A0A087XW24_POEFO Loading...

PIN2 (TERF1) interacting telomerase inhibitor 1

AlphaFold DB , UniProt , Accession A0A087XW24, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 363 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
1M59.3Low70.9Confident244 Ų244166.9 Ų166.9100%1.20284%0.836SS**  0116.20-65.9154.275.500107.7
2S54.9Low71.7Confident111 Ų111169.9 Ų169.978%0.77684%0.84SS**  trans-84.9118.6177.647.20000109.8L4S2-L4 PolarHBondContact O-N 2.97Å
3M57.5Low72.4Confident185 Ų185171.3 Ų171.391%0.91183%0.83SS**  trans-67.8128.6178.2-66.8-173.417700110.9A5M3-A5 PolarHBondContact O-N 2.63Å
4L67.4Low73Confident174 Ų174164.4 Ų164.491%0.91181%0.808SS**  trans-75.960.9174.5-71.381.5000110.8S2 E6S2-L4 PolarHBondContact O-N 2.97Å; L4-E6 PolarHBondContact O-N 2.72Å
5A72.4Confident73.8Confident86 Ų86164.3 Ų164.371%0.71182%0.82SS**  trans-77.9109.717200000109.4M3M3-A5 PolarHBondContact O-N 2.63Å
6E75.3Confident74.5Confident152 Ų152157.1 Ų157.171%0.7179%0.785SS**  trans-57.4138.7177.8-167.4-175.2167.600110.9L4 R8L4-E6 PolarHBondContact O-N 2.72Å; E6-R8 PolarHBondContact O-N 3.28Å
7P77.3Confident75.1Confident104 Ų104152.8 Ų152.868%0.67577%0.771SS**  trans-56.4113.6179.5-27.635.8000112.7K9P7-K9 PolarHBondContact O-N 3.31Å
8R77.8Confident75.5Confident245 Ų245155.3 Ų155.393%0.92577%0.77SS**  trans-62.793.4-179.4-65.8-177.570.6172.64.1111.6E6 K10E6-R8 PolarHBondContact O-N 3.28Å; R8-K10 PolarHBondContact O-N 3.4Å
9K81Confident76Confident172 Ų172152.2 Ų152.275%0.74876%0.756SS**  trans-66.7120.7173-69.3169.3-175.9159.10109.7P7 Q11P7-K9 PolarHBondContact O-N 3.31Å; K9-Q11 PolarHBondContact O-N 2.85Å
10K77.9Confident76.6Confident207 Ų207146.4 Ų146.490%0.973%0.731SS**  trans-8196.4170.3-67.6-174.6179.3-176.70109.1R8 K12R8-K10 PolarHBondContact O-N 3.4Å; K10-K12 PolarHBondContact O-N 2.65Å
11Q79.3Confident77Confident156 Ų156143 Ų14373%0.72973%0.726SS**  trans-66.1125.3164.1-76.5175.5-47.800108.7K9K9-Q11 PolarHBondContact O-N 2.85Å
12K79.9Confident78.3Confident203 Ų203139.1 Ų139.188%0.88370%0.698SS**  trans-91.9106.8168.2-172.4163.468.4170.50107.7K10K10-K12 PolarHBondContact O-N 2.65Å
13W81.4Confident79.6Confident188 Ų188137.9 Ų137.971%0.71269%0.689SS**  trans-76.6142.5176.6-6542.8000107.9
14S81.1Confident81Confident74 Ų74133.7 Ų133.752%0.51767%0.671SS.*  trans-67.6155.916847.10000109.9D16 P17S14-D16 PolarHBondContact O-N 2.83Å; S14-D16 VanDerWaalsContact OG-C 3.31Å; S14-D16 PolarHBondContact OG-O 2.82Å; S14-P17 WeakPolarHBondContact OG-CA 3.28Å
15V83.8Confident82Confident164 Ų164128 Ų12899%0.99464%0.641SS**SBendtrans-57.1-34.6177.1178.40000110.9
16D86.3Confident82.7Confident48 Ų48127.1 Ų127.126%0.25763%0.625SS.*  trans-122.9109.4166.2-171-15.6000109.7S14 R18 N19 S20 A21S14-D16 PolarHBondContact O-N 2.83Å; S14-D16 VanDerWaalsContact OG-C 3.31Å; S14-D16 PolarHBondContact OG-O 2.82Å; D16-R18 PolarHBondContact OD1-N 3.38Å; D16-N19 VanDerWaalsContact CG-N 3.33Å; D16-N19 PolarHBondContact OD1-N 2.92Å; D16-N19 VanDerWaalsContact OD2-C 3.25Å; D16-N19 WeakPolarHBondContact OD2-CA 3.2Å; D16-S20 PolarHBondContact OD1-N 3.49Å; D16-S20 WeakPolarHBondContact OD2-CA 3.47Å; D16-S20 PolarHBondContact OD2-N 3.26Å; D16-A21 PolarHBondContact OD2-N 3.49Å
17P83.6Confident83.4Confident84 Ų84123.1 Ų123.155%0.54561%0.613SS.*SBendtrans-85.1-9.6176.533.1-34.7000113.6S14S14-P17 WeakPolarHBondContact OG-CA 3.28Å
18R82.6Confident84Confident199 Ų199120.1 Ų120.175%0.75159%0.59SS**SBendtrans-111-2.1179.3-67.5-165.7-68.8104.5-3.5113.6D16 S20D16-R18 PolarHBondContact OD1-N 3.38Å; R18-S20 PolarHBondContact O-N 3.02Å
19N85.8Confident84.8Confident96 Ų96116.3 Ų116.351%0.51358%0.58SS.*  trans54.231.1-173.9-15828.8000113.4D16 A21 W22 S23D16-N19 VanDerWaalsContact CG-N 3.33Å; D16-N19 PolarHBondContact OD1-N 2.92Å; D16-N19 VanDerWaalsContact OD2-C 3.25Å; D16-N19 WeakPolarHBondContact OD2-CA 3.2Å; N19-A21 VanDerWaalsContact C-N 3.3Å; N19-A21 PolarHBondContact O-N 2.99Å; N19-W22 PolarHBondContact O-N 2.64Å; N19-W22 VanDerWaalsContact O-N 3.16Å; N19-W22 WeakPolarHBondContact OD1-CB 3.41Å; N19-S23 PolarHBondContact O-N 2.58Å; N19-S23 VanDerWaalsContact O-N 3.11Å
20S87Confident85.3Confident36 Ų36109.8 Ų109.825%0.25256%0.562SS.*Hα-helixtrans-63.2-34.2179.7-159.10000112.1D16 R18 W22 S23 N24D16-S20 PolarHBondContact OD1-N 3.49Å; D16-S20 WeakPolarHBondContact OD2-CA 3.47Å; D16-S20 PolarHBondContact OD2-N 3.26Å; R18-S20 PolarHBondContact O-N 3.02Å; S20-W22 PolarHBondContact O-N 2.96Å; S20-S23 PolarHBondContact O-N 3.27Å; S20-S23 PolarHBondContact O-OG 3.25Å; S20-N24 PolarHBondContact O-N 3.18Å; S20-N24 PolarHBondContact O-ND2 3.18Å; S20-N24 PolarHBondContact OG-ND2 3.06Å
21A86.3Confident86Confident76 Ų76101.4 Ų101.463%0.62853%0.526SS*.Hα-helixtrans-65.2-29.4175.800000112.3D16 N19 D25D16-A21 PolarHBondContact OD2-N 3.49Å; N19-A21 VanDerWaalsContact C-N 3.3Å; N19-A21 PolarHBondContact O-N 2.99Å; A21-D25 WeakPolarHBondContact O-CB 3.23Å
22W84.7Confident86.7Confident162 Ų16299.5 Ų99.561%0.61452%0.515SS*.Hα-helixtrans-81.6-39.1174.4-171.6-87.7000112.3N19 S20 N24 K28N19-W22 PolarHBondContact O-N 2.64Å; N19-W22 VanDerWaalsContact O-N 3.16Å; N19-W22 WeakPolarHBondContact OD1-CB 3.41Å; S20-W22 PolarHBondContact O-N 2.96Å; W22-N24 VanDerWaalsContact C-N 3.34Å; W22-N24 PolarHBondContact O-N 2.76Å; W22-K28 HydrophobicContact CD2-CD 4.28Å; W22-K28 VanDerWaalsContact CD2-CE 3.43Å; W22-K28 VanDerWaalsContact CD2-NZ 3.31Å; W22-K28 VanDerWaalsContact CE2-CE 3.48Å; W22-K28 HydrophobicContact CH2-CD 4.35Å; W22-K28 HydrophobicContact CZ2-CD 3.87Å; W22-K28 WeakPolarHBondContact O-CE 3.31Å
23S83.9Confident87.5Confident84 Ų8494.3 Ų94.359%0.58750%0.495SS*.Hα-helixtrans-74.4-20-175.968.90000114.7N19 S20N19-S23 PolarHBondContact O-N 2.58Å; N19-S23 VanDerWaalsContact O-N 3.11Å; S20-S23 PolarHBondContact O-N 3.27Å; S20-S23 PolarHBondContact O-OG 3.25Å
24N86.3Confident88.1Confident98 Ų9888.6 Ų88.652%0.52448%0.478SS..THydrogen-bonded Turntrans-106.53-178.6-63.6-76.4000113.6S20 W22 D26S20-N24 PolarHBondContact O-N 3.18Å; S20-N24 PolarHBondContact O-ND2 3.18Å; S20-N24 PolarHBondContact OG-ND2 3.06Å; W22-N24 VanDerWaalsContact C-N 3.34Å; W22-N24 PolarHBondContact O-N 2.76Å; N24-D26 PolarHBondContact O-N 3.03Å
25D89.1Confident88.7Confident53 Ų5389 Ų8928%0.28347%0.472SS..  trans-85.899.2179.9166.525.3000110.7A21 S27 K28A21-D25 WeakPolarHBondContact O-CB 3.23Å; D25-S27 PolarHBondContact O-N 2.85Å; D25-S27 VanDerWaalsContact OD1-CB 3.28Å; D25-S27 WeakPolarHBondContact OD1-CB 3.28Å; D25-S27 PolarHBondContact OD1-N 3.46Å; D25-S27 PolarHBondContact OD1-OG 3.26Å; D25-K28 HydrophobicContact CB-CG 4.44Å; D25-K28 WeakPolarHBondContact O-CG 3.3Å; D25-K28 WeakPolarHBondContact OD2-CE 3.4Å; D25-K28 VanDerWaalsContact OD2-CG 3.29Å; D25-K28 WeakPolarHBondContact OD2-CG 3.4Å; D25-K28 IonicContact OD2-NZ 3.84Å; D25-K28 PolarHBondContact OD2-NZ 3.39Å
26D86.8Confident89.3Confident69 Ų6989.1 Ų89.137%0.36946%0.462SS..THydrogen-bonded Turntrans-70.7-9.7179.8-67.4-37.8000113.7N24 K28 Q31 K41N24-D26 PolarHBondContact O-N 3.03Å; D26-K28 VanDerWaalsContact C-N 3.31Å; D26-K28 PolarHBondContact O-N 3.13Å; D26-Q31 PolarHBondContact OD1-NE2 3.32Å; D26-Q31 PolarHBondContact OD1-OE1 3.32Å; D26-K41 WeakPolarHBondContact OD1-CD 3.27Å; D26-K41 WeakPolarHBondContact OD1-CE 3.46Å; D26-K41 IonicContact OD1-NZ 2.72Å; D26-K41 PolarHBondContact OD1-NZ 2.98Å; D26-K41 IonicContact OD2-NZ 2.87Å; D26-K41 PolarHBondContact OD2-NZ 3.4Å
27S88.8Confident89.7Confident68 Ų6894.4 Ų94.448%0.47649%0.486SS..THydrogen-bonded Turntrans-82.7-6.2-173.878.40000114.4D25 K32D25-S27 PolarHBondContact O-N 2.85Å; D25-S27 VanDerWaalsContact OD1-CB 3.28Å; D25-S27 WeakPolarHBondContact OD1-CB 3.28Å; D25-S27 PolarHBondContact OD1-N 3.46Å; D25-S27 PolarHBondContact OD1-OG 3.26Å; S27-K32 WeakPolarHBondContact O-CE 3.29Å; S27-K32 PolarHBondContact O-NZ 3.24Å
28K90.9Very high90.2Very high40 Ų4093.5 Ų93.517%0.17449%0.492CS..  trans-66.5146.3-171.1-65.4-173-163.3-55.20113.5W22 D25 D26 G30 Q31 K32W22-K28 HydrophobicContact CD2-CD 4.28Å; W22-K28 VanDerWaalsContact CD2-CE 3.43Å; W22-K28 VanDerWaalsContact CD2-NZ 3.31Å; W22-K28 VanDerWaalsContact CE2-CE 3.48Å; W22-K28 HydrophobicContact CH2-CD 4.35Å; W22-K28 HydrophobicContact CZ2-CD 3.87Å; W22-K28 WeakPolarHBondContact O-CE 3.31Å; D25-K28 HydrophobicContact CB-CG 4.44Å; D25-K28 WeakPolarHBondContact O-CG 3.3Å; D25-K28 WeakPolarHBondContact OD2-CE 3.4Å; D25-K28 VanDerWaalsContact OD2-CG 3.29Å; D25-K28 WeakPolarHBondContact OD2-CG 3.4Å; D25-K28 IonicContact OD2-NZ 3.84Å; D25-K28 PolarHBondContact OD2-NZ 3.39Å; D26-K28 VanDerWaalsContact C-N 3.31Å; D26-K28 PolarHBondContact O-N 3.13Å; K28-G30 PolarHBondContact O-N 3.04Å; K28-Q31 PolarHBondContact O-N 3.25Å; K28-Q31 VanDerWaalsContact O-N 3.13Å; K28-K32 PolarHBondContact O-N 3.35Å
29F93.6Very high90.7Very high165 Ų16587.1 Ų87.172%0.72447%0.468SS*.Hα-helixtrans-50-49.9175.8174.3-99.9000113.4Q31 K32 M33F29-Q31 VanDerWaalsContact C-N 3.3Å; F29-Q31 PolarHBondContact O-N 2.96Å; F29-K32 PolarHBondContact O-N 3.03Å; F29-M33 HydrophobicContact CE1-SD 4.2Å; F29-M33 HydrophobicContact CZ-SD 4.22Å; F29-M33 WeakPolarHBondContact O-CB 3.46Å; F29-M33 PolarHBondContact O-N 2.73Å
30G92.9Very high91Very high35 Ų3585 Ų8536%0.36146%0.462SS..Hα-helixtrans-64.2-32.9-178.500000113.7K28 L34K28-G30 PolarHBondContact O-N 3.04Å; G30-L34 WeakPolarHBondContact O-CG 3.3Å; G30-L34 PolarHBondContact O-N 3.14Å; G30-L34 VanDerWaalsContact O-N 3.14Å
31Q92.4Very high91.2Very high32 Ų3289 Ų8915%0.1547%0.474CS..Hα-helixtrans-73.1-49.4176.4175.5159.6-15.100111.3D26 K28 F29 M33 L34 E35 W39D26-Q31 PolarHBondContact OD1-NE2 3.32Å; D26-Q31 PolarHBondContact OD1-OE1 3.32Å; K28-Q31 PolarHBondContact O-N 3.25Å; K28-Q31 VanDerWaalsContact O-N 3.13Å; F29-Q31 VanDerWaalsContact C-N 3.3Å; F29-Q31 PolarHBondContact O-N 2.96Å; Q31-M33 PolarHBondContact O-N 3.06Å; Q31-L34 WeakPolarHBondContact O-CB 3.2Å; Q31-L34 PolarHBondContact O-N 3.35Å; Q31-E35 HydrophobicContact CG-CG 4.29Å; Q31-E35 VanDerWaalsContact CG-OE1 3.23Å; Q31-E35 WeakPolarHBondContact CG-OE1 3.39Å; Q31-E35 PolarHBondContact NE2-OE1 3.09Å; Q31-E35 WeakPolarHBondContact O-CG 3.46Å; Q31-E35 PolarHBondContact O-N 2.84Å; Q31-W39 HydrophobicContact CG-CZ3 4.34Å
32K94.3Very high91.4Very high116 Ų11688.3 Ų88.350%0.50448%0.475SS..Hα-helixtrans-55.1-39.8174.7-73.5172.2172.61600112.4S27 K28 F29 E35 Q36S27-K32 WeakPolarHBondContact O-CE 3.29Å; S27-K32 PolarHBondContact O-NZ 3.24Å; K28-K32 PolarHBondContact O-N 3.35Å; F29-K32 PolarHBondContact O-N 3.03Å; K32-E35 PolarHBondContact O-N 3.16Å; K32-Q36 VanDerWaalsContact O-CB 3.3Å; K32-Q36 WeakPolarHBondContact O-CB 3.39Å; K32-Q36 PolarHBondContact O-N 3.33Å
33M95.3Very high91.8Very high94 Ų9484.7 Ų84.746%0.46346%0.463SS..Hα-helixtrans-66.7-39.9176.3-173.1178.971.100112.5F29 Q31 M37F29-M33 HydrophobicContact CE1-SD 4.2Å; F29-M33 HydrophobicContact CZ-SD 4.22Å; F29-M33 WeakPolarHBondContact O-CB 3.46Å; F29-M33 PolarHBondContact O-N 2.73Å; Q31-M33 PolarHBondContact O-N 3.06Å; M33-M37 VanDerWaalsContact O-CG 3.27Å; M33-M37 WeakPolarHBondContact O-CG 3.38Å; M33-M37 PolarHBondContact O-N 2.79Å
34L94.4Very high92.3Very high68 Ų6881.1 Ų81.136%0.35644%0.44SS..Hα-helixtrans-66.6-44.2174.4-79.2167.2000111.7G30 Q31 Q36 M37 G38 W39 L45G30-L34 WeakPolarHBondContact O-CG 3.3Å; G30-L34 PolarHBondContact O-N 3.14Å; G30-L34 VanDerWaalsContact O-N 3.14Å; Q31-L34 WeakPolarHBondContact O-CB 3.2Å; Q31-L34 PolarHBondContact O-N 3.35Å; L34-Q36 PolarHBondContact O-N 3.4Å; L34-M37 CarbonylContact O-C 3.5Å; L34-M37 WeakPolarHBondContact O-CA 3.49Å; L34-M37 PolarHBondContact O-N 3.44Å; L34-G38 PolarHBondContact O-N 2.82Å; L34-W39 HydrophobicContact CB-CB 4.08Å; L34-W39 HydrophobicContact CB-CD2 4.19Å; L34-W39 HydrophobicContact CB-CE3 3.75Å; L34-W39 HydrophobicContact CB-CG 4.38Å; L34-W39 HydrophobicContact CD1-CE3 4.39Å; L34-W39 WeakPolarHBondContact O-CB 3.41Å; L34-W39 PolarHBondContact O-N 2.89Å; L34-L45 HydrophobicContact CD2-CD2 4.31Å
35E94.3Very high92.6Very high81 Ų8181.4 Ų81.438%0.37944%0.441SS..Hα-helixtrans-61.8-41.9177.3-71.3171.2-179.800111.7Q31 K32 M37 G38 W39Q31-E35 HydrophobicContact CG-CG 4.29Å; Q31-E35 VanDerWaalsContact CG-OE1 3.23Å; Q31-E35 WeakPolarHBondContact CG-OE1 3.39Å; Q31-E35 PolarHBondContact NE2-OE1 3.09Å; Q31-E35 WeakPolarHBondContact O-CG 3.46Å; Q31-E35 PolarHBondContact O-N 2.84Å; K32-E35 PolarHBondContact O-N 3.16Å; E35-M37 PolarHBondContact O-N 3.11Å; E35-G38 PolarHBondContact O-N 3.16Å; E35-W39 WeakPolarHBondContact CA-O 3.33Å; E35-W39 HydrophobicContact CG-CE3 4.3Å
36Q95.6Very high92.8Very high168 Ų16881.1 Ų81.179%0.78545%0.451SS*.Hα-helixtrans-62.9-25.7173.4-173.4176.7-1000113.2K32 L34 G38K32-Q36 VanDerWaalsContact O-CB 3.3Å; K32-Q36 WeakPolarHBondContact O-CB 3.39Å; K32-Q36 PolarHBondContact O-N 3.33Å; L34-Q36 PolarHBondContact O-N 3.4Å; Q36-G38 VanDerWaalsContact C-N 3.31Å
37M94.4Very high93.2Very high158 Ų15889.7 Ų89.778%0.77848%0.478SS*.THydrogen-bonded Turntrans-88.58.6174.3-65.8-70.617700113.2M33 L34 E35M33-M37 VanDerWaalsContact O-CG 3.27Å; M33-M37 WeakPolarHBondContact O-CG 3.38Å; M33-M37 PolarHBondContact O-N 2.79Å; L34-M37 CarbonylContact O-C 3.5Å; L34-M37 WeakPolarHBondContact O-CA 3.49Å; L34-M37 PolarHBondContact O-N 3.44Å; E35-M37 PolarHBondContact O-N 3.11Å
38G93.9Very high93.4Very high65 Ų6591 Ų9167%0.6749%0.487SS*.THydrogen-bonded Turntrans87.66.2176.100000115.4L34 E35 Q36L34-G38 PolarHBondContact O-N 2.82Å; E35-G38 PolarHBondContact O-N 3.16Å; Q36-G38 VanDerWaalsContact C-N 3.31Å
39W94.9Very high93.5Very high65 Ų6593.7 Ų93.725%0.24650%0.5CS..  trans-71.1155.4165.9-178.474.2000110.2Q31 L34 E35 K43 L45Q31-W39 HydrophobicContact CG-CZ3 4.34Å; L34-W39 HydrophobicContact CB-CB 4.08Å; L34-W39 HydrophobicContact CB-CD2 4.19Å; L34-W39 HydrophobicContact CB-CE3 3.75Å; L34-W39 HydrophobicContact CB-CG 4.38Å; L34-W39 HydrophobicContact CD1-CE3 4.39Å; L34-W39 WeakPolarHBondContact O-CB 3.41Å; L34-W39 PolarHBondContact O-N 2.89Å; E35-W39 WeakPolarHBondContact CA-O 3.33Å; E35-W39 HydrophobicContact CG-CE3 4.3Å; W39-K43 PolarHBondContact NE1-O 2.84Å; W39-L45 HydrophobicContact CG-CD2 4.2Å
40S92Very high93.6Very high53 Ų5392.3 Ų92.337%0.37150%0.496SS..  trans-141.7149.9170.444.40000111.6G42 K43S40-G42 PolarHBondContact O-N 3.47Å; S40-K43 WeakPolarHBondContact O-CB 3.47Å; S40-K43 PolarHBondContact O-N 2.73Å; S40-K43 VanDerWaalsContact OG-CD 3.3Å; S40-K43 WeakPolarHBondContact OG-CD 3.32Å
41K90.4Very high93.7Very high119 Ų11992 Ų9252%0.51749%0.494SS..THydrogen-bonded Turntrans-53.8123.7-173.8-177.5168.3177.4165.20111.6D26D26-K41 WeakPolarHBondContact OD1-CD 3.27Å; D26-K41 WeakPolarHBondContact OD1-CE 3.46Å; D26-K41 IonicContact OD1-NZ 2.72Å; D26-K41 PolarHBondContact OD1-NZ 2.98Å; D26-K41 IonicContact OD2-NZ 2.87Å; D26-K41 PolarHBondContact OD2-NZ 3.4Å
42G90Very high93.8Very high62 Ų6295.1 Ų95.164%0.63952%0.519SS*.THydrogen-bonded Turntrans95.2-8.9-17900000115.1S40 T53S40-G42 PolarHBondContact O-N 3.47Å; G42-T53 VanDerWaalsContact O-CG2 3.28Å; G42-T53 WeakPolarHBondContact O-CG2 3.13Å
43K93.3Very high93.7Very high85 Ų8594.3 Ų94.337%0.3752%0.523SS..PPolyproline II helixtrans-87.2147.1174.3-65.1-168163.7-144.80112.7W39 S40 E49W39-K43 PolarHBondContact NE1-O 2.84Å; S40-K43 WeakPolarHBondContact O-CB 3.47Å; S40-K43 PolarHBondContact O-N 2.73Å; S40-K43 VanDerWaalsContact OG-CD 3.3Å; S40-K43 WeakPolarHBondContact OG-CD 3.32Å; K43-E49 HydrophobicContact CD-CG 4.44Å; K43-E49 WeakPolarHBondContact CD-OE2 3.4Å; K43-E49 VanDerWaalsContact CE-OE2 3.31Å; K43-E49 WeakPolarHBondContact CE-OE2 3.47Å; K43-E49 IonicContact NZ-OE1 2.63Å; K43-E49 PolarHBondContact NZ-OE1 3.24Å; K43-E49 IonicContact NZ-OE2 2.97Å; K43-E49 PolarHBondContact NZ-OE2 2.79Å
44G94.3Very high93.5Very high10 Ų1094.2 Ų94.210%0.10353%0.525CS..PPolyproline II helixtrans-70.4157.7168.200000112.2E49 G51G44-E49 WeakPolarHBondContact CA-O 2.9Å; G44-E49 WeakPolarHBondContact O-CA 3.41Å; G44-G51 WeakPolarHBondContact CA-O 3.35Å
45L93.1Very high93.2Very high103 Ų10397.6 Ų97.654%0.53954%0.539SS..SBendtrans-83.1152.3173.6-69.9171.2000111.4L34 W39 G51L34-L45 HydrophobicContact CD2-CD2 4.31Å; W39-L45 HydrophobicContact CG-CD2 4.2Å; L45-G51 WeakPolarHBondContact O-CA 3.15Å; L45-G51 PolarHBondContact O-N 3.22Å
46G93.8Very high93.2Very high48 Ų48101 Ų10150%0.49556%0.558SS.*SBendtrans112.9169176.300000113.8S48 E49G46-S48 PolarHBondContact O-N 3.38Å; G46-S48 VanDerWaalsContact O-N 3.16Å; G46-E49 PolarHBondContact O-N 3.3Å
47R93.9Very high93Very high249 Ų24999.9 Ų99.994%0.9455%0.55SS**THydrogen-bonded Turntrans-55.3-34-172.2-178.3177.2178.91780.6114.3
48S93.9Very high92.9Very high96 Ų9698.2 Ų98.267%0.67155%0.549SS*.THydrogen-bonded Turntrans-119.627.4179.1-52.70000111.1G46 Q50G46-S48 PolarHBondContact O-N 3.38Å; G46-S48 VanDerWaalsContact O-N 3.16Å; S48-Q50 PolarHBondContact O-N 2.92Å; S48-Q50 VanDerWaalsContact O-N 3.09Å
49E93.6Very high92.6Very high95 Ų95104.8 Ų104.844%0.44456%0.559SS.*SBendtrans59.522.5178-55.6172.1-168.100113.7K43 G44 G46 G51K43-E49 HydrophobicContact CD-CG 4.44Å; K43-E49 WeakPolarHBondContact CD-OE2 3.4Å; K43-E49 VanDerWaalsContact CE-OE2 3.31Å; K43-E49 WeakPolarHBondContact CE-OE2 3.47Å; K43-E49 IonicContact NZ-OE1 2.63Å; K43-E49 PolarHBondContact NZ-OE1 3.24Å; K43-E49 IonicContact NZ-OE2 2.97Å; K43-E49 PolarHBondContact NZ-OE2 2.79Å; G44-E49 WeakPolarHBondContact CA-O 2.9Å; G44-E49 WeakPolarHBondContact O-CA 3.41Å; G46-E49 PolarHBondContact O-N 3.3Å; E49-G51 VanDerWaalsContact C-N 3.33Å; E49-G51 PolarHBondContact O-N 3.02Å
50Q94.9Very high92.4Very high136 Ų136106.7 Ų106.764%0.63658%0.578SS**  trans-78.8-6.7-167.775.7-75.6-12.200115.7S48S48-Q50 PolarHBondContact O-N 2.92Å; S48-Q50 VanDerWaalsContact O-N 3.09Å
51G95.2Very high92.2Very high30 Ų30109 Ų10931%0.30958%0.581SS.*SBendtrans-73152.5177.700000112.7G44 L45 E49 T53G44-G51 WeakPolarHBondContact CA-O 3.35Å; L45-G51 WeakPolarHBondContact O-CA 3.15Å; L45-G51 PolarHBondContact O-N 3.22Å; E49-G51 VanDerWaalsContact C-N 3.33Å; E49-G51 PolarHBondContact O-N 3.02Å; G51-T53 PolarHBondContact O-N 3.22Å
52S93.7Very high92.2Very high97 Ų97110.4 Ų110.468%0.67859%0.594SS**  trans-64136.2175.660.50000111.5D54S52-D54 VanDerWaalsContact C-N 3.34Å; S52-D54 PolarHBondContact OG-O 3.38Å
53T92.4Very high92Very high98 Ų98111 Ų11160%0.60158%0.583SS**SBendtrans-69.9-34.617251.30000111.8G42 G51G42-T53 VanDerWaalsContact O-CG2 3.28Å; G42-T53 WeakPolarHBondContact O-CG2 3.13Å; G51-T53 PolarHBondContact O-N 3.22Å
54D90.6Very high91.7Very high92 Ų92117.2 Ų117.249%0.49261%0.609SS.*SBendtrans-88.8150.4178-92.222.2000112.3S52 K57S52-D54 VanDerWaalsContact C-N 3.34Å; S52-D54 PolarHBondContact OG-O 3.38Å; D54-K57 IonicContact OD2-NZ 2.65Å; D54-K57 PolarHBondContact OD2-NZ 2.84Å
55H89.8Confident91.2Very high140 Ų140122 Ų12265%0.64863%0.629SS**PPolyproline II helixtrans-76.4154.2169.461.3-89.8000111.8K57H55-K57 PolarHBondContact O-N 3.37Å
56I93.1Very high90.9Very high153 Ų153119.3 Ų119.379%0.78563%0.626SS**PPolyproline II helixtrans-66.4121.6175.4-58.2173.9000109.7
57K91.8Very high90.5Very high144 Ų144124.6 Ų124.663%0.62664%0.642SS**  trans-92112.3-179.1-68.9163.7-169.3156.70110.2D54 H55D54-K57 IonicContact OD2-NZ 2.65Å; D54-K57 PolarHBondContact OD2-NZ 2.84Å; H55-K57 PolarHBondContact O-N 3.37Å
58V91.4Very high89.9Confident123 Ų123115.9 Ų115.975%0.74563%0.63SS**  trans-89121.9178.3-178.10000110.6V60V58-V60 PolarHBondContact O-N 3.39Å
59K89Confident89.2Confident203 Ų203113.5 Ų113.588%0.88362%0.616SS**  trans-84.1103.4172.3-173.2175.7-177.7176.80109.9K61K59-K61 PolarHBondContact O-N 3.36Å
60V89.3Confident88.2Confident105 Ų105113.2 Ų113.264%0.63662%0.618SS**  trans-66133.3176.1-175.90000110.1V58 N62V58-V60 PolarHBondContact O-N 3.39Å; V60-N62 WeakPolarHBondContact CG1-OD1 3.37Å; V60-N62 PolarHBondContact O-N 2.73Å; V60-N62 PolarHBondContact O-OD1 3.28Å
61K89.1Confident86.9Confident100 Ų100110.8 Ų110.844%0.43562%0.621SS.*  trans-92.698178.1-174.2-175.3173.7-173.40110.1K59 N63 H65 L67K59-K61 PolarHBondContact O-N 3.36Å; K61-N63 WeakPolarHBondContact CE-OD1 3.1Å; K61-N63 WeakPolarHBondContact CG-OD1 3.36Å; K61-H65 WeakPolarHBondContact CE-O 3.33Å; K61-H65 PolarHBondContact NZ-O 3.39Å; K61-L67 HydrophobicContact CD-CD2 4.15Å
62N89.3Confident85.5Confident150 Ų150113.9 Ų113.980%0.80264%0.638SS**  trans-90.72.9178.2-64.577.7000114V60V60-N62 WeakPolarHBondContact CG1-OD1 3.37Å; V60-N62 PolarHBondContact O-N 2.73Å; V60-N62 PolarHBondContact O-OD1 3.28Å
63N85.9Confident84.2Confident74 Ų74114.2 Ų114.240%0.39663%0.629SS.*SBendtrans-104.7156.6-178.170.70.2000112.6K61K61-N63 WeakPolarHBondContact CE-OD1 3.1Å; K61-N63 WeakPolarHBondContact CG-OD1 3.36Å
64K87.8Confident82.9Confident215 Ų215114.6 Ų114.694%0.93562%0.624SS**SBendtrans-89.1-2.8179.2-65-176.1-68.5178.70113.9
65H84.3Confident81.9Confident110 Ų110112.3 Ų112.351%0.50961%0.611SS.*SBendtrans-71.4169.7-179.5-56.6117.5000112.1K61 A69K61-H65 WeakPolarHBondContact CE-O 3.33Å; K61-H65 PolarHBondContact NZ-O 3.39Å; H65-A69 HydrophobicContact CB-CB 3.78Å
66G85.8Confident81.2Confident47 Ų47109.7 Ų109.749%0.48560%0.602SS.*PPolyproline II helixtrans-60.4168.4174.400000113.8A69G66-A69 WeakPolarHBondContact O-CB 3.37Å
67L85.4Confident80.4Confident159 Ų159111.9 Ų111.983%0.83260%0.601SS**THydrogen-bonded Turntrans-70139.9161.2-68.3168.4000108.1K61 A69K61-L67 HydrophobicContact CD-CD2 4.15Å; L67-A69 PolarHBondContact O-N 3.43Å
68G81.6Confident79.7Confident66 Ų66106.3 Ų106.368%0.6858%0.577SS**THydrogen-bonded Turntrans74.9-4.9-173.300000115.6N70G68-N70 PolarHBondContact O-N 2.98Å; G68-N70 VanDerWaalsContact O-N 3.12Å; G68-N70 PolarHBondContact O-OD1 3.18Å
69A79.4Confident79Confident47 Ų47102 Ų10239%0.38856%0.555SS.*  trans-76.699.4175.300000110.9H65 G66 L67H65-A69 HydrophobicContact CB-CB 3.78Å; G66-A69 WeakPolarHBondContact O-CB 3.37Å; L67-A69 PolarHBondContact O-N 3.43Å
70N73.4Confident78.8Confident88 Ų8898.8 Ų98.847%0.47154%0.543SS..  trans-87.3131178.2-52.4-39.4000109.4G68 S72 H73G68-N70 PolarHBondContact O-N 2.98Å; G68-N70 VanDerWaalsContact O-N 3.12Å; G68-N70 PolarHBondContact O-OD1 3.18Å; N70-S72 PolarHBondContact O-N 2.99Å; N70-S72 VanDerWaalsContact O-N 3.1Å; N70-H73 HydrophobicContact CB-CB 4.45Å; N70-H73 PolarHBondContact ND2-CE1 2.87Å; N70-H73 VanDerWaalsContact ND2-CE1 3.3Å; N70-H73 PolarHBondContact ND2-NE2 3.06Å; N70-H73 PolarHBondContact O-N 3.31Å
71A65.8Low78.7Confident86 Ų8698.7 Ų98.771%0.71154%0.535SS*.G310 helixtrans-58.3-27.2176.500000112.8H73A71-H73 VanDerWaalsContact C-N 3.28Å; A71-H73 PolarHBondContact O-N 3.4Å
72S66.5Low78.5Confident95 Ų9597.4 Ų97.466%0.66453%0.533SS*.G310 helixtrans-72.2-12.5176.5-176.20000114.3N70N70-S72 PolarHBondContact O-N 2.99Å; N70-S72 VanDerWaalsContact O-N 3.1Å
73H65.8Low78.5Confident104 Ų10495.6 Ų95.648%0.48152%0.52SS..G310 helixtrans-84.4-5-178.2-75.312.4000114.6N70 A71 D75 N76N70-H73 HydrophobicContact CB-CB 4.45Å; N70-H73 PolarHBondContact ND2-CE1 2.87Å; N70-H73 VanDerWaalsContact ND2-CE1 3.3Å; N70-H73 PolarHBondContact ND2-NE2 3.06Å; N70-H73 PolarHBondContact O-N 3.31Å; A71-H73 VanDerWaalsContact C-N 3.28Å; A71-H73 PolarHBondContact O-N 3.4Å; H73-D75 VanDerWaalsContact C-N 3.27Å; H73-D75 PolarHBondContact O-N 2.97Å; H73-N76 PolarHBondContact O-N 3.36Å
74E66.3Low78.9Confident105 Ų10597.1 Ų97.149%0.49152%0.523SS..G310 helixtrans-69.1-23.2177.4-59.6-175.9-169.800113.4W77 R150E74-W77 VanDerWaalsContact O-CD1 3.26Å; E74-R150 VanDerWaalsContact CB-NH1 3.34Å; E74-R150 PolarHBondContact O-NH2 2.69Å; E74-R150 IonicContact OE2-CZ 3.95Å; E74-R150 IonicContact OE2-NH1 2.86Å; E74-R150 PolarHBondContact OE2-NH1 3.25Å
75D68.7Low79Confident44 Ų4490.2 Ų90.224%0.23550%0.497CS..G310 helixtrans-80.7-18.1179.9-80.2-10.5000113.1H73 W77 I78 A79 R150 K152H73-D75 VanDerWaalsContact C-N 3.27Å; H73-D75 PolarHBondContact O-N 2.97Å; D75-W77 PolarHBondContact O-N 2.95Å; D75-W77 VanDerWaalsContact O-N 3.09Å; D75-I78 PolarHBondContact O-N 3Å; D75-A79 PolarHBondContact O-N 3.37Å; D75-A79 VanDerWaalsContact O-N 3.1Å; D75-R150 IonicContact OD1-CZ 2.92Å; D75-R150 IonicContact OD1-NE 2.84Å; D75-R150 PolarHBondContact OD1-NE 3.49Å; D75-R150 IonicContact OD1-NH2 3.81Å; D75-R150 PolarHBondContact OD1-NH2 3.26Å; D75-K152 WeakPolarHBondContact OD2-CE 2.93Å; D75-K152 IonicContact OD2-NZ 2.73Å
76N75.3Confident79.4Confident86 Ų8690.5 Ų90.546%0.4650%0.498SS..Hα-helixtrans-62.1-23.5-172.7-67-9.2000113.8H73H73-N76 PolarHBondContact O-N 3.36Å
77W76Confident79.9Confident199 Ų19993.1 Ų93.175%0.75450%0.5SS*.Hα-helixtrans-78.6-21.2177.189.6-89.2000113.4E74 D75E74-W77 VanDerWaalsContact O-CD1 3.26Å; D75-W77 PolarHBondContact O-N 2.95Å; D75-W77 VanDerWaalsContact O-N 3.09Å
78I76.9Confident80.2Confident26 Ų2688.9 Ų88.913%0.13348%0.478CS..Hα-helixtrans-93.9-28.2177.5-52.6-178.8000110.6D75 H80 Q81 D82 G148D75-I78 PolarHBondContact O-N 3Å; I78-H80 VanDerWaalsContact C-N 3.33Å; I78-H80 PolarHBondContact O-N 2.92Å; I78-Q81 WeakPolarHBondContact O-CA 3.5Å; I78-Q81 WeakPolarHBondContact O-CB 3.36Å; I78-Q81 PolarHBondContact O-N 2.82Å; I78-D82 PolarHBondContact O-N 2.93Å; I78-G148 WeakPolarHBondContact CD1-O 2.96Å
79A78.7Confident80.7Confident33 Ų3387.9 Ų87.927%0.27346%0.464SS..Hα-helixtrans-45.5-51-177.600000113.6D75 Q81 D82 E83D75-A79 PolarHBondContact O-N 3.37Å; D75-A79 VanDerWaalsContact O-N 3.1Å; A79-Q81 VanDerWaalsContact C-N 3.3Å; A79-Q81 PolarHBondContact O-N 2.97Å; A79-D82 PolarHBondContact O-N 2.94Å; A79-E83 WeakPolarHBondContact O-CB 3.1Å; A79-E83 VanDerWaalsContact O-CG 3.27Å; A79-E83 WeakPolarHBondContact O-CG 3.4Å; A79-E83 PolarHBondContact O-N 2.84Å
80H84.3Confident81.4Confident135 Ų13590.5 Ų90.563%0.62547%0.468SS*.Hα-helixtrans-66.3-27.7179.6-60.8-41.5000114.5I78 E83 F84I78-H80 VanDerWaalsContact C-N 3.33Å; I78-H80 PolarHBondContact O-N 2.92Å; H80-E83 WeakPolarHBondContact CA-OE2 3.33Å; H80-E83 IonicContact CE1-OE2 2.87Å; H80-E83 IonicContact CG-OE2 2.69Å; H80-E83 IonicContact ND1-OE2 3.97Å; H80-E83 PolarHBondContact ND1-OE2 3.5Å; H80-F84 WeakPolarHBondContact O-CB 3.08Å; H80-F84 PolarHBondContact O-N 2.84Å; H80-F84 VanDerWaalsContact O-N 3.11Å
81Q86.5Confident82.3Confident103 Ų10390.6 Ų90.648%0.48147%0.468SS..Hα-helixtrans-74.7-39.7173.8-17661.662.400110.8I78 A79 F84 N85I78-Q81 WeakPolarHBondContact O-CA 3.5Å; I78-Q81 WeakPolarHBondContact O-CB 3.36Å; I78-Q81 PolarHBondContact O-N 2.82Å; A79-Q81 VanDerWaalsContact C-N 3.3Å; A79-Q81 PolarHBondContact O-N 2.97Å; Q81-F84 PolarHBondContact O-N 3.41Å; Q81-N85 PolarHBondContact NE2-OD1 3.4Å; Q81-N85 WeakPolarHBondContact O-CB 3.48Å; Q81-N85 PolarHBondContact O-N 3.11Å; Q81-N85 PolarHBondContact O-ND2 2.83Å; Q81-N85 PolarHBondContact O-OD1 2.91Å
82D85.3Confident83.6Confident73 Ų7391.8 Ų91.839%0.3946%0.463SS..Hα-helixtrans-68.4-41.9175.6-75.6-23.3000111.7I78 A79 F84 N85 E86I78-D82 PolarHBondContact O-N 2.93Å; A79-D82 PolarHBondContact O-N 2.94Å; D82-F84 VanDerWaalsContact C-N 3.32Å; D82-F84 PolarHBondContact O-N 2.8Å; D82-N85 WeakPolarHBondContact O-CB 3.43Å; D82-N85 PolarHBondContact O-N 2.76Å; D82-E86 WeakPolarHBondContact O-CB 3.46Å; D82-E86 PolarHBondContact O-N 3.03Å
83E89.8Confident84.6Confident112 Ų11293 Ų9352%0.52346%0.462SS..Hα-helixtrans-56.3-43.8171.1-73.6163.4-175.900111.7A79 H80 E86 L87A79-E83 WeakPolarHBondContact O-CB 3.1Å; A79-E83 VanDerWaalsContact O-CG 3.27Å; A79-E83 WeakPolarHBondContact O-CG 3.4Å; A79-E83 PolarHBondContact O-N 2.84Å; H80-E83 WeakPolarHBondContact CA-OE2 3.33Å; H80-E83 IonicContact CE1-OE2 2.87Å; H80-E83 IonicContact CG-OE2 2.69Å; H80-E83 IonicContact ND1-OE2 3.97Å; H80-E83 PolarHBondContact ND1-OE2 3.5Å; E83-E86 PolarHBondContact O-N 2.99Å; E83-L87 WeakPolarHBondContact O-CB 3.44Å; E83-L87 PolarHBondContact O-N 2.86Å
84F92.9Very high85.5Confident106 Ų10695 Ų9547%0.46547%0.471SS..Hα-helixtrans-68.8-39176.4-180-106.5000112.6H80 Q81 D82 E86 L87 L88H80-F84 WeakPolarHBondContact O-CB 3.08Å; H80-F84 PolarHBondContact O-N 2.84Å; H80-F84 VanDerWaalsContact O-N 3.11Å; Q81-F84 PolarHBondContact O-N 3.41Å; D82-F84 VanDerWaalsContact C-N 3.32Å; D82-F84 PolarHBondContact O-N 2.8Å; F84-E86 VanDerWaalsContact C-N 3.32Å; F84-L87 PolarHBondContact O-N 3.1Å; F84-L88 HydrophobicContact CD1-CD1 4Å; F84-L88 HydrophobicContact CD1-CG 4.46Å; F84-L88 HydrophobicContact CE1-CD1 3.44Å; F84-L88 VanDerWaalsContact CE1-CD1 3.44Å; F84-L88 HydrophobicContact CE1-CG 4.07Å; F84-L88 HydrophobicContact CE2-CG 4.37Å; F84-L88 HydrophobicContact CZ-CD1 3.77Å; F84-L88 HydrophobicContact CZ-CD2 4.19Å; F84-L88 HydrophobicContact CZ-CG 4.01Å; F84-L88 WeakPolarHBondContact O-CG 3.49Å; F84-L88 PolarHBondContact O-N 2.98Å
85N90.7Very high86.2Confident70 Ų7096.5 Ų96.537%0.37448%0.477SS..Hα-helixtrans-63.6-39.1174.4-64.9-26.9000111.2Q81 D82 L88 A89Q81-N85 PolarHBondContact NE2-OD1 3.4Å; Q81-N85 WeakPolarHBondContact O-CB 3.48Å; Q81-N85 PolarHBondContact O-N 3.11Å; Q81-N85 PolarHBondContact O-ND2 2.83Å; Q81-N85 PolarHBondContact O-OD1 2.91Å; D82-N85 WeakPolarHBondContact O-CB 3.43Å; D82-N85 PolarHBondContact O-N 2.76Å; N85-L88 PolarHBondContact O-N 3.38Å; N85-A89 PolarHBondContact O-N 2.94Å
86E93.4Very high86Confident116 Ų11696.2 Ų96.254%0.54249%0.485SS..Hα-helixtrans-65.4-45.7175-172.1-179.2160.600111.2D82 E83 F84 L88 A89 Q90D82-E86 WeakPolarHBondContact O-CB 3.46Å; D82-E86 PolarHBondContact O-N 3.03Å; E83-E86 PolarHBondContact O-N 2.99Å; F84-E86 VanDerWaalsContact C-N 3.32Å; E86-L88 VanDerWaalsContact C-N 3.31Å; E86-L88 PolarHBondContact O-N 3.25Å; E86-A89 WeakPolarHBondContact O-CB 3.27Å; E86-A89 PolarHBondContact O-N 3.39Å; E86-A89 VanDerWaalsContact O-N 3.1Å; E86-Q90 HydrophobicContact CG-CG 4.5Å; E86-Q90 WeakPolarHBondContact O-CG 3.45Å; E86-Q90 PolarHBondContact O-N 2.84Å; E86-Q90 PolarHBondContact OE1-NE2 3.3Å
87L94.9Very high85.3Confident102 Ų10299.7 Ų99.753%0.53450%0.498SS..Hα-helixtrans-58.5-41.8174.6178.663.7000112E83 F84 L91E83-L87 WeakPolarHBondContact O-CB 3.44Å; E83-L87 PolarHBondContact O-N 2.86Å; F84-L87 PolarHBondContact O-N 3.1Å; L87-L91 VanDerWaalsContact O-CB 3.29Å; L87-L91 WeakPolarHBondContact O-CB 3.44Å; L87-L91 PolarHBondContact O-N 3.45Å
88L92.4Very high84.3Confident70 Ų7097.8 Ų97.837%0.36650%0.503SS..Hα-helixtrans-66.2-36.2175.1-73.2-179.2000112.5F84 N85 E86 N92F84-L88 HydrophobicContact CD1-CD1 4Å; F84-L88 HydrophobicContact CD1-CG 4.46Å; F84-L88 HydrophobicContact CE1-CD1 3.44Å; F84-L88 VanDerWaalsContact CE1-CD1 3.44Å; F84-L88 HydrophobicContact CE1-CG 4.07Å; F84-L88 HydrophobicContact CE2-CG 4.37Å; F84-L88 HydrophobicContact CZ-CD1 3.77Å; F84-L88 HydrophobicContact CZ-CD2 4.19Å; F84-L88 HydrophobicContact CZ-CG 4.01Å; F84-L88 WeakPolarHBondContact O-CG 3.49Å; F84-L88 PolarHBondContact O-N 2.98Å; N85-L88 PolarHBondContact O-N 3.38Å; E86-L88 VanDerWaalsContact C-N 3.31Å; E86-L88 PolarHBondContact O-N 3.25Å; L88-N92 WeakPolarHBondContact O-CB 3.22Å; L88-N92 VanDerWaalsContact O-CG 3.23Å; L88-N92 PolarHBondContact O-N 3.06Å; L88-N92 PolarHBondContact O-ND2 3.47Å; L88-N92 VanDerWaalsContact O-ND2 3.17Å
89A91.9Very high83.3Confident46 Ų46101.8 Ų101.838%0.3853%0.529SS..Hα-helixtrans-64.5-52.5173.600000110.8N85 E86 L91 N92 D93N85-A89 PolarHBondContact O-N 2.94Å; E86-A89 WeakPolarHBondContact O-CB 3.27Å; E86-A89 PolarHBondContact O-N 3.39Å; E86-A89 VanDerWaalsContact O-N 3.1Å; A89-L91 VanDerWaalsContact C-N 3.27Å; A89-L91 PolarHBondContact O-N 3.42Å; A89-N92 CarbonylContact O-C 3.59Å; A89-N92 WeakPolarHBondContact O-CA 3.29Å; A89-N92 WeakPolarHBondContact O-CB 3.38Å; A89-N92 PolarHBondContact O-N 2.92Å; A89-D93 VanDerWaalsContact O-CG 3.24Å; A89-D93 PolarHBondContact O-N 2.91Å
90Q94.1Very high81.9Confident102 Ų102105.9 Ų105.948%0.47756%0.555SS.*Hα-helixtrans-56.3-39.6176.4-68.1175.57.200112.3E86 D93 H94E86-Q90 HydrophobicContact CG-CG 4.5Å; E86-Q90 WeakPolarHBondContact O-CG 3.45Å; E86-Q90 PolarHBondContact O-N 2.84Å; E86-Q90 PolarHBondContact OE1-NE2 3.3Å; Q90-D93 PolarHBondContact O-N 2.9Å; Q90-H94 WeakPolarHBondContact O-CB 3.31Å; Q90-H94 PolarHBondContact O-N 3.35Å
91L93.3Very high80.2Confident89 Ų89105.8 Ų105.847%0.46656%0.56SS.*Hα-helixtrans-67.2-41.1176.2-169.674.5000111.9L87 A89 H94 H95L87-L91 VanDerWaalsContact O-CB 3.29Å; L87-L91 WeakPolarHBondContact O-CB 3.44Å; L87-L91 PolarHBondContact O-N 3.45Å; A89-L91 VanDerWaalsContact C-N 3.27Å; A89-L91 PolarHBondContact O-N 3.42Å; L91-H94 PolarHBondContact O-N 2.88Å; L91-H95 WeakPolarHBondContact O-CB 3.4Å; L91-H95 PolarHBondContact O-CD2 2.92Å; L91-H95 PolarHBondContact O-N 3.38Å
92N91.9Very high78.4Confident112 Ų112109.8 Ų109.860%0.59958%0.578SS**Hα-helixtrans-65.7-37.5174-74.9-29.3000111.7L88 A89 G96L88-N92 WeakPolarHBondContact O-CB 3.22Å; L88-N92 VanDerWaalsContact O-CG 3.23Å; L88-N92 PolarHBondContact O-N 3.06Å; L88-N92 PolarHBondContact O-ND2 3.47Å; L88-N92 VanDerWaalsContact O-ND2 3.17Å; A89-N92 CarbonylContact O-C 3.59Å; A89-N92 WeakPolarHBondContact O-CA 3.29Å; A89-N92 WeakPolarHBondContact O-CB 3.38Å; A89-N92 PolarHBondContact O-N 2.92Å; N92-G96 WeakPolarHBondContact O-CA 3.32Å; N92-G96 PolarHBondContact O-N 3.38Å
93D88.3Confident76.8Confident120 Ų120109.5 Ų109.564%0.64258%0.579SS**Hα-helixtrans-67-39.1176.7-63.2-28.4000111.2A89 Q90A89-D93 VanDerWaalsContact O-CG 3.24Å; A89-D93 PolarHBondContact O-N 2.91Å; Q90-D93 PolarHBondContact O-N 2.9Å
94H83.9Confident74.6Confident146 Ų146107.3 Ų107.368%0.67657%0.574SS**Hα-helixtrans-76.7-35.6-179.5-167.5-100.2000113.7Q90 L91Q90-H94 WeakPolarHBondContact O-CB 3.31Å; Q90-H94 PolarHBondContact O-N 3.35Å; L91-H94 PolarHBondContact O-N 2.88Å
95H81Confident72.7Confident136 Ų136108.4 Ų108.463%0.6359%0.592SS**Hα-helixtrans-101.9-10.1-179.5-70.8-83.1000114.7L91 Q97L91-H95 WeakPolarHBondContact O-CB 3.4Å; L91-H95 PolarHBondContact O-CD2 2.92Å; L91-H95 PolarHBondContact O-N 3.38Å; H95-Q97 PolarHBondContact O-N 3.47Å; H95-Q97 VanDerWaalsContact O-N 3.11Å
96G64.1Low70.6Confident38 Ų38110.7 Ų110.739%0.39261%0.605SS.*  trans-75.710.9-175.100000116.2N92 N98 T99N92-G96 WeakPolarHBondContact O-CA 3.32Å; N92-G96 PolarHBondContact O-N 3.38Å; G96-N98 PolarHBondContact O-N 2.92Å; G96-T99 PolarHBondContact O-N 3.36Å
97Q60.3Low68.5Low159 Ų159111.7 Ų111.774%0.74361%0.609SS**THydrogen-bonded Turntrans-67.121.6-176.1-68.5-67.3-38.400115.3H95H95-Q97 PolarHBondContact O-N 3.47Å; H95-Q97 VanDerWaalsContact O-N 3.11Å
98N55.7Low66.5Low159 Ų159114.1 Ų114.185%0.8562%0.62SS**THydrogen-bonded Turntrans-140.916.4178.6-83.7-57.9000115.2G96G96-N98 PolarHBondContact O-N 2.92Å
99T55.4Low64.8Low111 Ų111117.5 Ų117.568%0.68163%0.632SS**  trans-127.285.2160.855.70000110.4G96 N101G96-T99 PolarHBondContact O-N 3.36Å; T99-N101 PolarHBondContact O-N 2.89Å
100S49.4Very low63.3Low118 Ų118119 Ų11983%0.82564%0.639SS**  trans-64.689.8165-173.70000109.4
101N48.4Very low61.9Low134 Ų134121.6 Ų121.672%0.71765%0.649SS**  trans-130.171.4158.3-81.8-55.5000105.9T99 V103T99-N101 PolarHBondContact O-N 2.89Å; N101-V103 HydrophobicContact CB-CG2 4.35Å; N101-V103 PolarHBondContact O-N 3.34Å
102E49.5Very low61.3Low186 Ų186118.5 Ų118.587%0.86964%0.635SS**  trans-64.283.9161.1-173.1-178.9-136.500107.4P104E102-P104 WeakPolarHBondContact O-CD 3.44Å
103V51.5Low60.9Low68 Ų68115.9 Ų115.941%0.41262%0.621SS.*  trans-81112.7171.9179.30000106.4N101 E107N101-V103 HydrophobicContact CB-CG2 4.35Å; N101-V103 PolarHBondContact O-N 3.34Å; V103-E107 HydrophobicContact CG1-CB 3.92Å
104P44.3Very low60.6Low65 Ų65111.7 Ų111.742%0.42260%0.597SS.*  trans-61.4148.6-179.225.5-34000110.3E102 D106 E107E102-P104 WeakPolarHBondContact O-CD 3.44Å; P104-D106 PolarHBondContact O-N 3.04Å; P104-E107 HydrophobicContact CG-CG 4.38Å; P104-E107 PolarHBondContact O-N 2.84Å
105P52.9Low60.7Low130 Ų130111 Ų11184%0.84459%0.594SS**THydrogen-bonded Turntrans-61.5-12.9-172.723-33.7000114.5
106D46.7Very low60.8Low118 Ų118109.9 Ų109.963%0.63159%0.588SS**THydrogen-bonded Turntrans-77.4-15.9174.9-118.4-46.5000114.6P104 K109P104-D106 PolarHBondContact O-N 3.04Å; D106-K109 PolarHBondContact O-NZ 2.82Å; D106-K109 IonicContact OD1-NZ 2.64Å; D106-K109 PolarHBondContact OD1-NZ 3.11Å
107E47.8Very low61.6Low137 Ų137108.5 Ų108.564%0.6457%0.572SS**SBendtrans-102.8-3.4-178.4-68.7-161.6172.900114.6V103 P104 K109V103-E107 HydrophobicContact CG1-CB 3.92Å; P104-E107 HydrophobicContact CG-CG 4.38Å; P104-E107 PolarHBondContact O-N 2.84Å; E107-K109 PolarHBondContact O-N 2.91Å
108M52.9Low62.8Low153 Ų153106.9 Ų106.975%0.75456%0.562SS**  trans-74.827.2163.9-68.2-138.4-17700113.3S110M108-S110 PolarHBondContact O-N 2.99Å
109K58Low64Low141 Ų141104.3 Ų104.361%0.61355%0.553SS**  trans-66.286.5159.7-69-175.7-175.482.30107.8D106 E107 F111D106-K109 PolarHBondContact O-NZ 2.82Å; D106-K109 IonicContact OD1-NZ 2.64Å; D106-K109 PolarHBondContact OD1-NZ 3.11Å; E107-K109 PolarHBondContact O-N 2.91Å; K109-F111 PolarHBondContact O-N 2.97Å
110S59.3Low65.2Low78 Ų78101.2 Ų101.255%0.54554%0.536SS..  trans-39.3107.817755.90000110.1M108 S112 S136M108-S110 PolarHBondContact O-N 2.99Å; S110-S112 PolarHBondContact O-N 3.37Å; S110-S136 WeakPolarHBondContact OG-CB 3.36Å
111F65.8Low66.4Low155 Ų155106 Ų10668%0.6854%0.541SS*.  trans-56.3107.5-168-78.3-83.8000110K109 L113 K116K109-F111 PolarHBondContact O-N 2.97Å; F111-L113 PolarHBondContact O-N 3.2Å; F111-K116 HydrophobicContact CB-CD 3.91Å; F111-K116 VanDerWaalsContact CB-NZ 3.32Å; F111-K116 HydrophobicContact CD1-CD 4.44Å; F111-K116 HydrophobicContact CG-CD 4.42Å
112S81.1Confident67.6Low25 Ų25109.6 Ų109.618%0.17555%0.551CS.*  trans-55.8119.8-178.4170.20000108.7S110 E114 E115 K116 D134S110-S112 PolarHBondContact O-N 3.37Å; S112-E114 PolarHBondContact O-N 3.01Å; S112-E114 PolarHBondContact OG-N 3.05Å; S112-E115 PolarHBondContact O-N 3.09Å; S112-E115 VanDerWaalsContact O-N 3.13Å; S112-E115 PolarHBondContact OG-N 2.69Å; S112-K116 PolarHBondContact O-N 3.44Å; S112-D134 VanDerWaalsContact CA-OD2 3.24Å; S112-D134 WeakPolarHBondContact CA-OD2 3.25Å; S112-D134 WeakPolarHBondContact CB-OD2 3.49Å; S112-D134 PolarHBondContact OG-OD2 2.57Å
113L82.2Confident68.7Low57 Ų57108.2 Ų108.230%0.29854%0.538SS..Hα-helixtrans-62.9-33.3178.8-170.6151.8000109.2F111 S117 T130 K133 D134F111-L113 PolarHBondContact O-N 3.2Å; L113-S117 VanDerWaalsContact O-CB 3.31Å; L113-S117 WeakPolarHBondContact O-CB 3.08Å; L113-S117 PolarHBondContact O-N 2.86Å; L113-S117 PolarHBondContact O-OG 3.49Å; L113-T130 HydrophobicContact CD2-CG2 3.73Å; L113-K133 HydrophobicContact CD1-CD 4.39Å; L113-K133 HydrophobicContact CD1-CG 4.29Å; L113-D134 HydrophobicContact CB-CB 4.23Å; L113-D134 PolarHBondContact N-OD2 3.11Å
114E82.3Confident70Confident31 Ų31110.9 Ų110.915%0.14555%0.554CS.*Hα-helixtrans-63.1-44.4172.3-163.9-165.5159.900112.7S112 S117 K118 K131 D134S112-E114 PolarHBondContact O-N 3.01Å; S112-E114 PolarHBondContact OG-N 3.05Å; E114-S117 WeakPolarHBondContact CA-OG 3.16Å; E114-S117 PolarHBondContact O-N 2.99Å; E114-S117 PolarHBondContact O-OG 3.1Å; E114-K118 VanDerWaalsContact O-CG 3.28Å; E114-K118 WeakPolarHBondContact O-CG 3.48Å; E114-K118 PolarHBondContact O-N 2.96Å; E114-K118 WeakPolarHBondContact OE1-CE 3.41Å; E114-K118 IonicContact OE1-NZ 3.81Å; E114-K118 PolarHBondContact OE1-NZ 3.12Å; E114-K118 IonicContact OE2-NZ 2.69Å; E114-K131 HydrophobicContact CG-CG 4.14Å; E114-K131 WeakPolarHBondContact OE1-CE 3.4Å; E114-K131 IonicContact OE1-NZ 3.67Å; E114-K131 WeakPolarHBondContact OE2-CE 3.43Å; E114-K131 VanDerWaalsContact OE2-CG 3.26Å; E114-K131 WeakPolarHBondContact OE2-CG 3.49Å; E114-D134 PolarHBondContact N-OD2 3.05Å
115E85.3Confident71.7Confident131 Ų131110.4 Ų110.461%0.61255%0.546SS*.Hα-helixtrans-68.8-44.6179.4-172.1167.6-148.900112.4S112 S117 K118 T119S112-E115 PolarHBondContact O-N 3.09Å; S112-E115 VanDerWaalsContact O-N 3.13Å; S112-E115 PolarHBondContact OG-N 2.69Å; E115-S117 VanDerWaalsContact C-N 3.27Å; E115-S117 PolarHBondContact O-N 3.39Å; E115-K118 PolarHBondContact O-N 3.1Å; E115-T119 PolarHBondContact O-N 3.17Å; E115-T119 PolarHBondContact O-OG1 3.2Å
116K83.4Confident73.3Confident113 Ų113111.9 Ų111.949%0.49154%0.536SS..Hα-helixtrans-58.4-38.3171.4-81.6-175.1162.9168.30112.3F111 S112 T119 S120F111-K116 HydrophobicContact CB-CD 3.91Å; F111-K116 VanDerWaalsContact CB-NZ 3.32Å; F111-K116 HydrophobicContact CD1-CD 4.44Å; F111-K116 HydrophobicContact CG-CD 4.42Å; S112-K116 PolarHBondContact O-N 3.44Å; K116-T119 PolarHBondContact O-OG1 2.91Å; K116-T119 VanDerWaalsContact O-OG1 3.09Å; K116-S120 PolarHBondContact O-N 3.4Å
117S82.4Confident75.1Confident9 Ų9109.8 Ų109.86%0.06353%0.527CS..Hα-helixtrans-74.2-34.9179580000112.7L113 E114 E115 T119 S120 H125 T130L113-S117 VanDerWaalsContact O-CB 3.31Å; L113-S117 WeakPolarHBondContact O-CB 3.08Å; L113-S117 PolarHBondContact O-N 2.86Å; L113-S117 PolarHBondContact O-OG 3.49Å; E114-S117 WeakPolarHBondContact CA-OG 3.16Å; E114-S117 PolarHBondContact O-N 2.99Å; E114-S117 PolarHBondContact O-OG 3.1Å; E115-S117 VanDerWaalsContact C-N 3.27Å; E115-S117 PolarHBondContact O-N 3.39Å; S117-T119 VanDerWaalsContact C-N 3.34Å; S117-T119 PolarHBondContact O-N 3.44Å; S117-S120 PolarHBondContact O-N 3.42Å; S117-S120 PolarHBondContact O-OG 3.11Å; S117-H125 WeakPolarHBondContact CB-CD2 3.45Å; S117-H125 PolarHBondContact O-CD2 3.17Å; S117-H125 PolarHBondContact OG-CD2 3Å; S117-H125 PolarHBondContact OG-NE2 2.88Å; S117-T130 WeakPolarHBondContact OG-CG2 3.33Å
118K83.8Confident77.1Confident125 Ų125111.4 Ų111.454%0.54353%0.532SS..Hα-helixtrans-62.7-38.1176.9-77165.2-176.7159.70113E114 E115 S120 H125E114-K118 VanDerWaalsContact O-CG 3.28Å; E114-K118 WeakPolarHBondContact O-CG 3.48Å; E114-K118 PolarHBondContact O-N 2.96Å; E114-K118 WeakPolarHBondContact OE1-CE 3.41Å; E114-K118 IonicContact OE1-NZ 3.81Å; E114-K118 PolarHBondContact OE1-NZ 3.12Å; E114-K118 IonicContact OE2-NZ 2.69Å; E115-K118 PolarHBondContact O-N 3.1Å; K118-S120 VanDerWaalsContact C-N 3.34Å; K118-H125 PolarHBondContact N-CD2 3.33Å
119T82.3Confident78.7Confident105 Ų105110 Ų11064%0.64452%0.522SS*.Hα-helixtrans-78-19179.750.40000112.9E115 K116 S117 K121E115-T119 PolarHBondContact O-N 3.17Å; E115-T119 PolarHBondContact O-OG1 3.2Å; K116-T119 PolarHBondContact O-OG1 2.91Å; K116-T119 VanDerWaalsContact O-OG1 3.09Å; S117-T119 VanDerWaalsContact C-N 3.34Å; S117-T119 PolarHBondContact O-N 3.44Å; T119-K121 PolarHBondContact O-N 2.97Å
120S80.4Confident80Confident46 Ų46103.4 Ų103.432%0.32249%0.494SS..  trans-78.8111.6-178.577.40000113.1K116 S117 K118 K122K116-S120 PolarHBondContact O-N 3.4Å; S117-S120 PolarHBondContact O-N 3.42Å; S117-S120 PolarHBondContact O-OG 3.11Å; K118-S120 VanDerWaalsContact C-N 3.34Å; S120-K122 PolarHBondContact O-N 3.43Å
121K74.4Confident81.3Confident218 Ų218104.6 Ų104.695%0.94849%0.489SS*.THydrogen-bonded Turntrans-76.1-2.9176.7-62.9-179.9-178.7176.20114.6T119T119-K121 PolarHBondContact O-N 2.97Å
122K73.3Confident82.3Confident211 Ų211100 Ų10092%0.91749%0.485SS*.THydrogen-bonded Turntrans-106.3-0-167.4-146.5174.3-173.7178.40114.2S120S120-K122 PolarHBondContact O-N 3.43Å
123R73.1Confident82.6Confident157 Ų157105.7 Ų105.759%0.59251%0.507SS*.SBendtrans-141141-173.5-177.4177.3175.3-174.9-0.3111.1H125R123-H125 PolarHBondContact O-N 3.32Å
124V77.9Confident82.9Confident123 Ų123103.6 Ų103.675%0.74550%0.496SS*.  trans-63.9118.9171.8179.40000109.8Y126V124-Y126 PolarHBondContact O-N 3.18Å; V124-Y126 VanDerWaalsContact O-N 3.12Å
125H79.9Confident83.1Confident56 Ų56106.7 Ų106.726%0.25951%0.513SS..  trans-80.488.9-176.2-173.8-87.4000112.5S117 K118 R123 T127S117-H125 WeakPolarHBondContact CB-CD2 3.45Å; S117-H125 PolarHBondContact O-CD2 3.17Å; S117-H125 PolarHBondContact OG-CD2 3Å; S117-H125 PolarHBondContact OG-NE2 2.88Å; K118-H125 PolarHBondContact N-CD2 3.33Å; R123-H125 PolarHBondContact O-N 3.32Å; H125-T127 VanDerWaalsContact ND1-CG2 3.29Å; H125-T127 WeakPolarHBondContact ND1-CG2 3.38Å; H125-T127 PolarHBondContact O-N 2.83Å
126Y86.6Confident83.1Confident161 Ų161102.7 Ų102.763%0.63150%0.499SS*.  trans-83.182.6178-141.3-96000112V124 K128 F129 T130V124-Y126 PolarHBondContact O-N 3.18Å; V124-Y126 VanDerWaalsContact O-N 3.12Å; Y126-K128 VanDerWaalsContact C-N 3.27Å; Y126-K128 PolarHBondContact O-N 3.26Å; Y126-K128 VanDerWaalsContact O-N 3.09Å; Y126-F129 HydrophobicContact CD1-CB 4Å; Y126-F129 PolarHBondContact O-N 2.87Å; Y126-T130 PolarHBondContact O-N 3.14Å; Y126-T130 PolarHBondContact O-OG1 3.28Å
127T85.3Confident83.1Confident73 Ų73101.3 Ų101.345%0.44850%0.504SS..Hα-helixtrans-44.7-43.1-172.955.10000114.8H125 T130 K131H125-T127 VanDerWaalsContact ND1-CG2 3.29Å; H125-T127 WeakPolarHBondContact ND1-CG2 3.38Å; H125-T127 PolarHBondContact O-N 2.83Å; T127-T130 PolarHBondContact O-OG1 3.35Å; T127-K131 VanDerWaalsContact O-CB 3.31Å; T127-K131 WeakPolarHBondContact O-CB 3.43Å; T127-K131 VanDerWaalsContact O-CG 3.27Å; T127-K131 WeakPolarHBondContact O-CG 3.12Å; T127-K131 PolarHBondContact O-N 3.29Å; T127-K131 VanDerWaalsContact O-N 3.12Å
128K88.4Confident83.4Confident171 Ų171106.5 Ų106.574%0.74352%0.522SS*.Hα-helixtrans-68.3-38.1-179-66.5-175.9177.6-179.60112.4Y126 G132Y126-K128 VanDerWaalsContact C-N 3.27Å; Y126-K128 PolarHBondContact O-N 3.26Å; Y126-K128 VanDerWaalsContact O-N 3.09Å; K128-G132 PolarHBondContact O-N 3.41Å
129F86.6Confident83.8Confident124 Ų124103.7 Ų103.754%0.54452%0.519SS..Hα-helixtrans-77.5-39.6-178.7-175.6-95.3000111.5Y126 G132 K133Y126-F129 HydrophobicContact CD1-CB 4Å; Y126-F129 PolarHBondContact O-N 2.87Å; F129-G132 PolarHBondContact O-N 3.44Å; F129-K133 PolarHBondContact O-N 3.29Å; F129-K133 VanDerWaalsContact O-N 3.11Å
130T87.1Confident84.1Confident3 Ų3105.1 Ų105.12%0.01852%0.518CS..Hα-helixtrans-64.8-46.717755.50000110.8L113 S117 Y126 T127 G132 K133 D134L113-T130 HydrophobicContact CD2-CG2 3.73Å; S117-T130 WeakPolarHBondContact OG-CG2 3.33Å; Y126-T130 PolarHBondContact O-N 3.14Å; Y126-T130 PolarHBondContact O-OG1 3.28Å; T127-T130 PolarHBondContact O-OG1 3.35Å; T130-G132 VanDerWaalsContact C-N 3.32Å; T130-G132 PolarHBondContact O-N 3.48Å; T130-K133 PolarHBondContact O-N 3.03Å; T130-D134 WeakPolarHBondContact O-CB 3.4Å; T130-D134 PolarHBondContact O-N 3.35Å; T130-D134 VanDerWaalsContact O-N 3.15Å
131K86Confident84.5Confident102 Ų102107.3 Ų107.344%0.44353%0.53SS..Hα-helixtrans-61.2-32.7171-74.6-178174.3-169.10114.9E114 T127E114-K131 HydrophobicContact CG-CG 4.14Å; E114-K131 WeakPolarHBondContact OE1-CE 3.4Å; E114-K131 IonicContact OE1-NZ 3.67Å; E114-K131 WeakPolarHBondContact OE2-CE 3.43Å; E114-K131 VanDerWaalsContact OE2-CG 3.26Å; E114-K131 WeakPolarHBondContact OE2-CG 3.49Å; T127-K131 VanDerWaalsContact O-CB 3.31Å; T127-K131 WeakPolarHBondContact O-CB 3.43Å; T127-K131 VanDerWaalsContact O-CG 3.27Å; T127-K131 WeakPolarHBondContact O-CG 3.12Å; T127-K131 PolarHBondContact O-N 3.29Å; T127-K131 VanDerWaalsContact O-N 3.12Å
132G87Confident85.2Confident59 Ų59100.1 Ų100.161%0.60850%0.501SS*.Hα-helixtrans-71.6-31.8179.200000113K128 F129 T130K128-G132 PolarHBondContact O-N 3.41Å; F129-G132 PolarHBondContact O-N 3.44Å; T130-G132 VanDerWaalsContact C-N 3.32Å; T130-G132 PolarHBondContact O-N 3.48Å
133K87.7Confident86Confident145 Ų14591.9 Ų91.963%0.6347%0.467SS*.Hα-helixtrans-89.1-13.1177.7-172.4161-177.9164.50113.7L113 F129 T130L113-K133 HydrophobicContact CD1-CD 4.39Å; L113-K133 HydrophobicContact CD1-CG 4.29Å; F129-K133 PolarHBondContact O-N 3.29Å; F129-K133 VanDerWaalsContact O-N 3.11Å; T130-K133 PolarHBondContact O-N 3.03Å
134D88.1Confident86.7Confident12 Ų1285.4 Ų85.46%0.06444%0.444CS..  trans-91107.7-174.1-163.1-10.7000112.4S112 L113 E114 T130 S136 S137S112-D134 VanDerWaalsContact CA-OD2 3.24Å; S112-D134 WeakPolarHBondContact CA-OD2 3.25Å; S112-D134 WeakPolarHBondContact CB-OD2 3.49Å; S112-D134 PolarHBondContact OG-OD2 2.57Å; L113-D134 HydrophobicContact CB-CB 4.23Å; L113-D134 PolarHBondContact N-OD2 3.11Å; E114-D134 PolarHBondContact N-OD2 3.05Å; T130-D134 WeakPolarHBondContact O-CB 3.4Å; T130-D134 PolarHBondContact O-N 3.35Å; T130-D134 VanDerWaalsContact O-N 3.15Å; D134-S136 VanDerWaalsContact OD1-CB 3.25Å; D134-S136 WeakPolarHBondContact OD1-CB 3.2Å; D134-S136 PolarHBondContact OD1-N 3.09Å; D134-S136 PolarHBondContact OD1-OG 2.85Å; D134-S136 PolarHBondContact OD2-OG 3.02Å; D134-S137 PolarHBondContact O-OG 3.17Å
135L85.4Confident87Confident97 Ų9784.6 Ų84.651%0.50844%0.443SS..  trans-83.3-11.9177.6-61.8-179.1000113.4S137 R138 L143L135-S137 PolarHBondContact O-N 3.03Å; L135-S137 VanDerWaalsContact O-N 3.11Å; L135-R138 HydrophobicContact CD2-CG 4.25Å; L135-R138 WeakPolarHBondContact O-CB 3.47Å; L135-R138 PolarHBondContact O-N 2.88Å; L135-L143 HydrophobicContact CB-CD2 4.35Å; L135-L143 HydrophobicContact CD1-CD2 4.48Å; L135-L143 HydrophobicContact CD2-CD2 4.33Å
136S86.2Confident87.4Confident46 Ų4687.6 Ų87.632%0.32246%0.46SS..THydrogen-bonded Turntrans-60.1-25.3-178.563.50000113.7S110 D134S110-S136 WeakPolarHBondContact OG-CB 3.36Å; D134-S136 VanDerWaalsContact OD1-CB 3.25Å; D134-S136 WeakPolarHBondContact OD1-CB 3.2Å; D134-S136 PolarHBondContact OD1-N 3.09Å; D134-S136 PolarHBondContact OD1-OG 2.85Å; D134-S136 PolarHBondContact OD2-OG 3.02Å
137S83.7Confident87.2Confident85 Ų8586 Ų8659%0.59446%0.456SS*.THydrogen-bonded Turntrans-89.3-3.8179.766.90000114.9D134 L135D134-S137 PolarHBondContact O-OG 3.17Å; L135-S137 PolarHBondContact O-N 3.03Å; L135-S137 VanDerWaalsContact O-N 3.11Å
138R89Confident86.8Confident117 Ų11784 Ų8444%0.44245%0.45SS..SBendtrans-88.3143-177.4-57.4-66160-171.3-3.5110.4L135 D142 L143L135-R138 HydrophobicContact CD2-CG 4.25Å; L135-R138 WeakPolarHBondContact O-CB 3.47Å; L135-R138 PolarHBondContact O-N 2.88Å; R138-D142 WeakPolarHBondContact CD-OD2 3.03Å; R138-L143 HydrophobicContact CB-CD2 3.99Å; R138-L143 HydrophobicContact CB-CG 4.16Å
139S91.4Very high86.3Confident67 Ų6781.2 Ų81.247%0.46944%0.438SS..  trans-68.7145.4174.5530000110.3T141 D142 L143S139-T141 PolarHBondContact O-N 3.31Å; S139-T141 VanDerWaalsContact O-N 3.11Å; S139-T141 PolarHBondContact OG-OG1 3.05Å; S139-T141 VanDerWaalsContact OG-OG1 3.09Å; S139-D142 WeakPolarHBondContact O-CB 3.49Å; S139-D142 PolarHBondContact O-N 3.36Å; S139-L143 PolarHBondContact O-N 3.39Å; S139-L143 VanDerWaalsContact O-N 3.17Å
140E88.5Confident85.6Confident135 Ų13580.5 Ų80.563%0.63143%0.432SS*.Hα-helixtrans-53.4-35.6176.9-161.3-154.8135.500112D142 L143 N144E140-D142 VanDerWaalsContact C-N 3.33Å; E140-D142 PolarHBondContact O-N 3.49Å; E140-L143 PolarHBondContact O-N 3.45Å; E140-N144 WeakPolarHBondContact O-CB 3.48Å; E140-N144 PolarHBondContact O-N 3.19Å; E140-N144 PolarHBondContact O-ND2 2.8Å; E140-N144 PolarHBondContact OE1-ND2 2.87Å
141T89.4Confident84.6Confident92 Ų9285.1 Ų85.156%0.56446%0.46SS*.Hα-helixtrans-60.8-35.6174.151.60000114.2S139 C145S139-T141 PolarHBondContact O-N 3.31Å; S139-T141 VanDerWaalsContact O-N 3.11Å; S139-T141 PolarHBondContact OG-OG1 3.05Å; S139-T141 VanDerWaalsContact OG-OG1 3.09Å; T141-C145 PolarHBondContact O-N 3.4Å; T141-C145 PolarHBondContact O-SG 3.37Å
142D89.4Confident83.5Confident66 Ų6687.1 Ų87.135%0.35347%0.469SS..Hα-helixtrans-74.5-42.1179-173.345.1000110R138 S139 E140 C145 I146R138-D142 WeakPolarHBondContact CD-OD2 3.03Å; S139-D142 WeakPolarHBondContact O-CB 3.49Å; S139-D142 PolarHBondContact O-N 3.36Å; E140-D142 VanDerWaalsContact C-N 3.33Å; E140-D142 PolarHBondContact O-N 3.49Å; D142-C145 WeakPolarHBondContact O-CB 3.5Å; D142-C145 PolarHBondContact O-N 2.75Å; D142-I146 WeakPolarHBondContact O-CG1 3.14Å; D142-I146 PolarHBondContact O-N 3.02Å
143L89.1Confident81.8Confident38 Ų3887.7 Ų87.720%0.19946%0.463CS..Hα-helixtrans-60.8-47.3171.8-61.2178.4000111.3L135 R138 S139 E140 C145 I146 F147L135-L143 HydrophobicContact CB-CD2 4.35Å; L135-L143 HydrophobicContact CD1-CD2 4.48Å; L135-L143 HydrophobicContact CD2-CD2 4.33Å; R138-L143 HydrophobicContact CB-CD2 3.99Å; R138-L143 HydrophobicContact CB-CG 4.16Å; S139-L143 PolarHBondContact O-N 3.39Å; S139-L143 VanDerWaalsContact O-N 3.17Å; E140-L143 PolarHBondContact O-N 3.45Å; L143-C145 VanDerWaalsContact C-N 3.32Å; L143-C145 PolarHBondContact O-N 2.7Å; L143-I146 PolarHBondContact O-N 2.94Å; L143-F147 HydrophobicContact CB-CD2 4.17Å; L143-F147 HydrophobicContact CB-CE2 4.02Å; L143-F147 WeakPolarHBondContact O-CD2 3.02Å; L143-F147 WeakPolarHBondContact O-CG 3.35Å; L143-F147 PolarHBondContact O-N 3.05Å
144N87.7Confident80.2Confident21 Ų2185.1 Ų85.111%0.11247%0.469CS..Hα-helixtrans-63.1-35.3179.2-76.2-18000112.3E140 I146 F147 G148 K149E140-N144 WeakPolarHBondContact O-CB 3.48Å; E140-N144 PolarHBondContact O-N 3.19Å; E140-N144 PolarHBondContact O-ND2 2.8Å; E140-N144 PolarHBondContact OE1-ND2 2.87Å; N144-I146 VanDerWaalsContact C-N 3.34Å; N144-I146 PolarHBondContact O-N 3.04Å; N144-F147 PolarHBondContact O-N 2.9Å; N144-G148 CarbonylContact O-C 3.56Å; N144-G148 PolarHBondContact O-N 3.17Å; N144-K149 HydrophobicContact CB-CB 4.12Å; N144-K149 WeakPolarHBondContact CB-O 3.26Å; N144-K149 PolarHBondContact O-N 3.38Å
145C84.8Confident78.1Confident106 Ų10693.2 Ų93.272%0.71650%0.504SS*.Hα-helixtrans-61.6-38170.2-76.20000113.1T141 D142 L143T141-C145 PolarHBondContact O-N 3.4Å; T141-C145 PolarHBondContact O-SG 3.37Å; D142-C145 WeakPolarHBondContact O-CB 3.5Å; D142-C145 PolarHBondContact O-N 2.75Å; L143-C145 VanDerWaalsContact C-N 3.32Å; L143-C145 PolarHBondContact O-N 2.7Å
146I88Confident76.1Confident119 Ų11994.7 Ų94.761%0.6151%0.512SS*.Hα-helixtrans-74.1-41.2177.5-63.2165000111D142 L143 N144 G148D142-I146 WeakPolarHBondContact O-CG1 3.14Å; D142-I146 PolarHBondContact O-N 3.02Å; L143-I146 PolarHBondContact O-N 2.94Å; N144-I146 VanDerWaalsContact C-N 3.34Å; N144-I146 PolarHBondContact O-N 3.04Å; I146-G148 VanDerWaalsContact C-N 3.26Å; I146-G148 PolarHBondContact O-N 3.43Å
147F82.4Confident74.2Confident129 Ų12999.2 Ų99.257%0.56653%0.528SS*.THydrogen-bonded Turntrans-811.7-179.6-62.8-54.8000114.2L143 N144 K149L143-F147 HydrophobicContact CB-CD2 4.17Å; L143-F147 HydrophobicContact CB-CE2 4.02Å; L143-F147 WeakPolarHBondContact O-CD2 3.02Å; L143-F147 WeakPolarHBondContact O-CG 3.35Å; L143-F147 PolarHBondContact O-N 3.05Å; N144-F147 PolarHBondContact O-N 2.9Å; F147-K149 HydrophobicContact CB-CD 4.41Å; F147-K149 HydrophobicContact CB-CG 4.07Å; F147-K149 PolarHBondContact O-N 2.92Å; F147-K149 VanDerWaalsContact O-N 3.17Å
148G76Confident72.3Confident31 Ų31103.2 Ų103.232%0.3254%0.538SS..THydrogen-bonded Turntrans68.27.1-177.200000114.7I78 N144 I146 R150I78-G148 WeakPolarHBondContact CD1-O 2.96Å; N144-G148 CarbonylContact O-C 3.56Å; N144-G148 PolarHBondContact O-N 3.17Å; I146-G148 VanDerWaalsContact C-N 3.26Å; I146-G148 PolarHBondContact O-N 3.43Å; G148-R150 PolarHBondContact O-N 3.37Å
149K78.6Confident70.1Confident112 Ų112106.4 Ų106.449%0.48756%0.558SS.*  trans-74.992.7-177.6-67.7-170.6175.3-1680110.1N144 F147 T151N144-K149 HydrophobicContact CB-CB 4.12Å; N144-K149 WeakPolarHBondContact CB-O 3.26Å; N144-K149 PolarHBondContact O-N 3.38Å; F147-K149 HydrophobicContact CB-CD 4.41Å; F147-K149 HydrophobicContact CB-CG 4.07Å; F147-K149 PolarHBondContact O-N 2.92Å; F147-K149 VanDerWaalsContact O-N 3.17Å; K149-T151 PolarHBondContact O-N 3.09Å
150R72.6Confident67.5Low108 Ų108106.7 Ų106.741%0.40857%0.571SS.*  trans-67.8114.9170.5-73.9-174.3-69.8-110.7-25.1109.2E74 D75 G148 K152E74-R150 VanDerWaalsContact CB-NH1 3.34Å; E74-R150 PolarHBondContact O-NH2 2.69Å; E74-R150 IonicContact OE2-CZ 3.95Å; E74-R150 IonicContact OE2-NH1 2.86Å; E74-R150 PolarHBondContact OE2-NH1 3.25Å; D75-R150 IonicContact OD1-CZ 2.92Å; D75-R150 IonicContact OD1-NE 2.84Å; D75-R150 PolarHBondContact OD1-NE 3.49Å; D75-R150 IonicContact OD1-NH2 3.81Å; D75-R150 PolarHBondContact OD1-NH2 3.26Å; G148-R150 PolarHBondContact O-N 3.37Å; R150-K152 PolarHBondContact O-N 3.42Å
151T66.5Low65.2Low100 Ų100111.2 Ų111.261%0.61358%0.582SS**  trans-62.7102.2168.353.90000108.3K149 S153K149-T151 PolarHBondContact O-N 3.09Å; T151-S153 PolarHBondContact O-N 3.16Å
152K61.8Low62.7Low145 Ų145112 Ų11263%0.6359%0.591SS**  trans-56.1108.6175.6-70176.4179.3171.80108D75 R150 A154D75-K152 WeakPolarHBondContact OD2-CE 2.93Å; D75-K152 IonicContact OD2-NZ 2.73Å; R150-K152 PolarHBondContact O-N 3.42Å; K152-A154 PolarHBondContact O-N 3.36Å
153S51.3Low60.6Low70 Ų70120.2 Ų120.249%0.4962%0.617SS.*  trans-61.4135.2176.1860000107.4T151 K155 D156T151-S153 PolarHBondContact O-N 3.16Å; S153-K155 PolarHBondContact O-N 3.13Å; S153-D156 PolarHBondContact O-N 2.96Å
154A53.7Low58.2Low91 Ų91123.3 Ų123.375%0.75264%0.643SS**THydrogen-bonded Turntrans-60.6-0.5-171.500000114.8K152K152-A154 PolarHBondContact O-N 3.36Å
155K43.6Very low55.6Low182 Ų182130.8 Ų130.879%0.79168%0.677SS**THydrogen-bonded Turntrans-77.4-20.6179.8-132.5169.8-174172.80114.6S153S153-K155 PolarHBondContact O-N 3.13Å
156D45.1Very low52.9Low128 Ų128131 Ų13168%0.68468%0.679SS**SBendtrans-99-6-174.4-62.7-50.5000114S153S153-D156 PolarHBondContact O-N 2.96Å
157Q44.9Very low50.7Low141 Ų141130.7 Ų130.766%0.65969%0.685SS**SBendtrans-79.9-20.1-179.9-74.8-155.7-1.300114.9Q159Q157-Q159 VanDerWaalsContact C-N 3.34Å; Q157-Q159 PolarHBondContact O-N 3.29Å
158E43.8Very low48.2Very low170 Ų170130.9 Ų130.979%0.79470%0.697SS**THydrogen-bonded Turntrans-75.5-16.6-173.5-67.8-171156.600114.5
159Q43.2Very low46.1Very low184 Ų184138.1 Ų138.186%0.8672%0.722SS**THydrogen-bonded Turntrans-93.8-9-178.9-73.2-175.9-6.700114.8Q157Q157-Q159 VanDerWaalsContact C-N 3.34Å; Q157-Q159 PolarHBondContact O-N 3.29Å
160G38Very low44Very low73 Ų73138.1 Ų138.175%0.75374%0.736SS**SBendtrans-91.7-11.7-179.600000115.4
161R40Very low42.1Very low230 Ų230142 Ų14287%0.86876%0.759SS**SBendtrans-111.54.7-161.4-151.2171.1177.9-167.4-2.1115.5
162S36.4Very low40.6Very low108 Ų108145.4 Ų145.476%0.75577%0.768SS**SBendtrans-100.722.9-177.358.70000114.7
163R45.9Very low39.1Very low238 Ų238144 Ų14490%0.89878%0.777SS**SBendtrans-141.361.4179-160.8-178.6-179.2166.41.3114
164S38.2Very low38.1Very low104 Ų104144.6 Ų144.673%0.72779%0.794SS**SBendtrans-159.9162.9149.6-89.20000109.3
165E32.1Very low37Very low177 Ų177146.2 Ų146.283%0.82779%0.794SS**  trans70.597.5177.3-48.6-46.8114.900117.6
166S29.8Very low36.6Very low110 Ų110147 Ų14777%0.76980%0.798SS**  trans-142.9122.7143-174.70000108.6
167P41.4Very low35.9Very low114 Ų114145.3 Ų145.374%0.7480%0.802SS**  trans-88.114217934.3-33.2000112
168V29.8Very low35.4Very low133 Ų133144.2 Ų144.281%0.80681%0.81SS**  trans-148124.8163-177.90000103.9
169E31.5Very low35.3Very low182 Ų182141.7 Ų141.785%0.8581%0.811SS**  cis9758.424.666.2-165.6121.700108.2
170S34Very low35.3Very low113 Ų113141.4 Ų141.479%0.7981%0.809SS**  trans-75.4127.4175.8-59.10000111.3
171E34.2Very low35.2Very low188 Ų188145.2 Ų145.288%0.87981%0.812SS**  trans-137.6160.8161.1-90.3-63.9167.100109.8
172E33.2Very low35.1Very low172 Ų172140.4 Ų140.480%0.80480%0.803SS**  trans-94.4161.9-146.5-154-172.6129.800117.4
173S30.8Very low35.5Very low116 Ų116141.1 Ų141.181%0.81180%0.803SS**  trans92.4132.9148.981.80000120.2
174G30.6Very low35.8Very low83 Ų83137.5 Ų137.586%0.85680%0.797SS**  trans153.183.9173.600000116.2
175T29.9Very low36.4Very low124 Ų124137.2 Ų137.276%0.76179%0.794SS**  trans-60.1144-176.1360000119.1
176K36.4Very low37.4Very low200 Ų200136 Ų13687%0.8779%0.792SS**  trans70.1144.2143.8-69.3171.2-177179.60118.5
177A29.6Very low38.4Very low92 Ų92135.4 Ų135.476%0.7678%0.784SS**  cis-166.1162.2-8.500000113.2
178S34.7Very low39Very low118 Ų118139 Ų13983%0.82579%0.788SS**  trans70100.9148.3-1690000121.6
179S42.3Very low40.2Very low117 Ų117137.8 Ų137.882%0.81878%0.781SS**  -170.8123115.7600000112.2
180E42.4Very low41.6Very low178 Ų178135.5 Ų135.583%0.83278%0.779SS**  trans-57.5141173.7-58.5161.8134.900113.7
181L36.9Very low43.2Very low152 Ų152136.4 Ų136.480%0.79678%0.78SS**  172.2142.3102.4-85.9177.4000112.7
182D38.1Very low45.2Very low130 Ų130131.1 Ų131.170%0.69576%0.764SS**  trans51.482.9161.1-69.3-14.6000121.4
183T43.3Very low47.2Very low123 Ų123129 Ų12976%0.75577%0.768SS**  trans-112.14.2152.954.60000114
184E52.5Low49.3Very low162 Ų162126.7 Ų126.776%0.75775%0.746SS**THydrogen-bonded Turntrans-86.1-7.1-172.9-61.4-165.5167.400115
185S50.6Low52Low97 Ų97125.9 Ų125.968%0.67873%0.727SS**THydrogen-bonded Turntrans-88.1-20.5-176.458.50000114.7
186I54.2Low54.5Low152 Ų152126.4 Ų126.478%0.77972%0.723SS**THydrogen-bonded Turntrans-101.7-26.6-170.6-65.8177.3000113.4
187T51Low57Low97 Ų97123.4 Ų123.460%0.59571%0.712SS**  trans-135.681.9-18055.10000113.2T189T187-T189 PolarHBondContact O-N 2.98Å
188K53.7Low59.9Low189 Ų189124.1 Ų124.182%0.82270%0.7SS**  trans-75.366.2164.1-72.2-173.6176.7-179.70111.1V190K188-V190 PolarHBondContact O-N 3.38Å
189T55.3Low62.5Low108 Ų108123.3 Ų123.366%0.66368%0.679SS**  trans-86.399.4176.3-52.50000109.4T187 T191T187-T189 PolarHBondContact O-N 2.98Å; T189-T191 PolarHBondContact O-N 2.88Å
190V60.4Low64.9Low135 Ų135123.8 Ų123.882%0.81867%0.667SS**  trans-82106.9174179.70000109K188 S192K188-V190 PolarHBondContact O-N 3.38Å; V190-S192 PolarHBondContact O-N 2.96Å
191T66.6Low67.2Low131 Ų131118.2 Ų118.280%0.80465%0.651SS**  trans-81.391.6175.143.60000110.7T189T189-T191 PolarHBondContact O-N 2.88Å
192S76.1Confident69.8Low78 Ų78115.7 Ų115.755%0.54564%0.635SS.*  trans-72.7134.2169.559.20000110.9V190 L194V190-S192 PolarHBondContact O-N 2.96Å; S192-L194 PolarHBondContact O-N 3.33Å
193S76.1Confident72.2Confident126 Ų126115.5 Ų115.588%0.88163%0.625SS**  trans-73.70.9175.651.90000114.9
194L75.9Confident74.2Confident69 Ų69114.9 Ų114.936%0.36162%0.615SS.*SBendtrans-82139.5-178.9-61.1175.1000111.1S192 E198S192-L194 PolarHBondContact O-N 3.33Å; L194-E198 HydrophobicContact CD2-CG 4.37Å
195S86.3Confident75.8Confident66 Ų66109.8 Ų109.846%0.46260%0.6SS.*  trans-66.3150.5174.2-172.50000111.2Q197 E198 Y199S195-Q197 PolarHBondContact O-N 3.49Å; S195-Q197 PolarHBondContact OG-OE1 3.29Å; S195-E198 WeakPolarHBondContact O-CA 3.4Å; S195-E198 WeakPolarHBondContact O-CB 3.42Å; S195-E198 PolarHBondContact O-N 2.81Å; S195-Y199 PolarHBondContact O-N 3.46Å
196M83.3Confident77.4Confident135 Ų135109.7 Ų109.767%0.66559%0.589SS**Hα-helixtrans-54.9-41.2-177.4-68.7-160.5-54.100112.4E198 Y199 F200M196-E198 VanDerWaalsContact C-N 3.28Å; M196-E198 PolarHBondContact O-N 2.66Å; M196-Y199 PolarHBondContact O-N 2.82Å; M196-F200 WeakPolarHBondContact O-CD2 3.31Å; M196-F200 PolarHBondContact O-N 3.34Å
197Q87.3Confident78.7Confident136 Ų136108.9 Ų108.964%0.63659%0.586SS**Hα-helixtrans-61.4-37.9178.9-68.581-9.900111.5S195 A201S195-Q197 PolarHBondContact O-N 3.49Å; S195-Q197 PolarHBondContact OG-OE1 3.29Å; Q197-A201 WeakPolarHBondContact O-CB 3.24Å; Q197-A201 PolarHBondContact O-N 3.23Å
198E91.4Very high79.9Confident108 Ų108112.4 Ų112.451%0.50559%0.593SS.*Hα-helixtrans-73-39.4178.8-168.8168.8-157.100111.5L194 S195 M196 A201 Q202L194-E198 HydrophobicContact CD2-CG 4.37Å; S195-E198 WeakPolarHBondContact O-CA 3.4Å; S195-E198 WeakPolarHBondContact O-CB 3.42Å; S195-E198 PolarHBondContact O-N 2.81Å; M196-E198 VanDerWaalsContact C-N 3.28Å; M196-E198 PolarHBondContact O-N 2.66Å; E198-A201 PolarHBondContact O-N 3.42Å; E198-Q202 WeakPolarHBondContact O-CB 3.45Å; E198-Q202 PolarHBondContact O-N 3.1Å
199Y89.1Confident81.2Confident101 Ų101111.1 Ų111.140%0.39659%0.587SS.*Hα-helixtrans-58.6-48.4170.4173.6-100.6000112S195 M196 Q202 R203S195-Y199 PolarHBondContact O-N 3.46Å; M196-Y199 PolarHBondContact O-N 2.82Å; Y199-Q202 PolarHBondContact O-N 3.26Å; Y199-R203 VanDerWaalsContact O-CB 3.31Å; Y199-R203 WeakPolarHBondContact O-CB 3.27Å; Y199-R203 PolarHBondContact O-N 3Å
200F92.1Very high81.8Confident126 Ų126111.8 Ų111.855%0.55359%0.593SS**Hα-helixtrans-65.8-39.3177.5-74.1-64.4000112.5M196 R203 M204M196-F200 WeakPolarHBondContact O-CD2 3.31Å; M196-F200 PolarHBondContact O-N 3.34Å; F200-R203 PolarHBondContact O-N 2.88Å; F200-M204 WeakPolarHBondContact O-CB 3.29Å; F200-M204 VanDerWaalsContact O-CG 3.22Å; F200-M204 WeakPolarHBondContact O-CG 3.39Å; F200-M204 PolarHBondContact O-N 3.3Å
201A90.9Very high81.6Confident62 Ų62117.2 Ų117.251%0.51260%0.599SS.*Hα-helixtrans-60.6-47.3174.300000111.6Q197 E198 R203 M204 A205Q197-A201 WeakPolarHBondContact O-CB 3.24Å; Q197-A201 PolarHBondContact O-N 3.23Å; E198-A201 PolarHBondContact O-N 3.42Å; A201-R203 PolarHBondContact O-N 3.31Å; A201-M204 PolarHBondContact O-N 3.12Å; A201-A205 WeakPolarHBondContact O-CB 3.33Å; A201-A205 PolarHBondContact O-N 3.21Å
202Q90.9Very high80.7Confident98 Ų98114.7 Ų114.746%0.45860%0.599SS.*Hα-helixtrans-62.8-41177-167.8-176.256.500111.7E198 Y199 A205 Q206E198-Q202 WeakPolarHBondContact O-CB 3.45Å; E198-Q202 PolarHBondContact O-N 3.1Å; Y199-Q202 PolarHBondContact O-N 3.26Å; Q202-A205 PolarHBondContact O-N 3.41Å; Q202-Q206 WeakPolarHBondContact O-CG 3.28Å; Q202-Q206 PolarHBondContact O-N 3.15Å
203R88.8Confident79.1Confident127 Ų127116.1 Ų116.148%0.47961%0.609SS.*Hα-helixtrans-65.7-42.1177.9-15968167.6173.2-7112.2Y199 F200 A201 Q206 L207Y199-R203 VanDerWaalsContact O-CB 3.31Å; Y199-R203 WeakPolarHBondContact O-CB 3.27Å; Y199-R203 PolarHBondContact O-N 3Å; F200-R203 PolarHBondContact O-N 2.88Å; A201-R203 PolarHBondContact O-N 3.31Å; R203-Q206 PolarHBondContact O-N 3.32Å; R203-L207 WeakPolarHBondContact O-CG 3.31Å; R203-L207 PolarHBondContact O-N 3.26Å
204M85.7Confident77.3Confident110 Ų110119.8 Ų119.854%0.54261%0.612SS.*Hα-helixtrans-68.3-34.9175.8-70.2-67.7-81.200112.1F200 A201 L207 K208F200-M204 WeakPolarHBondContact O-CB 3.29Å; F200-M204 VanDerWaalsContact O-CG 3.22Å; F200-M204 WeakPolarHBondContact O-CG 3.39Å; F200-M204 PolarHBondContact O-N 3.3Å; A201-M204 PolarHBondContact O-N 3.12Å; M204-L207 PolarHBondContact O-N 3.39Å; M204-L207 HydrophobicContact SD-CD1 4.43Å; M204-K208 WeakPolarHBondContact O-CG 3.42Å; M204-K208 PolarHBondContact O-N 3.04Å; M204-K208 VanDerWaalsContact O-N 3.14Å
205A87Confident75.7Confident55 Ų55120.1 Ų120.146%0.45563%0.633SS.*Hα-helixtrans-67.5-39.3172.200000112.3A201 Q202 K208 K209A201-A205 WeakPolarHBondContact O-CB 3.33Å; A201-A205 PolarHBondContact O-N 3.21Å; Q202-A205 PolarHBondContact O-N 3.41Å; A205-K208 PolarHBondContact O-N 3.11Å; A205-K209 PolarHBondContact O-N 3.24Å
206Q84.4Confident73.2Confident95 Ų95122.8 Ų122.844%0.44465%0.652SS.*Hα-helixtrans-62.1-42.3173.4-74.6170.8900112Q202 R203 K208 K209Q202-Q206 WeakPolarHBondContact O-CG 3.28Å; Q202-Q206 PolarHBondContact O-N 3.15Å; R203-Q206 PolarHBondContact O-N 3.32Å; Q206-K208 VanDerWaalsContact C-N 3.27Å; Q206-K208 PolarHBondContact O-N 3.05Å; Q206-K209 PolarHBondContact O-N 3.09Å
207L79.7Confident70.9Confident134 Ų134120.6 Ų120.670%0.70266%0.655SS**Hα-helixtrans-68.1-24177.1-74.5163.8000113.6R203 M204R203-L207 WeakPolarHBondContact O-CG 3.31Å; R203-L207 PolarHBondContact O-N 3.26Å; M204-L207 PolarHBondContact O-N 3.39Å; M204-L207 HydrophobicContact SD-CD1 4.43Å
208K77.9Confident68.3Low171 Ų171119.8 Ų119.874%0.74366%0.664SS**Hα-helixtrans-88.9-7176.8-75.1-178.6174.9-172.70114.4M204 A205 Q206M204-K208 WeakPolarHBondContact O-CG 3.42Å; M204-K208 PolarHBondContact O-N 3.04Å; M204-K208 VanDerWaalsContact O-N 3.14Å; A205-K208 PolarHBondContact O-N 3.11Å; Q206-K208 VanDerWaalsContact C-N 3.27Å; Q206-K208 PolarHBondContact O-N 3.05Å
209K79.5Confident65.6Low162 Ų162119.8 Ų119.870%0.70468%0.676SS**SBendtrans-76.1125.9172-76.9-174.1176-172.90109.9A205 Q206 R211A205-K209 PolarHBondContact O-N 3.24Å; Q206-K209 PolarHBondContact O-N 3.09Å; K209-R211 PolarHBondContact O-N 3.12Å
210P68.7Low63Low122 Ų122120.7 Ų120.779%0.79269%0.692SS**  trans-62135.5170.327.3-33.2000109.2G212P210-G212 VanDerWaalsContact C-N 3.31Å; P210-G212 PolarHBondContact O-N 3.04Å
211R55.5Low60.3Low249 Ų249124.3 Ų124.394%0.9471%0.707SS**  trans-82.173.8-168.7-157.9177.1-165140-1.4111K209K209-R211 PolarHBondContact O-N 3.12Å
212G48.7Very low57.6Low78 Ų78124.7 Ų124.780%0.80471%0.711SS**  trans-65.3138.1173.200000111.9P210P210-G212 VanDerWaalsContact C-N 3.31Å; P210-G212 PolarHBondContact O-N 3.04Å
213S42.3Very low54.8Low109 Ų109128.5 Ų128.576%0.76273%0.729SS**  trans-127.5122.7-173.658.10000112.6
214E38.7Very low52.1Low202 Ų202128.1 Ų128.194%0.94474%0.74SS**  trans-153.9145.2149.9-68.8-158.2167.500106.7
215G41Very low49.4Very low77 Ų77128.3 Ų128.379%0.79475%0.748SS**  cis-160.3-179.8-11.300000106.3
216S33.7Very low46.8Very low122 Ų122133.4 Ų133.485%0.85376%0.762SS**  cis-172.9151.312.7174.60000107.4
217A35.6Very low44Very low89 Ų89133.9 Ų133.974%0.73677%0.772SS**  cis-173.3150.3-23.400000108.6
218S32.4Very low41.6Very low119 Ų119132.8 Ų132.883%0.83278%0.775SS**  trans-160107.2148.8-161.40000114.1
219S35.5Very low39.3Very low108 Ų108129.8 Ų129.876%0.75578%0.776SS**  trans80.3127.3140.7-132.70000124.3
220V33.5Very low37.5Very low119 Ų119127 Ų12772%0.72177%0.774SS**  trans90.496.1151.9-161.70000121.1
221K35.6Very low35.6Very low202 Ų202126.4 Ų126.488%0.87877%0.768SS**  trans50.1143.1136.4-72.6-172.5171.6-1730121.2
222A33.8Very low34.6Very low71 Ų71122.8 Ų122.859%0.58776%0.762SS**  cis-161.6160.1-2.800000110.8
223E33.6Very low33.8Very low178 Ų178127.5 Ų127.583%0.83276%0.763SS**  trans36.7139.3143.5-60.9174.2134.600119.9
224T32Very low33.3Very low119 Ų119129.2 Ų129.273%0.7376%0.763SS**  cis-174.8160.9-1.124.20000105.7
225T28Very low32.8Very low114 Ų114125 Ų12570%0.69976%0.756SS**  cis-159.41594.77.50000109.8
226E31.9Very low32.7Very low162 Ų162126.5 Ų126.576%0.75775%0.752SS**  16.8147.5124.4-51.9-69.9133.800119.9
227T26.3Very low32.8Very low105 Ų105126.9 Ų126.964%0.64475%0.749SS**  cis-177.5130.9-10.2-98.60000105.3
228S30Very low32.4Very low111 Ų111134 Ų13478%0.77676%0.756SS**  171155.596.636.40000111.5
229S29.4Very low32.6Very low107 Ų107133.4 Ų133.475%0.74875%0.752SS**  trans-84.6-169.4168.156.70000110.1
230P41.4Very low32.3Very low104 Ų104133.2 Ų133.268%0.67575%0.751SS**  cis-150.1-170.913.443.1-20.5000118.7
231T28.5Very low32.2Very low109 Ų109134.3 Ų134.367%0.66975%0.753SS**  trans85.7120.2144.5-59.40000121
232E35.6Very low31.8Very low174 Ų174131.4 Ų131.481%0.81375%0.747SS**  trans34.2158.9137.8-56-179.9148.900121.7
233E31Very low31.6Very low176 Ų176135.7 Ų135.782%0.82276%0.76SS**  cis-150-161.72.6-141.7-165.215800111
234L32.4Very low31.5Very low146 Ų146131 Ų13176%0.76475%0.752SS**  trans-95.1146.4-172.8-68.5162.6000115
235S27.4Very low31.7Very low113 Ų113134.4 Ų134.479%0.7976%0.759SS**  trans72.9-177.3150.975.90000118.1
236P40.3Very low32Very low109 Ų109138.3 Ų138.371%0.70877%0.767SS**  -131.8159.6-71.337.1-20.5000115.8
237V34.5Very low32.3Very low129 Ų129135.4 Ų135.478%0.78276%0.762SS**  trans46.8112.6152.9-176.60000120.6
238R28.3Very low32.6Very low239 Ų239140.1 Ų140.190%0.90277%0.773SS**  trans-178132.2137.9-101.3165.1179.2-167.60.1108
239S35.1Very low32.5Very low106 Ų106143.6 Ų143.674%0.74177%0.774SS**  cis80.481.139.6-57.40000116.1
240S30.2Very low32.5Very low105 Ų105145.3 Ų145.373%0.73478%0.775SS**  trans-170.4123.8147.6450000108.3
241N30.1Very low32Very low142 Ų142149 Ų14976%0.75978%0.781SS**  53.7129.484.3-63.1-36.7000112.7
242N28.9Very low32Very low141 Ų141150.2 Ų150.275%0.75478%0.783SS**  cis-162.4155.5-9.4-98-56.9000105.7
243D27.8Very low31.7Very low161 Ų161151.5 Ų151.586%0.86179%0.786SS**  trans-164.1170.6131.1-133.4-76.1000113.1
244A32.8Very low31.6Very low79 Ų79151.2 Ų151.265%0.65378%0.782SS**  trans-71.8166.4-173.800000112.3
245E35.3Very low31.5Very low191 Ų191150.6 Ų150.689%0.89378%0.779SS**  cis-144.7163.644.6-63.5-171.7128.100115.4
246K35.4Very low31.5Very low196 Ų196154.1 Ų154.185%0.85278%0.78SS**  trans-99.6151.1166.5-79.7176.3-179.3168.60107.6
247P37.5Very low31.1Very low101 Ų101157 Ų15766%0.65678%0.784SS**  -162.9158.171.640.8-19.1000120.7
248K32.1Very low30.8Very low203 Ų203160.5 Ų160.588%0.88379%0.792SS**  trans56.1153.2138.9-63.7163.5-166.11690119.6
249K27.8Very low30.8Very low184 Ų184155.8 Ų155.880%0.878%0.784SS**  cis170.5151.5-22.1-150.6-179.8-172.1-178.50105.3
250N30Very low30.5Very low143 Ų143157 Ų15777%0.76579%0.787SS**  trans100.9115.3167-50.1-18.6000114.4
251K30.3Very low30.4Very low182 Ų182159 Ų15979%0.79179%0.789SS**  cis86.6103.238-75.1-163.1168.8-177.70117
252N28.1Very low30.3Very low135 Ų135159.2 Ų159.272%0.72280%0.795SS**  81.9118.3127.5-58.73000121.9
253K29.6Very low30.3Very low201 Ų201161.1 Ų161.187%0.87480%0.799SS**  155.4161.6118-88.3179.1174.7178.50111.2
254K29.4Very low30.4Very low169 Ų169161.3 Ų161.374%0.73580%0.795SS**  cis-177.3130.4-34.4-178.6178.7-167.6-146.70109.5
255L30.8Very low30.1Very low134 Ų134167.6 Ų167.670%0.70281%0.807SS**  trans58.4127.7157.7-71.2172.3000122.8
256K28.1Very low29.6Very low187 Ų187163.7 Ų163.781%0.81380%0.8SS**  -169.7124.4106.8-96.6-176.6172.1-1690108
257E31.3Very low29.1Very low168 Ų168160.4 Ų160.479%0.78580%0.802SS**  57.210387.9-79.8-178.6166.800115.1
258E27.6Very low29Very low204 Ų204161.2 Ų161.295%0.95381%0.805SS**  -161.4174.8116.5-137.5175.7174.800111.7
259L29.5Very low29.1Very low140 Ų140157 Ų15773%0.73380%0.798SS**  trans-131.8128.2-159.2167.2169.7000109.6
260V28.3Very low29.4Very low132 Ų132155.1 Ų155.180%0.880%0.795SS**  trans-152.8121.5158.3-178.10000110.7
261D27.2Very low29.4Very low147 Ų147154.2 Ų154.279%0.78680%0.795SS**  trans-71.7143.5162.9-79.5-70.7000111.3
262V28.5Very low29.5Very low146 Ų146152 Ų15289%0.88579%0.791SS**  trans-116.396.9170.2-179.20000109.5
263E29.8Very low29.5Very low181 Ų181154.9 Ų154.985%0.84680%0.8SS**  trans-117.2162.1166.5-155.7169.6-13000109.6
264E29.7Very low29.5Very low165 Ų165153 Ų15377%0.77179%0.794SS**  trans-31.6149.1-166.2-60.1-177.7116.500120.5
265K26.4Very low29.5Very low210 Ų210155.2 Ų155.291%0.91380%0.804SS**  trans-154.9123.8134-110.5152.9-168.2171.40113.3
266C24.2Very low29.4Very low110 Ų110157 Ų15774%0.74381%0.809SS**  trans-75.8161.2165.6-65.30000111.9
267S25.4Very low29.3Very low126 Ų126155 Ų15588%0.88181%0.807SS**  trans-123.4138.2165.1-66.40000110.1
268V35.5Very low29.2Very low118 Ų118155 Ų15572%0.71581%0.807SS**  trans-127.8161-177.2-159.30000108.9
269P34.5Very low29.3Very low116 Ų116154.3 Ų154.375%0.75380%0.803SS**  trans-127121.9135.432.3-21.6000111.1
270I34Very low29.3Very low144 Ų144157.1 Ų157.174%0.73881%0.81SS**  69.811373.5-63.4162.8000109.6
271V28.7Very low29.2Very low123 Ų123155.5 Ų155.575%0.74581%0.81SS**  -158123.474.7165.70000113
272L32.2Very low29.1Very low135 Ų135154.1 Ų154.171%0.70781%0.811SS**  trans36.3129.9131.8-59.8159.7000123.8
273E28.2Very low29Very low197 Ų197151.4 Ų151.492%0.92180%0.798SS**  -155.7145.695.3-113.4-170.3-167.900111.5
274E30.4Very low29Very low162 Ų162151.1 Ų151.176%0.75779%0.794SS**  trans-113.4150-175.9-59.3175.9140.800111.6
275K28.9Very low28.9Very low215 Ų215151.7 Ų151.794%0.93579%0.794SS**  trans-148.2131.1140.6-73.7-156.8176.5174.70112.2
276E28.1Very low29Very low171 Ų171150 Ų15080%0.79979%0.787SS**  trans-73.7159.5174.3-55.1170.6118.600112.3
277N26.9Very low29.3Very low145 Ų145155.8 Ų155.878%0.77579%0.793SS**  -177.3125.6118-97-57.7000114.6
278E29.5Very low29.6Very low168 Ų168159 Ų15979%0.78579%0.791SS**  trans39.6135.3143.6-61-165.9149.400124.3
279E28.5Very low29.3Very low189 Ų189159.6 Ų159.688%0.88380%0.795SS**  trans-69.3139.5166.8-45.8177.6133.100113.1
280K30.5Very low29.1Very low199 Ų199158.7 Ų158.787%0.86580%0.798SS**  trans-141.5142.1148.2-71.2-165.5178.41650112.9
281A26Very low28.9Very low98 Ų98160.2 Ų160.281%0.8180%0.802SS**  trans-89.6149.6-167.600000115.4
282C24.4Very low29.1Very low119 Ų119161.4 Ų161.480%0.80480%0.802SS**  trans42.6115.2142.1-163.80000119.9
283S27.4Very low29.3Very low88 Ų88161.9 Ų161.962%0.61580%0.804SS**  172.6146.294.560.10000117.6
284K29.1Very low29.3Very low176 Ų176159.2 Ų159.277%0.76580%0.796SS**  trans66.2113142.3-71.9160.5-171.1163.80121.9
285K28.6Very low29.5Very low177 Ų177160.5 Ų160.577%0.7780%0.802SS**  95.4115.6129-70.2172.9179.6173.70121.4
286K28.6Very low29.6Very low173 Ų173157.6 Ų157.675%0.75280%0.797SS**  trans71.4115.4130.3-71.1-175.5174.4-178.30120.6
287R30.6Very low30.1Very low233 Ų233158.5 Ų158.588%0.87980%0.801SS**  trans68.9150.9148.5-61.2174.6163.4178.5-8.3113.2
288K30.4Very low30.3Very low192 Ų192159 Ų15984%0.83580%0.804SS**  cis-158.4160.930-153.9177.9-177.2-1720109.8
289T30.6Very low30.3Very low132 Ų132155.3 Ų155.381%0.8180%0.797SS**  trans-62140.6167.645.40000112.6
290A29.2Very low30.4Very low97 Ų97151.8 Ų151.880%0.80279%0.793SS**  trans-150140.2154.500000109.2
291E30.8Very low30.5Very low176 Ų176147.3 Ų147.382%0.82279%0.786SS**  trans-70.5147.6168.8-65.4160.6114.700109.9
292I31.3Very low30.6Very low147 Ų147147.4 Ų147.475%0.75479%0.787SS**  trans-129.9111.4151.4-61.1-179.4000106.5D294I292-D294 HydrophobicContact CG2-CB 4.26Å
293I37.4Very low30.7Very low145 Ų145147.2 Ų147.274%0.74479%0.786SS**  trans-90.1123155-65.8167.8000104.4
294D27.3Very low30.8Very low142 Ų142149 Ų14976%0.75979%0.793SS**  trans-140.4111.6160.7-98.7-47.8000108I292I292-D294 HydrophobicContact CG2-CB 4.26Å
295E35.3Very low30.9Very low188 Ų188147.2 Ų147.288%0.87980%0.796SS**  trans-83.7129.3159.5-68.3-173.7162.800107.5
296N30.2Very low31.2Very low154 Ų154146.3 Ų146.382%0.82480%0.795SS**  trans-143.6100.8172.3-17538.6000110.1
297E38.9Very low31.5Very low191 Ų191144.6 Ų144.689%0.89379%0.791SS**  trans-92.3123.2168.1-72.3-163.3159.400111.2
298N31.1Very low31.6Very low155 Ų155139.6 Ų139.683%0.82978%0.782SS**  trans-172.1147.5148.4-1264.6000107.6
299S29.2Very low31.5Very low91 Ų91136.1 Ų136.164%0.63678%0.78SS**  cis-164.4169.85.254.70000111.6
300S32.2Very low31.4Very low115 Ų115138.9 Ų138.980%0.80478%0.784SS**  trans74.7143.1151.6147.10000118.2
301S31.1Very low31.4Very low104 Ų104143.9 Ų143.973%0.72778%0.782SS**  cis-169.6141.1-6.8171.80000110.3
302A30Very low31.5Very low101 Ų101141.2 Ų141.284%0.83578%0.78SS**  trans-165.4144143.600000109.4
303C25.9Very low31.4Very low115 Ų115139.5 Ų139.578%0.77778%0.782SS**  trans-115.8168.5-169.246.20000112.9
304V28.3Very low31.2Very low126 Ų126139.5 Ų139.576%0.76478%0.782SS**  trans152.5139.3131.8164.80000113.6
305V32Very low31.2Very low137 Ų137138.6 Ų138.683%0.8379%0.787SS**  trans83.4134.5176.4-1490000120
306E35.8Very low31Very low159 Ų159138.8 Ų138.874%0.74379%0.785SS**  trans-94.3-174.3-173.1-47.8166.8109.300111.8
307M34.9Very low31Very low137 Ų137141.4 Ų141.468%0.67579%0.789SS**  cis-164.516711.8-148172.4-163.100112
308N31.7Very low30.5Very low127 Ų127142 Ų14268%0.67979%0.789SS**  trans74.8103.9162.4-59.2-39.8000118.3
309C27.4Very low30.7Very low119 Ų119144.3 Ų144.380%0.80479%0.791SS**  95.6139.181.7-76.80000111
310E29Very low31Very low191 Ų191145.5 Ų145.589%0.89380%0.797SS**  cis-154.1163.321.3-161.6168.1-173.500111
311R29.3Very low30.9Very low201 Ų201150.1 Ų150.176%0.75880%0.803SS**  trans-140.4135.3-179-164.2-162.9-166.7-177.410.2111.5
312P33.4Very low30.8Very low120 Ų120153.3 Ų153.378%0.77981%0.806SS**  -146.6173.2119.734.3-17.8000112.4
313S28.9Very low30.9Very low112 Ų112156 Ų15678%0.78380%0.804SS**  cis-160.4-178.4-30.462.70000107.8
314L33.1Very low31.1Very low144 Ų144157.2 Ų157.275%0.75480%0.799SS**  trans-96.2149.8-163.8-64.1160.1000114.4
315S27.5Very low31.5Very low124 Ų124160.7 Ų160.787%0.86780%0.803SS**  trans-155.9150.2133.8670000113.3
316K31Very low31.5Very low192 Ų192162.1 Ų162.184%0.83580%0.801SS**  trans-109.2146.9-176.7-58.9171.11791750110.3
317K30.3Very low31.3Very low208 Ų208162.1 Ų162.190%0.90481%0.805SS**  trans-175.8128.1137.4-100.9151.6-171.21790115.8
318K29.4Very low31.2Very low205 Ų205163 Ų16389%0.89181%0.811SS**  trans16.2132.4148.5-57.4-177.9177.7-177.10121.8
319K33.4Very low31.1Very low202 Ų202164.1 Ų164.188%0.87882%0.817SS**  trans-72-179.8157.1-60.6-170.9177.6-174.50111.6
320P37.2Very low31.3Very low116 Ų116164.6 Ų164.675%0.75382%0.816SS**  cis-130.7167.8-4.540.2-24.8000115.3
321K28.3Very low31.4Very low213 Ų213162.6 Ų162.693%0.92681%0.811SS**  trans-141.1156.1156.8-80.1-163.2177.8-178.20112.6
322H29.5Very low31.6Very low170 Ų170162.3 Ų162.379%0.78782%0.819SS**  trans-92.7129.7-172.7179.7-76000110.4
323I32.7Very low31.5Very low158 Ų158160.2 Ų160.281%0.8182%0.819SS**  trans-145.897171.5-56.2179.2000104.1
324E29.8Very low31.7Very low141 Ų141164.2 Ų164.266%0.65983%0.826SS**  63.2114.575.5-165.7158.7-162.100112.9
325K36.6Very low31.7Very low198 Ų198167 Ų16786%0.86184%0.835SS**  trans-84.2128.2178.7-61.3175.6180-1800108.3
326Q32.6Very low31.9Very low168 Ų168165.3 Ų165.379%0.78583%0.828SS**  trans-122.5127.3157.8-68.3-170.12.500108.8
327L31.7Very low32Very low159 Ų159165.2 Ų165.283%0.83283%0.831SS**  trans-75.8142170.7-67.9100.6000108.5
328I32Very low32Very low155 Ų155162.5 Ų162.580%0.79583%0.826SS**  trans-99.2110.7162.7-66.5173.6000106.6V330I328-V330 HydrophobicContact CG2-CG2 4.12Å
329N29.6Very low32Very low150 Ų150156.3 Ų156.380%0.80282%0.82SS**  trans-87.9137.8162-11228.8000108
330V32.6Very low31.9Very low129 Ų129151 Ų15178%0.78281%0.814SS**  trans-132.8136.3159177.60000107.3I328I328-V330 HydrophobicContact CG2-CG2 4.12Å
331N30.9Very low31.7Very low149 Ų149155.5 Ų155.580%0.79782%0.822SS**  trans-57.2145.7-172.6-71.8-7.6000114.3
332E32.9Very low32Very low195 Ų195153.9 Ų153.991%0.91182%0.817SS**  trans-107.6159.6132.4-73.4-170.4150.200109
333G30.6Very low31.8Very low77 Ų77151 Ų15179%0.79482%0.815SS**  trans-86.9-174.8-16200000116.6
334E33.5Very low31.8Very low196 Ų196151.9 Ų151.992%0.91682%0.816SS**  trans-66141-175.4-57.6160.8136.600113
335E32.7Very low31.9Very low201 Ų201153.3 Ų153.394%0.93982%0.823SS**  -158.8151.7115.5-114.1-177.5-160.900110.3
336A33.5Very low31.7Very low89 Ų89152.4 Ų152.474%0.73682%0.821SS**  trans-115.7140.6-171.500000111.5
337H32.6Very low31.8Very low191 Ų191152.5 Ų152.588%0.88483%0.826SS**  trans-154.9143.4139.4-127.2-78.5000114.5
338D30Very low31.9Very low151 Ų151150.8 Ų150.881%0.80782%0.822SS**  trans-38.1158.6178.4-123.4-48.9000119.5
339G29.9Very low32Very low74 Ų74149.3 Ų149.376%0.76382%0.82SS**  trans153.656167.200000117.7
340A31.1Very low32.3Very low91 Ų91151.8 Ų151.875%0.75282%0.824SS**  trans-67.2143.5179.500000114.7
341K33.7Very low32.4Very low210 Ų210156 Ų15691%0.91383%0.832SS**  trans-158.6138137.6-113.4167.7-171.8176.20112
342E32.8Very low32.5Very low179 Ų179154.5 Ų154.584%0.83683%0.833SS**  trans-94.4179.8-167.7-60.1168.411700113.3
343C27.1Very low32.7Very low109 Ų109155.5 Ų155.574%0.73684%0.835SS**  trans82.6137.3156.4-55.50000119.4
344E32.2Very low32.8Very low177 Ų177161.8 Ų161.883%0.82784%0.84SS**  cis-156.3177.6-25.9-124.7-166.3-165.600109.8
345E31.1Very low33.2Very low172 Ų172162.6 Ų162.680%0.80484%0.84SS**  trans-58.6153.5-179.4-49.4-176.5134.200114.9
346E33.1Very low33.4Very low178 Ų178162.5 Ų162.583%0.83284%0.837SS**  -159.6138.4110.5-124.5-163171.300113.4
347L34.1Very low33.5Very low171 Ų171170 Ų17090%0.89585%0.846SS**  trans-113.1116.5172.9-85.9166.6000109.8
348V35.1Very low34Very low123 Ų123169 Ų16975%0.74584%0.839SS**  trans-128.8150.4170-173.90000112.6
349T32.8Very low34.4Very low123 Ų123172.9 Ų172.976%0.75584%0.843SS**  trans-109.5151.5-146.854.70000116.8
350K36.9Very low35.1Very low202 Ų202176.9 Ų176.988%0.87884%0.842SS**  trans-9.4133.6157.1-57.7166.9-177.6167.30117.7
351K33.8Very low35.3Very low217 Ų217179.7 Ų179.794%0.94384%0.844SS**  trans-140.1132.8134.8-75.2-169178.9160.70112.5
352S32.1Very low35.9Very low119 Ų119178.2 Ų178.283%0.83284%0.84SS**  trans-99.2149.2168.860.20000110.3
353K38.6Very low36.6Very low216 Ų216180.7 Ų180.794%0.93986%0.859SS**  trans-144.9121.3167.7-127.2171.7-174.3176.40113.6
354K32.9Very low37Very low209 Ų209184.3 Ų184.391%0.90987%0.865SS**  trans-77.6124.6179.7178-180-176174.80109.9
355K40.3Very low37.3Very low212 Ų212184.7 Ų184.792%0.92287%0.868SS**  trans-108127.8173.2-150.1171.2-174.2179.20111.1
356K37.7Very low37.6Very low199 Ų199185.4 Ų185.487%0.86587%0.871SS**  trans-97.2139-172.8-177.1-179.9177.2-176.30109.6
357R35.9Very low37.9Very low246 Ų246185.8 Ų185.893%0.92887%0.873SS**  trans-70.9140.1173.3-61.1169.485.9172.26.6109.8
358K43.3Very low38.1Very low171 Ų171186.8 Ų186.874%0.74387%0.872SS**  trans-125.1142.6159.8-159.5-163.4174.4-1470107.4E360K358-E360 IonicContact NZ-OE1 3.17Å; K358-E360 PolarHBondContact NZ-OE1 2.94Å
359R37.4Very low38.3Very low233 Ų233191 Ų19188%0.87988%0.88SS**  trans-90.9151.8168.2-68.6174.5172.5166.1-6108.2
360E44.7Very low38.7Very low158 Ų158195.9 Ų195.974%0.73889%0.889SS**  trans-139.5138.9159.8-145.1120.1-114.200106.7K358K358-E360 IonicContact NZ-OE1 3.17Å; K358-E360 PolarHBondContact NZ-OE1 2.94Å
361N35.6Very low38.9Very low149 Ų149195.4 Ų195.480%0.79789%0.89SS**  trans-90.2150.7171.9-62.6-14000108
362Q46.1Very low39.3Very low179 Ų179193.6 Ų193.684%0.83689%0.886SS**  trans-136.9125.3147.6-74.1-170.2-43.800108.3
363D47.1Very low40Very low232 Ų232200.4 Ų200.4100%1.24189%0.891SS**  trans360152.5-48.6-24.4000120.1

Retrieved 363 of 363 residues in 413.8 ms (Link to these results)