07Å; G42-S47 WeakPolarHBondContact O-CA 3.12Å; G44-S47 PolarHBondContact O-N 2.93Å
48N93.6Very high92.2Very high137 Ų137102.8 Ų102.873%0.73361%0.605SS**  trans-93.54.4-173.7-70.9-14.5000114.3N46N46-N48 PolarHBondContact O-N 3.15Å; N46-N48 PolarHBondContact O-OD1 3.23Å; N46-N48 VanDerWaalsContact O-OD1 3.1Å
49G95Very high92Very high30 Ų30107 Ų10731%0.30962%0.619SS.*SBendtrans-65.1166.7177.400000113.2G42 L43 K51G42-G49 WeakPolarHBondContact CA-O 2.99Å; L43-G49 VanDerWaalsContact O-CA 3.26Å; L43-G49 WeakPolarHBondContact O-CA 3.29Å; L43-G49 PolarHBondContact O-N 2.62Å; G49-K51 PolarHBondContact O-N 3.12Å
50I94.9Very high91.8Very high127 Ų127111.9 Ų111.965%0.65163%0.631SS**  trans-56.3130.1173.158173000110.3I54I50-I54 HydrophobicContact CD1-CD1 4.28Å; I50-I54 HydrophobicContact CD1-CG1 4.23Å
51K93Very high91.5Very high165 Ų165112.1 Ų112.172%0.71763%0.633SS**SBendtrans-87-31.5-178.5-63.2180179.9-175.10112.7G40 G49G40-K51 WeakPolarHBondContact O-CD 3.48Å; G40-K51 WeakPolarHBondContact O-CE 3.49Å; G49-K51 PolarHBondContact O-N 3.12Å
52A90.8Very high91.3Very high69 Ų69113.8 Ų113.857%0.5765%0.654SS**SBendtrans-116.4147.2179.900000109.8
53P90.6Very high90.7Very high117 Ų117117.4 Ų117.476%0.7667%0.666SS**  trans-65.1143.2176.227.9-34.3000110.8K55P53-K55 PolarHBondContact O-N 3.19Å
54I93.1Very high90.3Very high143 Ų143114.6 Ų114.673%0.73366%0.663SS**  trans-72.8125.9174.9-59171.6000108.2I50 A56I50-I54 HydrophobicContact CD1-CD1 4.28Å; I50-I54 HydrophobicContact CD1-CG1 4.23Å; I54-A56 PolarHBondContact O-N 3.12Å
55K91.1Very high90Very high198 Ų198120.3 Ų120.386%0.86168%0.679SS**  trans-78115.2174.8-67.1-175.7179.7179.20109.3P53P53-K55 PolarHBondContact O-N 3.19Å
56A90Very high89.6Confident92 Ų92113.9 Ų113.976%0.7667%0.673SS**PPolyproline II helixtrans-70.1135.1169.900000110I54I54-A56 PolarHBondContact O-N 3.12Å
57S87.7Confident88.8Confident125 Ų125112.7 Ų112.787%0.87467%0.665SS**PPolyproline II helixtrans-92.3118.4169.3-1750000108.5
58T87.6Confident88Confident116 Ų116117 Ų11771%0.71268%0.678SS**PPolyproline II helixtrans-94.5135177.3-47.70000110.1K60T58-K60 PolarHBondContact O-N 3.42Å
59Q88.1Confident86.8Confident121 Ų121115 Ų11557%0.56567%0.674SS**PPolyproline II helixtrans-69125170.7-170.9-175.9-5.500109.5G61 R63Q59-G61 WeakPolarHBondContact CG-O 3.14Å; Q59-G61 PolarHBondContact NE2-O 2.92Å; Q59-R63 PolarHBondContact NE2-O 3.09Å
60K85.7Confident85.3Confident193 Ų193117.7 Ų117.784%0.83968%0.682SS**  trans-94.9112.8173.3-64.6-177.5-179.1179.60108.8T58T58-K60 PolarHBondContact O-N 3.42Å
61G85.9Confident83.4Confident63 Ų63115.4 Ų115.465%0.64967%0.667SS**SBendtrans68-159.5-178.400000113.7Q59 R63Q59-G61 WeakPolarHBondContact CG-O 3.14Å; Q59-G61 PolarHBondContact NE2-O 2.92Å; G61-R63 PolarHBondContact O-N 3.21Å; G61-R63 VanDerWaalsContact O-N 3.12Å
62T87.5Confident81.7Confident153 Ų153109.1 Ų109.194%0.93965%0.649SS**SBendtrans-86.334.6-174.5-37.90000113.3
63R83.3Confident80.1Confident79 Ų79110 Ų11030%0.29864%0.643SS.*PPolyproline II helixtrans-77.7133.9-172.6-173.4168.2100.1161.1149112.4Q59 G61 M67 K68 S69Q59-R63 PolarHBondContact NE2-O 3.09Å; G61-R63 PolarHBondContact O-N 3.21Å; G61-R63 VanDerWaalsContact O-N 3.12Å; R63-M67 VanDerWaalsContact CD-CG 3.48Å; R63-M67 HydrophobicContact CG-CB 3.57Å; R63-M67 HydrophobicContact CG-CG 3.39Å; R63-M67 PolarHBondContact NE-O 3.26Å; R63-M67 PolarHBondContact NH1-O 3.44Å; R63-M67 VanDerWaalsContact NH2-C 3.34Å; R63-M67 PolarHBondContact NH2-O 3.33Å; R63-K68 VanDerWaalsContact NH1-C 3.31Å; R63-K68 PolarHBondContact NH2-O 3.46Å; R63-S69 VanDerWaalsContact NH2-CA 3.34Å
64G86.1Confident78.7Confident49 Ų49106.3 Ų106.351%0.50563%0.627SS.*PPolyproline II helixtrans-59.6156.8173.800000114.2M67G64-M67 WeakPolarHBondContact O-CB 3.02Å
65L88.3Confident77.5Confident176 Ų176104.9 Ų104.992%0.92162%0.62SS**THydrogen-bonded Turntrans-64.9149.9172.8-62.3174.8000110.8M67L65-M67 PolarHBondContact O-N 3.23Å
66G84.2Confident76.5Confident77 Ų77101 Ų10179%0.79460%0.6SS**THydrogen-bonded Turntrans80.3-15.4-179.100000115.1K68G66-K68 PolarHBondContact O-N 3.05Å
67M76.8Confident75.9Confident89 Ų89102.4 Ų102.444%0.43859%0.591SS.*  trans-66118.4173.1-145.846.1166.600106.7R63 G64 L65 F71R63-M67 VanDerWaalsContact CD-CG 3.48Å; R63-M67 HydrophobicContact CG-CB 3.57Å; R63-M67 HydrophobicContact CG-CG 3.39Å; R63-M67 PolarHBondContact NE-O 3.26Å; R63-M67 PolarHBondContact NH1-O 3.44Å; R63-M67 VanDerWaalsContact NH2-C 3.34Å; R63-M67 PolarHBondContact NH2-O 3.33Å; G64-M67 WeakPolarHBondContact O-CB 3.02Å; L65-M67 PolarHBondContact O-N 3.23Å; M67-F71 VanDerWaalsContact CA-CZ 3.48Å; M67-F71 HydrophobicContact CB-CE2 3.49Å; M67-F71 VanDerWaalsContact CB-CE2 3.49Å; M67-F71 HydrophobicContact CB-CZ 3.95Å; M67-F71 HydrophobicContact CE-CD2 4.34Å; M67-F71 HydrophobicContact CE-CE2 4.05Å; M67-F71 HydrophobicContact CE-CZ 4.14Å; M67-F71 HydrophobicContact CG-CD2 3.8Å; M67-F71 HydrophobicContact CG-CE2 3.01Å; M67-F71 HydrophobicContact CG-CZ 3.56Å; M67-F71 HydrophobicContact SD-CD2 3.99Å; M67-F71 HydrophobicContact SD-CE1 3.84Å; M67-F71 HydrophobicContact SD-CE2 3.14Å; M67-F71 WeakPolarHBondContact SD-CE2 3.14Å; M67-F71 HydrophobicContact SD-CZ 3.02Å; M67-F71 WeakPolarHBondContact SD-CZ 3.25Å
68K74.7Confident75.7Confident139 Ų139101.5 Ų101.560%0.60458%0.575SS**  trans-84.6134.1-179.8-65.9-178.4-179.2177.50111.9R63 G66 D70 F71R63-K68 VanDerWaalsContact NH1-C 3.31Å; R63-K68 PolarHBondContact NH2-O 3.46Å; G66-K68 PolarHBondContact O-N 3.05Å; K68-D70 PolarHBondContact O-N 2.83Å; K68-F71 WeakPolarHBondContact O-CD2 3.42Å; K68-F71 WeakPolarHBondContact O-CE2 3.5Å; K68-F71 PolarHBondContact O-N 3.35Å
69S67.9Low75.6Confident93 Ų93100.5 Ų100.565%0.6557%0.565SS**SBendtrans-50.4-29.7-169.844.70000113.9R63 F71R63-S69 VanDerWaalsContact NH2-CA 3.34Å; S69-F71 PolarHBondContact O-N 2.97Å
70D63.3Low75.6Confident88 Ų88101.4 Ų101.447%0.47157%0.569SS.*  trans-8760.4-177.2-35-25.2000109.1K68 G72 R76K68-D70 PolarHBondContact O-N 2.83Å; D70-G72 PolarHBondContact O-N 3.43Å; D70-R76 IonicContact OD2-CZ 2.83Å; D70-R76 IonicContact OD2-NH2 3.54Å; D70-R76 PolarHBondContact OD2-NH2 2.91Å
71F55.9Low75.8Confident79 Ų7999.2 Ų99.235%0.34656%0.557SS.*  trans-79.263.4165.8-80.6-53.9000110.6M67 K68 S69 L73M67-F71 VanDerWaalsContact CA-CZ 3.48Å; M67-F71 HydrophobicContact CB-CE2 3.49Å; M67-F71 VanDerWaalsContact CB-CE2 3.49Å; M67-F71 HydrophobicContact CB-CZ 3.95Å; M67-F71 HydrophobicContact CE-CD2 4.34Å; M67-F71 HydrophobicContact CE-CE2 4.05Å; M67-F71 HydrophobicContact CE-CZ 4.14Å; M67-F71 HydrophobicContact CG-CD2 3.8Å; M67-F71 HydrophobicContact CG-CE2 3.01Å; M67-F71 HydrophobicContact CG-CZ 3.56Å; M67-F71 HydrophobicContact SD-CD2 3.99Å; M67-F71 HydrophobicContact SD-CE1 3.84Å; M67-F71 HydrophobicContact SD-CE2 3.14Å; M67-F71 WeakPolarHBondContact SD-CE2 3.14Å; M67-F71 HydrophobicContact SD-CZ 3.02Å; M67-F71 WeakPolarHBondContact SD-CZ 3.25Å; K68-F71 WeakPolarHBondContact O-CD2 3.42Å; K68-F71 WeakPolarHBondContact O-CE2 3.5Å; K68-F71 PolarHBondContact O-N 3.35Å; S69-F71 PolarHBondContact O-N 2.97Å; F71-L73 HydrophobicContact CB-CD1 4.04Å; F71-L73 HydrophobicContact CB-CG 3.74Å; F71-L73 HydrophobicContact CD1-CD1 4Å; F71-L73 HydrophobicContact CD1-CD2 3.11Å; F71-L73 HydrophobicContact CD1-CG 3.3Å; F71-L73 HydrophobicContact CE1-CD2 3.52Å; F71-L73 HydrophobicContact CE1-CG 4.2Å; F71-L73 HydrophobicContact CG-CD1 4.09Å; F71-L73 HydrophobicContact CG-CD2 4.04Å; F71-L73 HydrophobicContact CG-CG 3.76Å; F71-L73 PolarHBondContact O-N 3.18Å
72G57.7Low76.1Confident32 Ų3297.7 Ų97.733%0.3354%0.538SS..  trans-70.663.814100000108D70 G74 I75 R76D70-G72 PolarHBondContact O-N 3.43Å; G72-G74 CarbonylContact O-C 3.49Å; G72-G74 PolarHBondContact O-N 3.12Å; G72-I75 PolarHBondContact O-N 2.68Å; G72-R76 PolarHBondContact O-N 3.14Å
73L56.7Low76.4Confident87 Ų8792.7 Ų92.746%0.45551%0.51SS..Hα-helixtrans-51.9-29.6-177.1-81.9162.6000111.4F71 Q77F71-L73 HydrophobicContact CB-CD1 4.04Å; F71-L73 HydrophobicContact CB-CG 3.74Å; F71-L73 HydrophobicContact CD1-CD1 4Å; F71-L73 HydrophobicContact CD1-CD2 3.11Å; F71-L73 HydrophobicContact CD1-CG 3.3Å; F71-L73 HydrophobicContact CE1-CD2 3.52Å; F71-L73 HydrophobicContact CE1-CG 4.2Å; F71-L73 HydrophobicContact CG-CD1 4.09Å; F71-L73 HydrophobicContact CG-CD2 4.04Å; F71-L73 HydrophobicContact CG-CG 3.76Å; F71-L73 PolarHBondContact O-N 3.18Å; L73-Q77 WeakPolarHBondContact O-CG 3.44Å; L73-Q77 PolarHBondContact O-OE1 3.25Å
74G60.3Low76.9Confident41 Ų4193.8 Ų93.842%0.42352%0.521SS..Hα-helixtrans-72.3-55.816900000113.1G72 R76 Q77 I78G72-G74 CarbonylContact O-C 3.49Å; G72-G74 PolarHBondContact O-N 3.12Å; G74-R76 PolarHBondContact O-N 3.27Å; G74-Q77 PolarHBondContact O-N 2.95Å; G74-I78 VanDerWaalsContact O-CB 3.24Å; G74-I78 WeakPolarHBondContact O-CB 3.45Å; G74-I78 WeakPolarHBondContact O-CD1 3.08Å; G74-I78 WeakPolarHBondContact O-CG1 3.4Å; G74-I78 PolarHBondContact O-N 3.14Å
75I69.7Low77.1Confident113 Ų11395 Ų9558%0.57952%0.515SS*.Hα-helixtrans-67-46-164.5-54.3174.4000112.4G72 Q77 I78 D79G72-I75 PolarHBondContact O-N 2.68Å; I75-Q77 PolarHBondContact O-N 3.43Å; I75-I78 PolarHBondContact O-N 3.33Å; I75-D79 WeakPolarHBondContact O-CB 3.17Å; I75-D79 PolarHBondContact O-N 3.41Å
76R68.8Low77.4Confident116 Ų11695.1 Ų95.144%0.43850%0.504SS..Hα-helixtrans-67.6-40.3-178.3-72.7-170.2173.7-179.97.1112.9D70 G72 G74 I78 D79 E80D70-R76 IonicContact OD2-CZ 2.83Å; D70-R76 IonicContact OD2-NH2 3.54Å; D70-R76 PolarHBondContact OD2-NH2 2.91Å; G72-R76 PolarHBondContact O-N 3.14Å; G74-R76 PolarHBondContact O-N 3.27Å; R76-I78 VanDerWaalsContact C-N 3.33Å; R76-D79 PolarHBondContact O-N 2.9Å; R76-E80 WeakPolarHBondContact O-CB 3.48Å; R76-E80 WeakPolarHBondContact O-CG 2.93Å; R76-E80 PolarHBondContact O-N 3.4Å
77Q76.8Confident77.8Confident122 Ų12298.7 Ų98.757%0.5750%0.497SS*.Hα-helixtrans-66.8-38.9176.7-66.9-179-1100110.8L73 G74 I75 Y81L73-Q77 WeakPolarHBondContact O-CG 3.44Å; L73-Q77 PolarHBondContact O-OE1 3.25Å; G74-Q77 PolarHBondContact O-N 2.95Å; I75-Q77 PolarHBondContact O-N 3.43Å; Q77-Y81 VanDerWaalsContact O-CB 3.25Å; Q77-Y81 WeakPolarHBondContact O-CB 2.96Å; Q77-Y81 PolarHBondContact O-N 3.38Å
78I84.2Confident78.6Confident105 Ų10599.2 Ų99.254%0.53850%0.501SS..Hα-helixtrans-65.3-43174.3-68.6163000110.8G74 I75 R76 Y81 A82G74-I78 VanDerWaalsContact O-CB 3.24Å; G74-I78 WeakPolarHBondContact O-CB 3.45Å; G74-I78 WeakPolarHBondContact O-CD1 3.08Å; G74-I78 WeakPolarHBondContact O-CG1 3.4Å; G74-I78 PolarHBondContact O-N 3.14Å; I75-I78 PolarHBondContact O-N 3.33Å; R76-I78 VanDerWaalsContact C-N 3.33Å; I78-Y81 PolarHBondContact O-N 2.85Å; I78-A82 WeakPolarHBondContact O-CB 3.17Å; I78-A82 PolarHBondContact O-N 3.46Å
79D86.3Confident79.4Confident96 Ų9697.2 Ų97.251%0.51350%0.497SS..Hα-helixtrans-66.7-43.8179-71.9-19.7000111.6I75 R76 A82 S83I75-D79 WeakPolarHBondContact O-CB 3.17Å; I75-D79 PolarHBondContact O-N 3.41Å; R76-D79 PolarHBondContact O-N 2.9Å; D79-A82 PolarHBondContact O-N 3.46Å; D79-S83 VanDerWaalsContact O-CB 3.32Å; D79-S83 WeakPolarHBondContact O-CB 3Å; D79-S83 PolarHBondContact O-N 2.74Å
80E87.1Confident80.4Confident139 Ų13998 Ų9865%0.6549%0.494SS*.Hα-helixtrans-59.7-47.1173.5-82.8178.8178.400110.7R76 S83 L84R76-E80 WeakPolarHBondContact O-CB 3.48Å; R76-E80 WeakPolarHBondContact O-CG 2.93Å; R76-E80 PolarHBondContact O-N 3.4Å; E80-S83 PolarHBondContact O-N 2.92Å; E80-S83 PolarHBondContact O-OG 3.46Å; E80-L84 PolarHBondContact O-N 3.33Å
81Y90.3Very high81.4Confident147 Ų14796.2 Ų96.258%0.57649%0.489SS*.Hα-helixtrans-62.6-44.9176.5178.2-111000112.4Q77 I78 S83 L84 L85Q77-Y81 VanDerWaalsContact O-CB 3.25Å; Q77-Y81 WeakPolarHBondContact O-CB 2.96Å; Q77-Y81 PolarHBondContact O-N 3.38Å; I78-Y81 PolarHBondContact O-N 2.85Å; Y81-S83 VanDerWaalsContact C-N 3.3Å; Y81-S83 PolarHBondContact O-N 3.18Å; Y81-L84 WeakPolarHBondContact O-CB 3.33Å; Y81-L84 PolarHBondContact O-N 3.02Å; Y81-L84 VanDerWaalsContact O-N 3.14Å; Y81-L85 HydrophobicContact CD1-CD1 4.04Å; Y81-L85 HydrophobicContact CD1-CG 4.45Å; Y81-L85 HydrophobicContact CE1-CD1 3.43Å; Y81-L85 VanDerWaalsContact CE1-CD1 3.43Å; Y81-L85 HydrophobicContact CE1-CG 4.04Å; Y81-L85 HydrophobicContact CE2-CD1 4.45Å; Y81-L85 HydrophobicContact CE2-CD2 4.26Å; Y81-L85 HydrophobicContact CE2-CG 4.21Å; Y81-L85 WeakPolarHBondContact O-CG 3.24Å; Y81-L85 PolarHBondContact O-N 2.67Å
82A91.9Very high82.6Confident32 Ų32100.3 Ų100.326%0.26451%0.509SS..Hα-helixtrans-62.3-38.8176.300000111.5I78 D79 L84 L85 R86I78-A82 WeakPolarHBondContact O-CB 3.17Å; I78-A82 PolarHBondContact O-N 3.46Å; D79-A82 PolarHBondContact O-N 3.46Å; A82-L84 VanDerWaalsContact C-N 3.32Å; A82-L84 PolarHBondContact O-N 3.39Å; A82-L85 PolarHBondContact O-N 3.23Å; A82-R86 WeakPolarHBondContact O-CG 3.37Å; A82-R86 PolarHBondContact O-N 3.17Å
83S93.3Very high83.4Confident48 Ų48104.1 Ų104.134%0.33652%0.521SS..Hα-helixtrans-63.7-39174.784.70000111.8D79 E80 Y81 R86 K87D79-S83 VanDerWaalsContact O-CB 3.32Å; D79-S83 WeakPolarHBondContact O-CB 3Å; D79-S83 PolarHBondContact O-N 2.74Å; E80-S83 PolarHBondContact O-N 2.92Å; E80-S83 PolarHBondContact O-OG 3.46Å; Y81-S83 VanDerWaalsContact C-N 3.3Å; Y81-S83 PolarHBondContact O-N 3.18Å; S83-R86 PolarHBondContact O-N 3.47Å; S83-K87 WeakPolarHBondContact O-CG 3.21Å; S83-K87 PolarHBondContact O-N 3.19Å
84L94Very high83.8Confident101 Ų101102.9 Ų102.953%0.52952%0.52SS..Hα-helixtrans-66.5-44.6176.7-178.3146.2000110.9E80 Y81 A82 R86 K87 L88E80-L84 PolarHBondContact O-N 3.33Å; Y81-L84 WeakPolarHBondContact O-CB 3.33Å; Y81-L84 PolarHBondContact O-N 3.02Å; Y81-L84 VanDerWaalsContact O-N 3.14Å; A82-L84 VanDerWaalsContact C-N 3.32Å; A82-L84 PolarHBondContact O-N 3.39Å; L84-R86 VanDerWaalsContact C-N 3.32Å; L84-R86 PolarHBondContact O-N 3.47Å; L84-K87 PolarHBondContact O-N 3.45Å; L84-L88 WeakPolarHBondContact O-CB 3.32Å; L84-L88 PolarHBondContact O-N 3.2Å
85L92Very high83.8Confident75 Ų75106.3 Ų106.339%0.39354%0.537SS..Hα-helixtrans-60.5-41174.4-71-177.7000112.1Y81 A82 L88 N89Y81-L85 HydrophobicContact CD1-CD1 4.04Å; Y81-L85 HydrophobicContact CD1-CG 4.45Å; Y81-L85 HydrophobicContact CE1-CD1 3.43Å; Y81-L85 VanDerWaalsContact CE1-CD1 3.43Å; Y81-L85 HydrophobicContact CE1-CG 4.04Å; Y81-L85 HydrophobicContact CE2-CD1 4.45Å; Y81-L85 HydrophobicContact CE2-CD2 4.26Å; Y81-L85 HydrophobicContact CE2-CG 4.21Å; Y81-L85 WeakPolarHBondContact O-CG 3.24Å; Y81-L85 PolarHBondContact O-N 2.67Å; A82-L85 PolarHBondContact O-N 3.23Å; L85-L88 PolarHBondContact O-N 3.42Å; L85-N89 VanDerWaalsContact O-CB 3.3Å; L85-N89 WeakPolarHBondContact O-CB 3.49Å; L85-N89 PolarHBondContact O-N 3.19Å
86R92.8Very high83.3Confident179 Ų179106.9 Ų106.968%0.67554%0.542SS*.Hα-helixtrans-61.9-46.7174.3-74.4178.6-170.1168.14.7111.8A82 S83 L84 L88 N89 N90A82-R86 WeakPolarHBondContact O-CG 3.37Å; A82-R86 PolarHBondContact O-N 3.17Å; S83-R86 PolarHBondContact O-N 3.47Å; L84-R86 VanDerWaalsContact C-N 3.32Å; L84-R86 PolarHBondContact O-N 3.47Å; R86-L88 VanDerWaalsContact C-N 3.31Å; R86-L88 PolarHBondContact O-N 3Å; R86-N89 PolarHBondContact O-N 2.89Å; R86-N90 WeakPolarHBondContact O-CB 3.41Å; R86-N90 PolarHBondContact O-N 3.42Å; R86-N90 PolarHBondContact O-ND2 3.26Å; R86-N90 PolarHBondContact O-OD1 2.66Å
87K93.7Very high82.7Confident151 Ų151110.9 Ų110.966%0.65756%0.562SS**Hα-helixtrans-57.8-45.2176.5-74.3173.7-178.8178.80111.3S83 L84 N90 S91S83-K87 WeakPolarHBondContact O-CG 3.21Å; S83-K87 PolarHBondContact O-N 3.19Å; L84-K87 PolarHBondContact O-N 3.45Å; K87-N90 PolarHBondContact O-N 3.49Å; K87-S91 PolarHBondContact O-N 2.77Å
88L92.4Very high81.7Confident101 Ų101110.5 Ų110.553%0.52957%0.568SS.*Hα-helixtrans-64.5-46.3178.6-175.465.9000111.8L84 L85 R86 N90 S91 H92L84-L88 WeakPolarHBondContact O-CB 3.32Å; L84-L88 PolarHBondContact O-N 3.2Å; L85-L88 PolarHBondContact O-N 3.42Å; R86-L88 VanDerWaalsContact C-N 3.31Å; R86-L88 PolarHBondContact O-N 3Å; L88-N90 VanDerWaalsContact C-N 3.33Å; L88-N90 PolarHBondContact O-N 2.95Å; L88-S91 WeakPolarHBondContact O-CB 3.4Å; L88-S91 PolarHBondContact O-N 2.89Å; L88-H92 PolarHBondContact O-N 2.98Å
89N91.9Very high80.4Confident96 Ų96112.1 Ų112.151%0.51358%0.578SS.*Hα-helixtrans-64.6-40179.1-16113000111.1L85 R86 S91 H92 N93L85-N89 VanDerWaalsContact O-CB 3.3Å; L85-N89 WeakPolarHBondContact O-CB 3.49Å; L85-N89 PolarHBondContact O-N 3.19Å; R86-N89 PolarHBondContact O-N 2.89Å; N89-S91 VanDerWaalsContact C-N 3.31Å; N89-S91 PolarHBondContact O-N 3.04Å; N89-H92 PolarHBondContact O-N 2.92Å; N89-N93 PolarHBondContact O-N 3.49Å; N89-N93 VanDerWaalsContact O-N 3.1Å; N89-N93 PolarHBondContact O-ND2 3.48Å; N89-N93 PolarHBondContact OD1-ND2 3.31Å
90N89.8Confident79Confident109 Ų109111.4 Ų111.458%0.58358%0.579SS**Hα-helixtrans-61.2-41.1174-69.1-5.6000111.4R86 K87 L88 H92 N93 S94R86-N90 WeakPolarHBondContact O-CB 3.41Å; R86-N90 PolarHBondContact O-N 3.42Å; R86-N90 PolarHBondContact O-ND2 3.26Å; R86-N90 PolarHBondContact O-OD1 2.66Å; K87-N90 PolarHBondContact O-N 3.49Å; L88-N90 VanDerWaalsContact C-N 3.33Å; L88-N90 PolarHBondContact O-N 2.95Å; N90-H92 VanDerWaalsContact C-N 3.33Å; N90-H92 PolarHBondContact O-N 2.8Å; N90-N93 PolarHBondContact O-N 2.89Å; N90-S94 PolarHBondContact O-N 3.38Å; N90-S94 PolarHBondContact O-OG 3.38Å
91S84.7Confident77.6Confident52 Ų52108.7 Ų108.736%0.36457%0.568SS.*Hα-helixtrans-66.5-29.9176.4-1770000113.6K87 L88 N89 I101K87-S91 PolarHBondContact O-N 2.77Å; L88-S91 WeakPolarHBondContact O-CB 3.4Å; L88-S91 PolarHBondContact O-N 2.89Å; N89-S91 VanDerWaalsContact C-N 3.31Å; N89-S91 PolarHBondContact O-N 3.04Å; S91-I101 WeakPolarHBondContact OG-CD1 3.3Å
92H79.5Confident76Confident165 Ų165106.8 Ų106.876%0.76458%0.576SS**Hα-helixtrans-81-26177.7-169.2-81.7000112.5L88 N89 N90L88-H92 PolarHBondContact O-N 2.98Å; N89-H92 PolarHBondContact O-N 2.92Å; N90-H92 VanDerWaalsContact C-N 3.33Å; N90-H92 PolarHBondContact O-N 2.8Å
93N74.3Confident74.3Confident112 Ų112113.3 Ų113.360%0.59960%0.601SS**Hα-helixtrans-91.7-17.1179.6-67.3-56.5000114N89 N90 S95N89-N93 PolarHBondContact O-N 3.49Å; N89-N93 VanDerWaalsContact O-N 3.1Å; N89-N93 PolarHBondContact O-ND2 3.48Å; N89-N93 PolarHBondContact OD1-ND2 3.31Å; N90-N93 PolarHBondContact O-N 2.89Å; N93-S95 PolarHBondContact O-N 2.76Å
94S65.3Low72.5Confident61 Ų61117.8 Ų117.843%0.42761%0.612SS.*SBendtrans-83.6112.3171.832.10000108.7N90 D96N90-S94 PolarHBondContact O-N 3.38Å; N90-S94 PolarHBondContact O-OG 3.38Å; S94-D96 PolarHBondContact O-N 2.98Å
95S61.1Low70.5Confident113 Ų113118.3 Ų118.379%0.7961%0.614SS**  trans-64.45.2178.650.40000114.5N93 K97N93-S95 PolarHBondContact O-N 2.76Å; S95-K97 PolarHBondContact O-N 2.68Å
96D58.2Low68.4Low125 Ų125118 Ų11867%0.66862%0.617SS**  trans-85.392.6179.5-66.3-29.7000109.4S94 T98S94-D96 PolarHBondContact O-N 2.98Å; D96-T98 PolarHBondContact O-N 3.49Å
97K58Low66.3Low199 Ų199116 Ų11687%0.86562%0.617SS**  trans-64.868.3169.7-61.3177.2-176.4174.30110.4S95S95-K97 PolarHBondContact O-N 2.68Å
98T55.6Low64.8Low114 Ų114112.9 Ų112.970%0.69961%0.614SS**  trans-127.4100.7165.260.70000106.3D96 P100D96-T98 PolarHBondContact O-N 3.49Å; T98-P100 WeakPolarHBondContact O-CD 3.36Å
99N55.7Low62.8Low139 Ų139117.9 Ų117.974%0.74363%0.626SS**  trans-84.7118.2-174.6-67.3-43.2000110
100P56.6Low61.1Low82 Ų82121.6 Ų121.653%0.53263%0.633SS.*  trans-107.837.2152.338.9-34.4000110.5T98 Y104T98-P100 WeakPolarHBondContact O-CD 3.36Å; P100-Y104 WeakPolarHBondContact O-CE1 3.26Å; P100-Y104 PolarHBondContact O-OH 3.28Å
101I58.5Low59.3Low81 Ų81122.2 Ų122.242%0.41565%0.646SS.*  trans-103.539.1-179.5-42.7-178.7000111.6S91 Y104S91-I101 WeakPolarHBondContact OG-CD1 3.3Å; I101-Y104 WeakPolarHBondContact CA-OH 3.4Å; I101-Y104 WeakPolarHBondContact CG1-OH 3.33Å; I101-Y104 HydrophobicContact CG2-CE2 3.93Å
102S57.2Low58Low107 Ų107123.2 Ų123.275%0.74866%0.664SS**SBendtrans-118-5.5169.658.50000113.5
103E56.3Low57Low170 Ų170123.3 Ų123.379%0.79467%0.667SS**SBendtrans-97.1-4.2-167.9-92.4-176.715600116.8
104Y55.4Low56.5Low142 Ų142127.8 Ų127.856%0.55768%0.681SS**SBendtrans-135.417.3-168.331.4-95.6000116.8P100 I101P100-Y104 WeakPolarHBondContact O-CE1 3.26Å; P100-Y104 PolarHBondContact O-OH 3.28Å; I101-Y104 WeakPolarHBondContact CA-OH 3.4Å; I101-Y104 WeakPolarHBondContact CG1-OH 3.33Å; I101-Y104 HydrophobicContact CG2-CE2 3.93Å
105L52.4Low56.2Low111 Ų111128.8 Ų128.858%0.58169%0.685SS**SBendtrans-108.6120.9170-62.8-179000110.5M107L105-M107 PolarHBondContact O-N 2.82Å
106P48Very low55.9Low69 Ų69131.4 Ų131.445%0.44869%0.689SS.*  trans-61.5125.9175.225.8-32.1000109.1S108 W109P106-S108 PolarHBondContact O-N 3.39Å; P106-W109 HydrophobicContact CG-CE3 3.77Å; P106-W109 HydrophobicContact CG-CH2 3.77Å; P106-W109 HydrophobicContact CG-CZ3 3.35Å
107M47.9Very low55.9Low137 Ų137131.2 Ų131.268%0.67568%0.684SS**G310 helixtrans-61.8-6.1-174.8-148.7110.6-64.100113.7L105 W109L105-M107 PolarHBondContact O-N 2.82Å; M107-W109 PolarHBondContact O-N 2.96Å
108S62Low56Low86 Ų86125 Ų12560%0.60167%0.67SS**G310 helixtrans-75.4-14.7-171.557.20000115.5P106P106-S108 PolarHBondContact O-N 3.39Å
109W51.6Low56.6Low206 Ų206128.7 Ų128.778%0.7868%0.676SS**G310 helixtrans-96.22.2-178.3-64.2-47.6000115.2P106 M107P106-W109 HydrophobicContact CG-CE3 3.77Å; P106-W109 HydrophobicContact CG-CH2 3.77Å; P106-W109 HydrophobicContact CG-CZ3 3.35Å; M107-W109 PolarHBondContact O-N 2.96Å
110R54.3Low57.4Low174 Ų174125.5 Ų125.566%0.65766%0.659SS**  trans-100.918.2-179.5-64.7-143.9-67.9-103.63.1115.1G112R110-G112 PolarHBondContact O-N 3.43Å; R110-G112 VanDerWaalsContact O-N 3.08Å
111S52.5Low58.2Low122 Ų122124.6 Ų124.685%0.85366%0.658SS**SBendtrans-78.585169.9174.30000110.2
112G58Low59.1Low72 Ų72125.4 Ų125.474%0.74267%0.671SS**SBendtrans152.1-13.5166.700000117.5R110R110-G112 PolarHBondContact O-N 3.43Å; R110-G112 VanDerWaalsContact O-N 3.08Å
113M59.2Low60Low168 Ų168126.9 Ų126.983%0.82866%0.664SS**  trans-105.298.3-178.3-67.6177.575.500110.6T115M113-T115 VanDerWaalsContact C-N 3.27Å; M113-T115 PolarHBondContact O-N 3.38Å
114K62.8Low61.3Low205 Ų205124.2 Ų124.289%0.89165%0.648SS**  trans-72.487.6162.5-61.7179-175.8179.40107L116K114-L116 PolarHBondContact O-N 3.29Å
115T58.8Low62.7Low83 Ų83119.3 Ų119.351%0.50964%0.641SS.*  trans-56.1134.6171.226.80000109M113 E117 A118M113-T115 VanDerWaalsContact C-N 3.27Å; M113-T115 PolarHBondContact O-N 3.38Å; T115-E117 PolarHBondContact O-N 2.97Å; T115-A118 WeakPolarHBondContact O-CB 3.46Å; T115-A118 PolarHBondContact O-N 3.48Å
116L54.9Low64.3Low168 Ų168122.4 Ų122.488%0.8865%0.652SS**G310 helixtrans-55.9-18.9175.4-75.2162.4000112.5K114 A118K114-L116 PolarHBondContact O-N 3.29Å; L116-A118 VanDerWaalsContact C-N 3.26Å; L116-A118 PolarHBondContact O-N 2.85Å
117E57.6Low66Low120 Ų120126 Ų12656%0.56166%0.663SS**G310 helixtrans-64.7-21172.2-74.9-165.1117.500114.9T115 K119 K123T115-E117 PolarHBondContact O-N 2.97Å; E117-K119 PolarHBondContact O-N 3.45Å; E117-K123 IonicContact OE1-NZ 3.09Å; E117-K123 PolarHBondContact OE1-NZ 3.06Å; E117-K123 VanDerWaalsContact OE1-NZ 3.09Å
118A61.1Low67.8Low69 Ų69123.6 Ų123.657%0.5765%0.653SS**G310 helixtrans-70.3-1.1-176.800000114.5T115 L116T115-A118 WeakPolarHBondContact O-CB 3.46Å; T115-A118 PolarHBondContact O-N 3.48Å; L116-A118 VanDerWaalsContact C-N 3.26Å; L116-A118 PolarHBondContact O-N 2.85Å
119K68.7Low68.8Low191 Ų191121.8 Ų121.883%0.8364%0.636SS**G310 helixtrans-112.7-11.7-176.8-67.4-170.9175.1-175.70115E117 A121E117-K119 PolarHBondContact O-N 3.45Å; K119-A121 PolarHBondContact O-N 3.22Å
120D71Confident70.4Confident72 Ų72113.9 Ų113.939%0.38561%0.612SS.*  trans-90.496.9-177.1-168.6-2000110.7S122 Y124D120-S122 PolarHBondContact O-N 2.94Å; D120-S122 VanDerWaalsContact OD1-CB 3.3Å; D120-S122 WeakPolarHBondContact OD1-CB 3.35Å; D120-S122 PolarHBondContact OD1-N 3.43Å; D120-S122 VanDerWaalsContact OD1-N 3.16Å; D120-S122 PolarHBondContact OD1-OG 3.1Å; D120-S122 PolarHBondContact OD2-OG 2.78Å; D120-Y124 WeakPolarHBondContact O-CE2 3.34Å
121A73.8Confident71.6Confident63 Ų63111.8 Ų111.852%0.52161%0.612SS.*G310 helixtrans-68.4-13179.800000113.3K119 K123K119-A121 PolarHBondContact O-N 3.22Å; A121-K123 VanDerWaalsContact C-N 3.27Å; A121-K123 PolarHBondContact O-N 2.99Å
122S78.3Confident73.1Confident98 Ų98111.6 Ų111.669%0.68561%0.606SS**G310 helixtrans-71.4-19-176.271.10000114.2D120D120-S122 PolarHBondContact O-N 2.94Å; D120-S122 VanDerWaalsContact OD1-CB 3.3Å; D120-S122 WeakPolarHBondContact OD1-CB 3.35Å; D120-S122 PolarHBondContact OD1-N 3.43Å; D120-S122 VanDerWaalsContact OD1-N 3.16Å; D120-S122 PolarHBondContact OD1-OG 3.1Å; D120-S122 PolarHBondContact OD2-OG 2.78Å
123K76.4Confident74.3Confident139 Ų139113.3 Ų113.360%0.60460%0.598SS**G310 helixtrans-89-14.4-177.4-62.9-171.3-176.7-174.40114.2E117 A121E117-K123 IonicContact OE1-NZ 3.09Å; E117-K123 PolarHBondContact OE1-NZ 3.06Å; E117-K123 VanDerWaalsContact OE1-NZ 3.09Å; A121-K123 VanDerWaalsContact C-N 3.27Å; A121-K123 PolarHBondContact O-N 2.99Å
124Y82.8Confident75.1Confident114 Ų114108 Ų10845%0.44759%0.586SS.*SBendtrans-84.9136.1-177.6-64.8-83.1000110.6D120 L129D120-Y124 WeakPolarHBondContact O-CE2 3.34Å; Y124-L129 HydrophobicContact CG-CD2 4.33Å
125G85.3Confident75.7Confident39 Ų39104 Ų10440%0.40257%0.57SS.*  trans-64.7155.2173.900000111.4Q127 D128 L129G125-Q127 PolarHBondContact O-N 2.64Å; G125-Q127 VanDerWaalsContact O-N 3.15Å; G125-D128 PolarHBondContact O-N 2.96Å; G125-D128 VanDerWaalsContact O-N 3.07Å; G125-L129 WeakPolarHBondContact O-CG 3.5Å; G125-L129 PolarHBondContact O-N 2.92Å
126Q85.9Confident75.7Confident175 Ų175106.6 Ų106.682%0.81859%0.586SS**Hα-helixtrans-60.9-28-178.5-170.1159.26.600113S130Q126-S130 WeakPolarHBondContact O-CB 3.4Å; Q126-S130 PolarHBondContact O-N 3.37Å
127Q82.8Confident75.9Confident145 Ų145105.5 Ų105.568%0.67858%0.576SS**Hα-helixtrans-66.9-50172.6-66.4176.9-2.200111.4G125 L129 S130 I131G125-Q127 PolarHBondContact O-N 2.64Å; G125-Q127 VanDerWaalsContact O-N 3.15Å; Q127-L129 VanDerWaalsContact C-N 3.34Å; Q127-L129 PolarHBondContact O-N 3.38Å; Q127-S130 WeakPolarHBondContact O-CB 3.39Å; Q127-S130 PolarHBondContact O-N 3.44Å; Q127-S130 VanDerWaalsContact O-N 3.09Å; Q127-S130 PolarHBondContact O-OG 3.48Å; Q127-I131 WeakPolarHBondContact O-CG1 2.84Å; Q127-I131 PolarHBondContact O-N 3.33Å; Q127-I131 VanDerWaalsContact O-N 3.14Å
128D85.3Confident75.7Confident87 Ų87105.3 Ų105.347%0.46559%0.585SS.*Hα-helixtrans-62.9-42.1178.3-64.8-22000111.7G125 S130 I131 V132G125-D128 PolarHBondContact O-N 2.96Å; G125-D128 VanDerWaalsContact O-N 3.07Å; D128-S130 VanDerWaalsContact C-N 3.29Å; D128-S130 PolarHBondContact O-N 3.13Å; D128-I131 PolarHBondContact O-N 2.94Å; D128-V132 WeakPolarHBondContact O-CG2 3.39Å; D128-V132 PolarHBondContact O-N 2.91Å
129L84.8Confident75.3Confident48 Ų48109.7 Ų109.725%0.25159%0.592SS.*Hα-helixtrans-61-38.2173.6-69.8175.9000111.6Y124 G125 Q127 I131 V132 L133Y124-L129 HydrophobicContact CG-CD2 4.33Å; G125-L129 WeakPolarHBondContact O-CG 3.5Å; G125-L129 PolarHBondContact O-N 2.92Å; Q127-L129 VanDerWaalsContact C-N 3.34Å; Q127-L129 PolarHBondContact O-N 3.38Å; L129-I131 VanDerWaalsContact C-N 3.32Å; L129-I131 PolarHBondContact O-N 3.14Å; L129-V132 PolarHBondContact O-N 3.38Å; L129-L133 HydrophobicContact CB-CD1 4.15Å; L129-L133 WeakPolarHBondContact O-CB 3.18Å; L129-L133 WeakPolarHBondContact O-CD1 3.43Å; L129-L133 WeakPolarHBondContact O-CG 3.41Å; L129-L133 PolarHBondContact O-N 3.18Å
130S83.2Confident74.3Confident39 Ų39108.3 Ų108.327%0.27359%0.593SS.*Hα-helixtrans-64.7-35.917775.60000112.9Q126 Q127 D128 G134 H135Q126-S130 WeakPolarHBondContact O-CB 3.4Å; Q126-S130 PolarHBondContact O-N 3.37Å; Q127-S130 WeakPolarHBondContact O-CB 3.39Å; Q127-S130 PolarHBondContact O-N 3.44Å; Q127-S130 VanDerWaalsContact O-N 3.09Å; Q127-S130 PolarHBondContact O-OG 3.48Å; D128-S130 VanDerWaalsContact C-N 3.29Å; D128-S130 PolarHBondContact O-N 3.13Å; S130-G134 PolarHBondContact O-N 2.98Å; S130-G134 VanDerWaalsContact O-N 3.15Å; S130-H135 PolarHBondContact O-N 3.11Å; S130-H135 VanDerWaalsContact O-N 3.07Å
131I79.6Confident73.3Confident130 Ų130113.3 Ų113.367%0.66761%0.611SS**Hα-helixtrans-68.2-48.5176.5-63.6166.5000110.3Q127 D128 L129Q127-I131 WeakPolarHBondContact O-CG1 2.84Å; Q127-I131 PolarHBondContact O-N 3.33Å; Q127-I131 VanDerWaalsContact O-N 3.14Å; D128-I131 PolarHBondContact O-N 2.94Å; L129-I131 VanDerWaalsContact C-N 3.32Å; L129-I131 PolarHBondContact O-N 3.14Å
132V83.9Confident71.9Confident118 Ų118117.7 Ų117.772%0.71562%0.621SS**Hα-helixtrans-70.2-41.5-177.4175.40000111.9D128 L129 G134D128-V132 WeakPolarHBondContact O-CG2 3.39Å; D128-V132 PolarHBondContact O-N 2.91Å; L129-V132 PolarHBondContact O-N 3.38Å; V132-G134 VanDerWaalsContact C-N 3.26Å; V132-G134 PolarHBondContact O-N 3.1Å
133L84.3Confident70.5Confident109 Ų109123 Ų12357%0.57163%0.632SS**THydrogen-bonded Turntrans-85.32.6-177.5-59.6169.1000112.7L129 H135L129-L133 HydrophobicContact CB-CD1 4.15Å; L129-L133 WeakPolarHBondContact O-CB 3.18Å; L129-L133 WeakPolarHBondContact O-CD1 3.43Å; L129-L133 WeakPolarHBondContact O-CG 3.41Å; L129-L133 PolarHBondContact O-N 3.18Å; L133-H135 VanDerWaalsContact CB-ND1 3.3Å; L133-H135 WeakPolarHBondContact CB-ND1 3.16Å; L133-H135 PolarHBondContact O-N 3.24Å; L133-H135 VanDerWaalsContact O-N 3.08Å; L133-H135 PolarHBondContact O-ND1 3.44Å
134G76Confident68.7Low56 Ų56122.7 Ų122.758%0.57764%0.635SS**THydrogen-bonded Turntrans58.524.3179.200000114.1S130 V132 T136S130-G134 PolarHBondContact O-N 2.98Å; S130-G134 VanDerWaalsContact O-N 3.15Å; V132-G134 VanDerWaalsContact C-N 3.26Å; V132-G134 PolarHBondContact O-N 3.1Å; G134-T136 PolarHBondContact O-N 2.94Å
135H75.5Confident66.6Low122 Ų122121.8 Ų121.857%0.56565%0.651SS**  trans-75.9102175.8-7459.5000107.6S130 L133 Q137S130-H135 PolarHBondContact O-N 3.11Å; S130-H135 VanDerWaalsContact O-N 3.07Å; L133-H135 VanDerWaalsContact CB-ND1 3.3Å; L133-H135 WeakPolarHBondContact CB-ND1 3.16Å; L133-H135 PolarHBondContact O-N 3.24Å; L133-H135 VanDerWaalsContact O-N 3.08Å; L133-H135 PolarHBondContact O-ND1 3.44Å; H135-Q137 PolarHBondContact O-N 3.24Å
136T58.2Low64.6Low137 Ų137125 Ų12584%0.8467%0.667SS**  trans-69.675.7172.155.60000109.3G134G134-T136 PolarHBondContact O-N 2.94Å
137Q59.3Low62.3Low145 Ų145121.5 Ų121.568%0.67866%0.66SS**  trans-78.8122.3161.8-73.3-67.8-13.800107.1H135 F139H135-Q137 PolarHBondContact O-N 3.24Å; Q137-F139 PolarHBondContact O-N 3.13Å
138P53.5Low60.2Low115 Ų115122.1 Ų122.175%0.74767%0.668SS**  trans-75.370.1175.533.3-33.3000108.4L140P138-L140 PolarHBondContact O-N 3.46Å; P138-L140 VanDerWaalsContact O-N 3.12Å
139F52.2Low57.9Low161 Ų161122.4 Ų122.471%0.70668%0.683SS**  trans-86.655.1167.3-162-95.9000109.5Q137 K141Q137-F139 PolarHBondContact O-N 3.13Å; F139-K141 VanDerWaalsContact C-N 3.34Å
140L48.1Very low56.1Low163 Ų163125.4 Ų125.485%0.85371%0.707SS**  trans-94.776.6154.3-69.3180000106.6P138 E142P138-L140 PolarHBondContact O-N 3.46Å; P138-L140 VanDerWaalsContact O-N 3.12Å; L140-E142 VanDerWaalsContact C-N 3.25Å; L140-E142 PolarHBondContact O-N 3.1Å
141K50.7Low54Low176 Ų176128.3 Ų128.377%0.76573%0.734SS**  trans-78.193.1149.9-109.8179.9179.2179.20106.1F139 K143F139-K141 VanDerWaalsContact C-N 3.34Å; K141-K143 PolarHBondContact O-N 3.11Å
142E44.5Very low52.4Low156 Ų156130.9 Ų130.973%0.72974%0.743SS**  trans-33108.9158.7-89.3173.914600110.6L140 I144L140-E142 VanDerWaalsContact C-N 3.25Å; L140-E142 PolarHBondContact O-N 3.1Å; E142-I144 HydrophobicContact CB-CD1 4.15Å; E142-I144 HydrophobicContact CB-CG1 3.98Å; E142-I144 HydrophobicContact CG-CD1 3.89Å; E142-I144 HydrophobicContact CG-CG1 4.03Å; E142-I144 PolarHBondContact O-N 3.26Å; E142-I144 WeakPolarHBondContact OE1-CD1 3.34Å
143K47.9Very low50.5Low210 Ų210135 Ų13591%0.91375%0.751SS**  trans-81.674.6150.2-78.1-168.7175-174.60107.3K141 A145K141-K143 PolarHBondContact O-N 3.11Å; K143-A145 PolarHBondContact O-N 3.1Å
144I39.6Very low48.9Very low131 Ų131134 Ų13467%0.67275%0.753SS**  trans-82.797.2158.3-66.1170.8000106.5E142E142-I144 HydrophobicContact CB-CD1 4.15Å; E142-I144 HydrophobicContact CB-CG1 3.98Å; E142-I144 HydrophobicContact CG-CD1 3.89Å; E142-I144 HydrophobicContact CG-CG1 4.03Å; E142-I144 PolarHBondContact O-N 3.26Å; E142-I144 WeakPolarHBondContact OE1-CD1 3.34Å
145A38.8Very low47.2Very low95 Ų95139 Ų13979%0.78577%0.767SS**  trans176.7121159.900000105.4K143K143-A145 PolarHBondContact O-N 3.1Å
146S43.1Very low45.8Very low107 Ų107139.2 Ų139.275%0.74878%0.781SS**  cis-158.7148.616.91740000106.3
147P37.2Very low45.8Very low101 Ų101140.4 Ų140.466%0.65678%0.776SS**  trans-69.1156.5170.832.6-33.1000109.2
148N38.7Very low46Very low158 Ų158140.3 Ų140.385%0.84578%0.779SS**  trans99.790.3175.9-47.8-23.5000115.1
149A36.5Very low46.8Very low94 Ų94140.4 Ų140.478%0.77778%0.78SS**  trans-176.7115.7136.200000112.6
150S46.5Very low47.6Very low110 Ų110138.3 Ų138.377%0.76978%0.781SS**  trans36.8115.2148.654.30000121.2E152S150-E152 PolarHBondContact O-N 3.32Å
151A39.2Very low49Very low100 Ų100136.9 Ų136.983%0.82678%0.778SS**  trans-61.3115.5167.800000113.1
152E46.2Very low50.4Low185 Ų185135.9 Ų135.986%0.86478%0.779SS**  trans-111120.6159.7-68.4-164.3168.500109.4S150 S154S150-E152 PolarHBondContact O-N 3.32Å; E152-S154 PolarHBondContact O-N 3.38Å
153K44.9Very low52.1Low205 Ų205131.3 Ų131.389%0.89177%0.765SS**  trans-80.5103.2-177.1-65.3175.6-179.8176.10108.5D155K153-D155 PolarHBondContact O-N 3.28Å
154S50.9Low53.8Low87 Ų87127.7 Ų127.761%0.60876%0.763SS**  trans-79.7114163.1530000109.4E152 C156E152-S154 PolarHBondContact O-N 3.38Å; S154-C156 VanDerWaalsContact C-N 3.31Å; S154-C156 PolarHBondContact O-N 2.96Å
155D40.6Very low55.9Low161 Ų161124.2 Ų124.286%0.86175%0.745SS**SBendtrans-75.673.6-174.7-16819.3000110.8K153K153-D155 PolarHBondContact O-N 3.28Å
156C46Very low58.1Low127 Ų127123.1 Ų123.186%0.85873%0.732SS**  trans-161.737.7168.2-86.70000110.6S154S154-C156 VanDerWaalsContact C-N 3.31Å; S154-C156 PolarHBondContact O-N 2.96Å
157Q57.5Low60.1Low161 Ų161122.9 Ų122.975%0.75273%0.725SS**  trans-101.1100177.6-74.41761100109.7P159Q157-P159 VanDerWaalsContact O-CD 3.29Å; Q157-P159 WeakPolarHBondContact O-CD 3.35Å
158I63.4Low62.6Low143 Ų143122.1 Ų122.173%0.73372%0.723SS**  trans-63.5117.2166-58167.5000106.4T160I158-T160 PolarHBondContact O-N 3.29Å; I158-T160 PolarHBondContact O-OG1 2.76Å
159P69.8Low65Low117 Ų117119.6 Ų119.676%0.7671%0.706SS**  trans-63.8100.5177.325.8-32.5000108.5Q157 V161Q157-P159 VanDerWaalsContact O-CD 3.29Å; Q157-P159 WeakPolarHBondContact O-CD 3.35Å; P159-V161 PolarHBondContact O-N 3.13Å
160T70.6Confident67.5Low118 Ų118121.3 Ų121.372%0.72469%0.693SS**  trans-87.2108.6177.6-57.40000107.9I158 I162I158-T160 PolarHBondContact O-N 3.29Å; I158-T160 PolarHBondContact O-OG1 2.76Å; T160-I162 PolarHBondContact O-N 3.17Å
161V76.2Confident69.6Low132 Ų132121.7 Ų121.780%0.868%0.681SS**  trans-84.9107.8173.2179.50000108.2P159 S163P159-V161 PolarHBondContact O-N 3.13Å; V161-S163 PolarHBondContact O-N 3.26Å
162I79.4Confident71.9Confident155 Ų155119.3 Ų119.380%0.79566%0.662SS**  trans-77.5105.4173-56.6174000107.6T160T160-I162 PolarHBondContact O-N 3.17Å
163S80.2Confident73.9Confident60 Ų60115.4 Ų115.442%0.4264%0.642SS.*  trans-77138.9170.266.60000110.1V161 L165V161-S163 PolarHBondContact O-N 3.26Å; S163-L165 PolarHBondContact O-N 3.1Å
164P84.3Confident75.9Confident135 Ų135107.9 Ų107.988%0.87762%0.617SS**SBendtrans-712.4179.330.6-37000114.2
165L83.2Confident77.6Confident58 Ų58111.8 Ų111.830%0.30462%0.624SS.*SBendtrans-83.1138-174.5-60.7175000111S163 E169 K173S163-L165 PolarHBondContact O-N 3.1Å; L165-E169 HydrophobicContact CD2-CG 4.39Å; L165-E169 WeakPolarHBondContact CD2-OE2 3.41Å; L165-K173 HydrophobicContact CD1-CD 4.24Å
166S85.8Confident79.7Confident71 Ų71112.9 Ų112.950%0.49762%0.62SS.*  trans-61.2149.7167.6176.50000110.5S168 E169 Y170S166-S168 PolarHBondContact O-N 3.23Å; S166-S168 PolarHBondContact OG-OG 2.96Å; S166-E169 WeakPolarHBondContact O-CB 3.42Å; S166-E169 PolarHBondContact O-N 3.43Å; S166-Y170 PolarHBondContact O-N 3.17Å
167V85.6Confident81.2Confident102 Ų102115.6 Ų115.662%0.61861%0.613SS**Hα-helixtrans-53.3-41179.3176.30000111.6E169 Y170 F171V167-E169 VanDerWaalsContact C-N 3.33Å; V167-E169 PolarHBondContact O-N 3.22Å; V167-Y170 PolarHBondContact O-N 3.1Å; V167-F171 HydrophobicContact CG1-CD2 3.74Å; V167-F171 HydrophobicContact CG1-CE2 3.38Å; V167-F171 WeakPolarHBondContact O-CD2 3.39Å; V167-F171 PolarHBondContact O-N 3.49Å; V167-F171 VanDerWaalsContact O-N 3.16Å
168S89.2Confident81.4Confident85 Ų85117.9 Ų117.959%0.59461%0.614SS**Hα-helixtrans-63.2-40.517859.10000112.2S166 F171 A172S166-S168 PolarHBondContact O-N 3.23Å; S166-S168 PolarHBondContact OG-OG 2.96Å; S168-F171 PolarHBondContact O-N 3.28Å; S168-A172 PolarHBondContact O-N 3.45Å
169E90.1Very high81.4Confident106 Ų106116.2 Ų116.250%0.49561%0.613SS.*Hα-helixtrans-71.6-38.8-178.9-157.4179.7-170.700111.5L165 S166 V167 A172 K173L165-E169 HydrophobicContact CD2-CG 4.39Å; L165-E169 WeakPolarHBondContact CD2-OE2 3.41Å; S166-E169 WeakPolarHBondContact O-CB 3.42Å; S166-E169 PolarHBondContact O-N 3.43Å; V167-E169 VanDerWaalsContact C-N 3.33Å; V167-E169 PolarHBondContact O-N 3.22Å; E169-A172 PolarHBondContact O-N 2.95Å; E169-K173 WeakPolarHBondContact O-CB 3.18Å; E169-K173 PolarHBondContact O-N 3.38Å
170Y87.6Confident80.7Confident129 Ų129119.6 Ų119.651%0.50662%0.619SS.*Hα-helixtrans-57.3-49.2172.1175.8-95.5000111.5S166 V167 A172 K173 A174S166-Y170 PolarHBondContact O-N 3.17Å; V167-Y170 PolarHBondContact O-N 3.1Å; Y170-A172 PolarHBondContact O-N 3.45Å; Y170-K173 PolarHBondContact O-N 3.25Å; Y170-A174 WeakPolarHBondContact O-CB 3.31Å; Y170-A174 PolarHBondContact O-N 3.49Å
171F91.2Very high79.6Confident119 Ų119118.8 Ų118.852%0.52262%0.618SS.*Hα-helixtrans-68.5-34.7179.8-72.5-60000113V167 S168 K173 A174 K175V167-F171 HydrophobicContact CG1-CD2 3.74Å; V167-F171 HydrophobicContact CG1-CE2 3.38Å; V167-F171 WeakPolarHBondContact O-CD2 3.39Å; V167-F171 PolarHBondContact O-N 3.49Å; V167-F171 VanDerWaalsContact O-N 3.16Å; S168-F171 PolarHBondContact O-N 3.28Å; F171-K173 VanDerWaalsContact C-N 3.34Å; F171-A174 PolarHBondContact O-N 3.01Å; F171-K175 WeakPolarHBondContact O-CG 3.28Å; F171-K175 PolarHBondContact O-N 3.41Å
172A88.1Confident78.2Confident50 Ų50119.9 Ų119.941%0.41361%0.614SS.*Hα-helixtrans-62.7-42.2172.600000111.5S168 E169 Y170 K176S168-A172 PolarHBondContact O-N 3.45Å; E169-A172 PolarHBondContact O-N 2.95Å; Y170-A172 PolarHBondContact O-N 3.45Å; A172-K176 WeakPolarHBondContact O-CG 3.41Å; A172-K176 PolarHBondContact O-N 3.36Å
173K88.4Confident76.6Confident103 Ų103118.4 Ų118.445%0.44862%0.615SS.*Hα-helixtrans-67.3-39.7176.3-171173.7-176.3173.20112.2L165 E169 Y170 F171 K176 R177L165-K173 HydrophobicContact CD1-CD 4.24Å; E169-K173 WeakPolarHBondContact O-CB 3.18Å; E169-K173 PolarHBondContact O-N 3.38Å; Y170-K173 PolarHBondContact O-N 3.25Å; F171-K173 VanDerWaalsContact C-N 3.34Å; K173-K176 PolarHBondContact O-N 3.31Å; K173-R177 WeakPolarHBondContact O-CG 3.46Å; K173-R177 PolarHBondContact O-N 3.02Å
174A86.2Confident75.1Confident46 Ų46123.8 Ų123.838%0.3863%0.633SS.*Hα-helixtrans-64.9-42.617700000112.2Y170 F171 K176 R177Y170-A174 WeakPolarHBondContact O-CB 3.31Å; Y170-A174 PolarHBondContact O-N 3.49Å; F171-A174 PolarHBondContact O-N 3.01Å; A174-K176 VanDerWaalsContact C-N 3.31Å; A174-K176 PolarHBondContact O-N 3.09Å; A174-R177 PolarHBondContact O-N 3.41Å
175K86.1Confident72.8Confident170 Ų170123.8 Ų123.874%0.73963%0.631SS**Hα-helixtrans-61.8-36177.1-77.2-177.8179.9-178.50113F171 R177F171-K175 WeakPolarHBondContact O-CG 3.28Å; F171-K175 PolarHBondContact O-N 3.41Å; K175-R177 VanDerWaalsContact C-N 3.32Å; K175-R177 PolarHBondContact O-N 3.01Å
176K84.4Confident70.5Confident183 Ų183126.8 Ų126.880%0.79666%0.656SS**Hα-helixtrans-72.3-21.6178-71.4-178.9-179.6-177.20113.9A172 K173 A174 R178A172-K176 WeakPolarHBondContact O-CG 3.41Å; A172-K176 PolarHBondContact O-N 3.36Å; K173-K176 PolarHBondContact O-N 3.31Å; A174-K176 VanDerWaalsContact C-N 3.31Å; A174-K176 PolarHBondContact O-N 3.09Å; K176-R178 VanDerWaalsContact C-N 3.34Å
177R77.5Confident68.1Low184 Ų184126.9 Ų126.969%0.69467%0.668SS**THydrogen-bonded Turntrans-83.6-0.9-177.7-77.2-178.7171.8-176.9-5.4114.5K173 A174 K175 P179K173-R177 WeakPolarHBondContact O-CG 3.46Å; K173-R177 PolarHBondContact O-N 3.02Å; A174-R177 PolarHBondContact O-N 3.41Å; K175-R177 VanDerWaalsContact C-N 3.32Å; K175-R177 PolarHBondContact O-N 3.01Å; R177-P179 WeakPolarHBondContact O-CD 3.41Å
178R62.8Low65.8Low209 Ų209130.5 Ų130.579%0.78968%0.683SS**  trans-63.5116.5171.8-100-177177.3150.5-0.6108.8K176 Q180K176-R178 VanDerWaalsContact C-N 3.34Å; R178-Q180 PolarHBondContact O-N 3.37Å
179P62.2Low63.6Low109 Ų109130.8 Ų130.871%0.70869%0.69SS**  trans-63.1124.3167.525.9-29.2000107.3R177 S181R177-P179 WeakPolarHBondContact O-CD 3.41Å; P179-S181 PolarHBondContact O-N 3.05Å
180Q55.9Low61.2Low187 Ų187132 Ų13287%0.87470%0.7SS**  trans-65.377.9159.4-65.7-78.3-16.900106.4R178 E182R178-Q180 PolarHBondContact O-N 3.37Å; Q180-E182 PolarHBondContact O-N 3.48Å
181S47.7Very low59.1Low101 Ų101132.8 Ų132.871%0.70672%0.718SS**  trans-81.995.1161.2580000105.8P179P179-S181 PolarHBondContact O-N 3.05Å
182E47.1Very low56.9Low156 Ų156135.5 Ų135.573%0.72973%0.73SS**  trans-50.8148.1162.4-74.8-179.1150.500109.6Q180 Q184Q180-E182 PolarHBondContact O-N 3.48Å; E182-Q184 VanDerWaalsContact C-N 3.27Å; E182-Q184 PolarHBondContact O-N 3.42Å
183P46.1Very low54.7Low124 Ų124137.5 Ų137.581%0.80574%0.741SS**  trans-68.790176.929.5-32.2000108.6T185P183-T185 PolarHBondContact O-N 3.48Å; P183-T185 VanDerWaalsContact O-N 3.1Å
184Q46.9Very low52.3Low172 Ų172137.7 Ų137.780%0.80476%0.762SS**  trans-69.7106.8161-72.3-171.416.300107.2E182 C186E182-Q184 VanDerWaalsContact C-N 3.27Å; E182-Q184 PolarHBondContact O-N 3.42Å; Q184-C186 PolarHBondContact O-N 3.14Å
185T36.2Very low50.1Low135 Ų135142.6 Ų142.683%0.82877%0.774SS**  trans-49.9103.4164450000109.7P183 G187P183-T185 PolarHBondContact O-N 3.48Å; P183-T185 VanDerWaalsContact O-N 3.1Å; T185-G187 PolarHBondContact O-N 3.07Å
186C36.1Very low48.4Very low122 Ų122139.8 Ų139.882%0.82478%0.776SS**  trans-69.9110162.6-63.60000107.3Q184 L188Q184-C186 PolarHBondContact O-N 3.14Å; C186-L188 PolarHBondContact O-N 3.25Å
187G34.9Very low46.4Very low73 Ų73138.4 Ų138.475%0.75378%0.776SS**  trans-55.6119173.100000110.4T185 A189T185-G187 PolarHBondContact O-N 3.07Å; G187-A189 PolarHBondContact O-N 3.26Å; G187-A189 VanDerWaalsContact O-N 3.12Å
188L37.3Very low44.4Very low177 Ų177137.5 Ų137.593%0.92778%0.78SS**  trans-6799.2163-76.9163000107.4C186C186-L188 PolarHBondContact O-N 3.25Å
189A43.9Very low43.1Very low92 Ų92134.4 Ų134.476%0.7678%0.777SS**  trans-90102.4163.600000108.3G187G187-A189 PolarHBondContact O-N 3.26Å; G187-A189 VanDerWaalsContact O-N 3.12Å
190D39.1Very low42.4Very low131 Ų131136.3 Ų136.370%0.70178%0.78SS**  trans20.398.9150.7-64.6-19.8000118.1
191V42.4Very low41.6Very low145 Ų145132.8 Ų132.888%0.87977%0.771SS**  trans-110.190.8144.9-177.60000106.9
192K45.9Very low41.8Very low176 Ų176133.6 Ų133.677%0.76577%0.773SS**  trans-66.3143.6168.4-71.5176.6-179.9173.30109.2
193S41.4Very low41.7Very low93 Ų93131.9 Ų131.965%0.6577%0.773SS**  trans8179.1164.1-165.40000116.7K195S193-K195 PolarHBondContact O-N 3.27Å
194A38.7Very low41.3Very low107 Ų107132.4 Ų132.488%0.88477%0.77SS**  trans-63.7116148.500000109.3
195K39.1Very low41.2Very low149 Ų149133.3 Ų133.365%0.64877%0.774SS**  trans-99.1114.7160.5-86.8178.2178.9174.30107.3S193 D218S193-K195 PolarHBondContact O-N 3.27Å; K195-D218 IonicContact NZ-OD1 3.44Å
196S51.3Low41.2Very low111 Ų111136.8 Ų136.878%0.77678%0.78SS**  trans-70.3131.5171.8470000110.3
197I40.9Very low41.5Very low153 Ų153134.6 Ų134.679%0.78577%0.771SS**  trans-96.6107.2171.3-62.2171.7000106.9I199I197-I199 HydrophobicContact CG2-CG1 4.04Å
198E36.5Very low41.6Very low166 Ų166137.6 Ų137.678%0.77678%0.775SS**  trans-86.8116.9166.6-73.5-173.3169.200109.1
199I35.8Very low41.8Very low144 Ų144134.3 Ų134.374%0.73877%0.766SS**  trans-93.1101.9173.1-57.7176.4000107.1I197 V201I197-I199 HydrophobicContact CG2-CG1 4.04Å; I199-V201 HydrophobicContact CG2-CG2 3.95Å
200I46.9Very low41.5Very low148 Ų148140.4 Ų140.476%0.75977%0.771SS**  trans-84.2112.5171.3-57.9171000107.5
201V39.9Very low41.6Very low113 Ų113139.2 Ų139.269%0.68577%0.773SS**PPolyproline II helixtrans-99.6117.2172.4-175.50000108.1I199 V203I199-V201 HydrophobicContact CG2-CG2 3.95Å; V201-V203 PolarHBondContact O-N 3.19Å
202P51.4Low41.2Very low118 Ų118138.7 Ų138.777%0.76677%0.77SS**PPolyproline II helixtrans-71128.1172.927.3-30.4000110.2
203V44.9Very low40.7Very low120 Ų120135.3 Ų135.373%0.72777%0.769SS**PPolyproline II helixtrans-79.9132.9171.5167.90000108.3V201V201-V203 PolarHBondContact O-N 3.19Å
204D38.6Very low40.3Very low136 Ų136136.3 Ų136.373%0.72777%0.77SS**  trans60.798.1164.5-54.1-21.4000118.3
205Q43.7Very low40.2Very low190 Ų190140.3 Ų140.389%0.88877%0.768SS**  -171.4130.9125-99.3162.24600109.3A207Q205-A207 PolarHBondContact O-N 3.23Å
206H37.5Very low40Very low208 Ų208138.9 Ų138.996%0.96377%0.766SS**  trans-64.797.3-179.5-65.3-83.7000110.8
207A41.4Very low39.5Very low76 Ų76140.3 Ų140.363%0.62877%0.765SS**  trans-147134165.300000110.7Q205Q205-A207 PolarHBondContact O-N 3.23Å
208T37.8Very low39.6Very low137 Ų137138.5 Ų138.584%0.8476%0.757SS**SBendtrans-57.6144.2178.231.60000113.7
209S40.2Very low39.9Very low107 Ų107138.7 Ų138.775%0.74876%0.763SS**  trans86.2104.9177.8830000115.2
210Y37.4Very low40.1Very low221 Ų221141.1 Ų141.187%0.86777%0.771SS**  trans-96106.4168.4-46.7-79.3000107
211S41Very low39.5Very low105 Ų105143 Ų14373%0.73478%0.777SS**  trans-96.7120.9161.352.80000107.1
212V34.5Very low39.3Very low134 Ų134142.8 Ų142.881%0.81278%0.781SS**  trans-90.8110.7172.9178.60000106.6V214V212-V214 HydrophobicContact CG1-CG2 4.31Å
213S36.5Very low38.3Very low106 Ų106145.8 Ų145.874%0.74178%0.782SS**  trans-100.2116.1172.826.70000108.9
214V33.2Very low37.7Very low113 Ų113146.6 Ų146.669%0.68579%0.791SS**  trans-96.6113.2171.2-176.70000107V212 I216V212-V214 HydrophobicContact CG1-CG2 4.31Å; V214-I216 HydrophobicContact CG1-CD1 4.34Å; V214-I216 HydrophobicContact CG1-CG1 3.8Å; V214-I216 PolarHBondContact O-N 3.11Å
215K35.8Very low37.5Very low191 Ų191150.2 Ų150.283%0.8380%0.795SS**  trans-85.9104.6169.7-71.1-178.3-179.9176.80108
216I34.7Very low37.1Very low120 Ų120150.6 Ų150.662%0.61579%0.793SS**  trans-98.2110.6164.8-53.6-178.8000106V214 D218V214-I216 HydrophobicContact CG1-CD1 4.34Å; V214-I216 HydrophobicContact CG1-CG1 3.8Å; V214-I216 PolarHBondContact O-N 3.11Å; I216-D218 WeakPolarHBondContact CG2-OD2 3.35Å; I216-D218 PolarHBondContact O-N 3.18Å
217N41.2Very low37.1Very low140 Ų140148.6 Ų148.675%0.74979%0.788SS**  trans-78.291.8170.6-73.9-4.6000108.2
218D43.6Very low36.9Very low116 Ų116153.1 Ų153.162%0.6280%0.796SS**  trans-124.3109.6162.4-65.9-35000107.6K195 I216 E220K195-D218 IonicContact NZ-OD1 3.44Å; I216-D218 WeakPolarHBondContact CG2-OD2 3.35Å; I216-D218 PolarHBondContact O-N 3.18Å; D218-E220 PolarHBondContact O-N 3.43Å
219N41.2Very low36.8Very low169 Ų169155.8 Ų155.890%0.90480%0.799SS**  trans-69.1103.2168.2-77.9-25.1000107.3
220E40.1Very low36.9Very low195 Ų195156.6 Ų156.691%0.91180%0.802SS**  trans-153.8126.9137.4-76.9-146.8162.300109D218D218-E220 PolarHBondContact O-N 3.43Å
221E34.6Very low37.1Very low187 Ų187151.4 Ų151.487%0.87480%0.798SS**  trans-52.7130.7177.9-166.2172.2-155.400111.5
222S35.6Very low36.8Very low110 Ų110153.4 Ų153.477%0.76980%0.8SS**  trans159.997.9135-720000114.1
223K31.8Very low37Very low181 Ų181155 Ų15579%0.78780%0.799SS**  trans6386136.3-152.8168.3-168.5167.80119
224C31.9Very low37.3Very low136 Ų136156.8 Ų156.892%0.91980%0.795SS**PPolyproline II helixtrans-77.6121.8156.7-63.90000110.7
225R33.7Very low37.3Very low213 Ų213160.1 Ų160.180%0.80480%0.803SS**PPolyproline II helixtrans-86.2129.5161.6-74-178.4174.4169.5-1.2108.6
226K35.9Very low37.5Very low198 Ų198154.7 Ų154.786%0.86180%0.801SS**PPolyproline II helixtrans-63130166.4-77.2175.9176178.10108.6
227I36.5Very low37.7Very low166 Ų166157.9 Ų157.985%0.85181%0.814SS**  trans-105.6110.1162.8-61.5175000105
228E37.3Very low37.3Very low171 Ų171158.5 Ų158.580%0.79982%0.816SS**PPolyproline II helixtrans-72.8137.4167.7-72174163.200108.7P230E228-P230 WeakPolarHBondContact O-CD 2.99Å
229E35.2Very low37.2Very low193 Ų193160.5 Ų160.590%0.90283%0.825SS**PPolyproline II helixtrans-66.1127.5169-72.6-178.7146.800109.5
230P43Very low37.5Very low123 Ų123157.9 Ų157.980%0.79982%0.816SS**PPolyproline II helixtrans-83.7121167.430.6-28.1000110.1E228E228-P230 WeakPolarHBondContact O-CD 2.99Å
231S42.6Very low38.5Very low113 Ų113153.9 Ų153.979%0.7981%0.806SS**PPolyproline II helixtrans-61.6148.1163.5490000112
232N33.5Very low39.7Very low147 Ų147151.1 Ų151.179%0.78680%0.804SS**PPolyproline II helixtrans-54.8162.1177.1-57.7-57.8000114.5
233H40.2Very low40.4Very low168 Ų168152.4 Ų152.478%0.77881%0.808SS**  trans126138.6167.5-73.1-68.5000108
234E41Very low41.3Very low143 Ų143151 Ų15167%0.66881%0.808SS**  cis-167154.8-13.6-121.3165-146.100103.6
235E34Very low41.9Very low183 Ų183149.9 Ų149.986%0.85580%0.8SS**  trans57.6121.5150.4-54.9-167.1-171.200120.7
236G40.7Very low42.4Very low76 Ų76147.5 Ų147.578%0.78480%0.803SS**  trans163.182167.600000117.2
237E37.7Very low43Very low188 Ų188147.7 Ų147.788%0.87980%0.804SS**  trans76.1125.1138.6-148.2162.4-170.500121.2
238L33.3Very low43.5Very low153 Ų153149.1 Ų149.180%0.80180%0.804SS**  trans-82.7115.9-175.4-177.180.9000110
239I42.5Very low43.5Very low157 Ų157148.5 Ų148.581%0.80581%0.805SS**  trans-130.3102.1166.3-55.5177.8000109.4
240T47.5Very low43.9Very low115 Ų115150.1 Ų150.171%0.70680%0.802SS**PPolyproline II helixtrans-81.2133.8170470000110.7
241P60.3Low43.6Very low111 Ų111152.6 Ų152.672%0.72180%0.803SS**PPolyproline II helixtrans-78.5155.8164.231.9-31.7000111.4
242P59.8Low43.2Very low128 Ų128153.4 Ų153.483%0.83180%0.802SS**PPolyproline II helixtrans-72.6145.7-165.329.7-34.9000113.6
243V49.5Very low43.5Very low138 Ų138154.5 Ų154.584%0.83680%0.803SS**PPolyproline II helixtrans-87.1118.1175174.80000109
244D52Low43.3Very low150 Ų150152.2 Ų152.280%0.80280%0.801SS**PPolyproline II helixtrans-67.6129.1170.2-83.6-36.7000111.2D246D244-D246 PolarHBondContact O-N 2.98Å
245P44.5Very low43.5Very low114 Ų114153 Ų15374%0.7481%0.808SS**  trans-92.374.4179.836.8-32.4000110.5
246D43Very low43.5Very low162 Ų162151.8 Ų151.887%0.86681%0.808SS**  trans-153.374.5167.8-97.9-29000112.2D244D244-D246 PolarHBondContact O-N 2.98Å
247K49.7Very low43.5Very low203 Ų203153 Ų15388%0.88381%0.811SS**  trans-108.693.8164.3-105.8-179.6179.6176.20109.8I249K247-I249 PolarHBondContact O-N 2.65Å
248K46.3Very low43.4Very low195 Ų195147.4 Ų147.485%0.84880%0.803SS**  trans-74.1104.9155.1-93.4175.2179.5167.10108.5
249I38.5Very low44.1Very low159 Ų159149.3 Ų149.382%0.81581%0.808SS**  trans-62126.8169.3-62164.9000108.2K247K247-I249 PolarHBondContact O-N 2.65Å
250R42.1Very low44.1Very low227 Ų227148.8 Ų148.886%0.85781%0.806SS**  trans-133.4133.2159-71.2-167-174.5-164.92.1110.4
251H37.4Very low44Very low175 Ų175149.2 Ų149.281%0.8181%0.809SS**  trans-24.9137.4-179.6-98.9-105.1000118.4
252V33.4Very low43.4Very low129 Ų129150.4 Ų150.478%0.78281%0.808SS**  trans-86.1119.9160.1176.30000107.6
253E40Very low42.3Very low170 Ų170151.2 Ų151.279%0.79481%0.805SS**  trans-103.2123.3162.5-74.4-177.2168.800108.5
254T35.6Very low41.9Very low120 Ų120150.4 Ų150.474%0.73681%0.806SS**  trans-79.7114.4175.4-48.10000108.6
255I45.9Very low41.5Very low160 Ų160150.2 Ų150.282%0.82180%0.804SS**  trans-99.2114.2168.432.5173.1000109.4
256N33.3Very low41.1Very low158 Ų158153.5 Ų153.585%0.84581%0.807SS**  trans-61.3132167.3-67.4-49.4000109.7
257A42Very low41.5Very low102 Ų102152.2 Ų152.284%0.84380%0.798SS**  trans-133.9104159.800000107.2
258G35.9Very low41Very low70 Ų70149.7 Ų149.772%0.72279%0.79SS**  trans-71.3150.3162.400000109.3
259E46.5Very low41.1Very low192 Ų192145.5 Ų145.590%0.89779%0.785SS**  -164145.9129.8-108.2169.4-167.900110.4
260N42.5Very low41.7Very low146 Ų146144.7 Ų144.778%0.78178%0.782SS**  trans-63161.3-171.9-59.1-69.3000112.4
261V45.9Very low42Very low124 Ų124142.3 Ų142.375%0.75279%0.786SS**  170.9106.9111.7159.60000111.4
262I47.4Very low42.6Very low136 Ų136141 Ų14170%0.69778%0.784SS**  61.8106.7127.2-48.6175.2000119.4
263N37.8Very low43Very low146 Ų146140.2 Ų140.278%0.78178%0.784SS**  trans43111.5131.3-51.7-21.2000119.7
264S41Very low44Very low121 Ų121139 Ų13985%0.84678%0.781SS**  -148.6130.7124.169.80000110.5
265L42.8Very low44.6Very low146 Ų146138.8 Ų138.876%0.76478%0.782SS**  trans-64.5129-171.4-75.588.4000112.3I267L265-I267 HydrophobicContact CB-CG1 4.13Å; L265-I267 HydrophobicContact CD2-CD1 3.79Å; L265-I267 HydrophobicContact CD2-CG1 3.87Å
266F36.4Very low45Very low183 Ų183134.1 Ų134.180%0.80377%0.773SS**  trans-90.588.3158.5-166.9-102000107.4Q268F266-Q268 HydrophobicContact CD1-CG 3.84Å; F266-Q268 HydrophobicContact CE1-CG 3.52Å; F266-Q268 PolarHBondContact O-N 3.44Å
267I51.2Low45.9Very low135 Ų135137 Ų13769%0.69277%0.774SS**  trans-85.9105.6168.8-64.6-170000107.9L265 S269L265-I267 HydrophobicContact CB-CG1 4.13Å; L265-I267 HydrophobicContact CD2-CD1 3.79Å; L265-I267 HydrophobicContact CD2-CG1 3.87Å; I267-S269 PolarHBondContact O-N 2.93Å
268Q40Very low46.1Very low149 Ų149137.7 Ų137.770%0.69677%0.771SS**  trans-69110.1157.9-68.9177.7-51.500108F266 N270F266-Q268 HydrophobicContact CD1-CG 3.84Å; F266-Q268 HydrophobicContact CE1-CG 3.52Å; F266-Q268 PolarHBondContact O-N 3.44Å; Q268-N270 PolarHBondContact O-N 2.81Å
269S48.6Very low47.1Very low108 Ų108144.5 Ų144.576%0.75578%0.777SS**  trans-75.1103.5165.155.10000108.5I267 L271I267-S269 PolarHBondContact O-N 2.93Å; S269-L271 PolarHBondContact O-N 2.83Å
270N50.9Low47.5Very low141 Ų141150 Ų15075%0.75479%0.791SS**  trans-51.8126.6164-85.9-33.2000110.4Q268 L272Q268-N270 PolarHBondContact O-N 2.81Å; N270-L272 PolarHBondContact O-N 2.66Å; N270-L272 VanDerWaalsContact O-N 3.11Å
271L47.1Very low47.7Very low178 Ų178150.2 Ų150.293%0.93279%0.792SS**  trans-64.799.7164.2-76.3156.2000108.4S269 S273S269-L271 PolarHBondContact O-N 2.83Å; L271-S273 PolarHBondContact O-N 3.3Å
272L50.2Low47.8Very low148 Ų148151.5 Ų151.578%0.77579%0.794SS**  trans-85.3106.5163.1-119.192.4000108.8N270 I274N270-L272 PolarHBondContact O-N 2.66Å; N270-L272 VanDerWaalsContact O-N 3.11Å; L272-I274 PolarHBondContact O-N 3.26Å
273S43Very low47.9Very low111 Ų111152.4 Ų152.478%0.77680%0.799SS**  trans-51.8119.9158.7171.10000110.4L271L271-S273 PolarHBondContact O-N 3.3Å
274I61.3Low48.5Very low144 Ų144152.8 Ų152.874%0.73880%0.8SS**  trans-119.8123.3165.1-60.6177.2000107.7L272L272-I274 PolarHBondContact O-N 3.26Å
275P48.2Very low48.9Very low117 Ų117154.8 Ų154.876%0.7680%0.797SS**  trans-86.1145.1171.935-29.4000109.5
276G53.5Low49.3Very low61 Ų61155.3 Ų155.363%0.62980%0.799SS**  trans168.7101.4167.800000117.7
277Y52.5Low50.3Low220 Ų220153.4 Ų153.486%0.86380%0.799SS**  trans73.8108141-69-85000121
278C46Very low50.2Low116 Ų116154.8 Ų154.878%0.78481%0.807SS**  trans-57.7143.3146.3-61.40000111.3
279Y56.4Low51.1Low213 Ų213155.3 Ų155.384%0.83582%0.817SS**  trans-170.2107.2139-95.3-71000110
280Y55.1Low51.3Low306 Ų306159.5 Ų159.5100%1.282%0.822SS**  trans157.20136.3-93.6-73000110

Retrieved 280 of 280 residues in 442.3 ms (Link to these results)