A0A096NLQ5_PAPAN Loading...

Zinc finger CCCH-type containing 7A

AlphaFold DB (H9ETJ2), UniProt , Accession A0A096NLQ5, Species PAPAN (Papio anubis, Olive baboon), Gene ZC3H7A, Length 971 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
1M36.1Very low73.1Confident244 Ų244111.8 Ų111.8100%1.20258%0.576SS**  0115.30-66.5-52.5-175.900108
2S44.8Very low74.7Confident114 Ų114108.3 Ų108.380%0.79756%0.555SS**  trans-79.5135.9175.3-170.80000109.5V4S2-V4 PolarHBondContact O-N 3.47Å; S2-V4 VanDerWaalsContact O-N 3.07Å
3S50.4Low76.2Confident109 Ų109107 Ų10776%0.76255%0.545SS*.  trans-76.593.1176.753.70000110S5S3-S5 PolarHBondContact O-N 3.41Å
4V63.9Low77.3Confident51 Ų51103.9 Ų103.931%0.30953%0.531SS..  trans-53.4124.2173.2-176.80000108.9S2 E6 R8 R9S2-V4 PolarHBondContact O-N 3.47Å; S2-V4 VanDerWaalsContact O-N 3.07Å; V4-E6 PolarHBondContact O-N 2.92Å; V4-R8 HydrophobicContact CG1-CB 3.96Å; V4-R8 HydrophobicContact CG1-CG 3.96Å; V4-R9 HydrophobicContact CB-CG 4.23Å; V4-R9 HydrophobicContact CG1-CG 3.92Å; V4-R9 PolarHBondContact O-NE 3.03Å; V4-R9 PolarHBondContact O-NH2 3.41Å
5S79.6Confident78.4Confident69 Ų6997.6 Ų97.648%0.48350%0.498SS..  trans-49.5140.1179.2177.60000110.7S3 E7 R8 R9S3-S5 PolarHBondContact O-N 3.41Å; S5-E7 PolarHBondContact O-N 3.28Å; S5-E7 PolarHBondContact OG-N 3.47Å; S5-R8 PolarHBondContact O-N 3.06Å; S5-R9 PolarHBondContact O-N 3.48Å
6E82.1Confident79.4Confident151 Ų15199.7 Ų99.771%0.70650%0.503SS*.Hα-helixtrans-58.2-35.7177.7-172.6169.1-178.300111.5V4 R9 K10V4-E6 PolarHBondContact O-N 2.92Å; E6-R9 PolarHBondContact O-N 3.01Å; E6-K10 WeakPolarHBondContact O-CB 3.47Å; E6-K10 PolarHBondContact O-N 2.87Å
7E83.9Confident80.1Confident153 Ų15399.6 Ų99.672%0.71550%0.5SS*.Hα-helixtrans-65.2-38.8173.9-172.6169-150.400112.6S5 K10 R11S5-E7 PolarHBondContact O-N 3.28Å; S5-E7 PolarHBondContact OG-N 3.47Å; E7-K10 PolarHBondContact O-N 3.43Å; E7-R11 WeakPolarHBondContact O-CB 3.16Å; E7-R11 PolarHBondContact O-N 2.72Å
8R89.4Confident80.8Confident28 Ų2894.1 Ų94.111%0.10647%0.473CS..Hα-helixtrans-70.8-40.5174.6-177.1171.5175.3-153.9-1.3111.7V4 S5 K10 R11 Q12 E49 D52 E56V4-R8 HydrophobicContact CG1-CB 3.96Å; V4-R8 HydrophobicContact CG1-CG 3.96Å; S5-R8 PolarHBondContact O-N 3.06Å; R8-K10 VanDerWaalsContact C-N 3.33Å; R8-K10 PolarHBondContact O-N 2.93Å; R8-R11 WeakPolarHBondContact O-CB 3.49Å; R8-R11 PolarHBondContact O-N 3.04Å; R8-Q12 HydrophobicContact CG-CG 4.44Å; R8-Q12 VanDerWaalsContact O-CG 3.31Å; R8-Q12 WeakPolarHBondContact O-CG 3.45Å; R8-Q12 PolarHBondContact O-N 2.7Å; R8-E49 WeakPolarHBondContact CG-OE2 3.15Å; R8-E49 IonicContact CZ-OE1 3.33Å; R8-E49 VanDerWaalsContact CZ-OE1 3.22Å; R8-E49 IonicContact NE-OE1 3.33Å; R8-E49 PolarHBondContact NE-OE1 3.4Å; R8-E49 IonicContact NE-OE2 2.8Å; R8-E49 PolarHBondContact NE-OE2 3.25Å; R8-E49 IonicContact NH2-OE1 3.4Å; R8-E49 PolarHBondContact NH2-OE1 2.78Å; R8-D52 WeakPolarHBondContact CD-OD2 3.29Å; R8-D52 IonicContact NE-OD2 2.77Å; R8-E56 IonicContact CZ-OE1 3.71Å; R8-E56 IonicContact CZ-OE2 3.97Å; R8-E56 IonicContact NH1-OE1 3.47Å; R8-E56 PolarHBondContact NH1-OE1 3.07Å; R8-E56 IonicContact NH1-OE2 3.4Å; R8-E56 PolarHBondContact NH1-OE2 3.41Å; R8-E56 VanDerWaalsContact NH1-OE2 3.15Å; R8-E56 IonicContact NH2-OE1 2.72Å; R8-E56 IonicContact NH2-OE2 3.63Å; R8-E56 PolarHBondContact NH2-OE2 3.21Å
9R90Very high81.3Confident135 Ų13591.1 Ų91.151%0.50946%0.458SS..Hα-helixtrans-59.4-43.3172.1-87.4179.2-79.5140.3-2.4111.8V4 S5 E6 Q12 Q13V4-R9 HydrophobicContact CB-CG 4.23Å; V4-R9 HydrophobicContact CG1-CG 3.92Å; V4-R9 PolarHBondContact O-NE 3.03Å; V4-R9 PolarHBondContact O-NH2 3.41Å; S5-R9 PolarHBondContact O-N 3.48Å; E6-R9 PolarHBondContact O-N 3.01Å; R9-Q12 PolarHBondContact O-N 3.34Å; R9-Q13 PolarHBondContact O-N 2.93Å
10K91.1Very high81.8Confident141 Ų14193.2 Ų93.261%0.61347%0.466SS*.Hα-helixtrans-62.7-42.4173.7-171.2173.2-176175.10111.7E6 E7 R8 Q13 N14E6-K10 WeakPolarHBondContact O-CB 3.47Å; E6-K10 PolarHBondContact O-N 2.87Å; E7-K10 PolarHBondContact O-N 3.43Å; R8-K10 VanDerWaalsContact C-N 3.33Å; R8-K10 PolarHBondContact O-N 2.93Å; K10-Q13 PolarHBondContact O-N 2.73Å; K10-N14 WeakPolarHBondContact O-CB 3.48Å; K10-N14 PolarHBondContact O-N 3.24Å; K10-N14 PolarHBondContact O-OD1 3.47Å
11R93.3Very high82.2Confident35 Ų3590.6 Ų90.613%0.13245%0.452CS..Hα-helixtrans-59.5-47.7174.9-161.8-156.9-53.4146.2-10.6111.9E7 R8 Q13 N14 I15 N45 N48 E49 D52E7-R11 WeakPolarHBondContact O-CB 3.16Å; E7-R11 PolarHBondContact O-N 2.72Å; R8-R11 WeakPolarHBondContact O-CB 3.49Å; R8-R11 PolarHBondContact O-N 3.04Å; R11-Q13 PolarHBondContact O-N 2.95Å; R11-N14 PolarHBondContact O-N 3.32Å; R11-I15 HydrophobicContact CG-CD1 4.26Å; R11-I15 VanDerWaalsContact O-CG1 3.25Å; R11-I15 WeakPolarHBondContact O-CG1 3.38Å; R11-I15 PolarHBondContact O-N 2.9Å; R11-N45 WeakPolarHBondContact CD-O 3.25Å; R11-N45 HydrophobicContact CG-CB 3.86Å; R11-N48 PolarHBondContact NH1-O 2.95Å; R11-E49 IonicContact CZ-OE2 2.82Å; R11-E49 IonicContact NH1-OE2 2.74Å; R11-E49 PolarHBondContact NH1-OE2 3.08Å; R11-D52 IonicContact CZ-OD2 2.78Å; R11-D52 VanDerWaalsContact CZ-OD2 3.24Å; R11-D52 IonicContact NH1-OD2 2.71Å; R11-D52 PolarHBondContact NH1-OD2 3.2Å; R11-D52 IonicContact NH2-OD2 3.73Å; R11-D52 PolarHBondContact NH2-OD2 3.41Å
12Q92.3Very high84.8Confident70 Ų7081 Ų8133%0.32741%0.405SS..Hα-helixtrans-61.4-40.7177.8-71.8170-17.500112.2R8 R9 I15 K16 E49R8-Q12 HydrophobicContact CG-CG 4.44Å; R8-Q12 VanDerWaalsContact O-CG 3.31Å; R8-Q12 WeakPolarHBondContact O-CG 3.45Å; R8-Q12 PolarHBondContact O-N 2.7Å; R9-Q12 PolarHBondContact O-N 3.34Å; Q12-I15 PolarHBondContact O-N 2.99Å; Q12-K16 PolarHBondContact O-N 3.43Å; Q12-E49 HydrophobicContact CG-CG 4.41Å; Q12-E49 PolarHBondContact NE2-OE1 3.19Å
13Q93.2Very high86.7Confident91 Ų9182.8 Ų82.843%0.42540%0.401SS..Hα-helixtrans-65.2-47.1174.1-176.562.919.200111.6R9 K10 R11 I15 K16 E17R9-Q13 PolarHBondContact O-N 2.93Å; K10-Q13 PolarHBondContact O-N 2.73Å; R11-Q13 PolarHBondContact O-N 2.95Å; Q13-I15 VanDerWaalsContact C-N 3.26Å; Q13-I15 PolarHBondContact O-N 3.29Å; Q13-K16 PolarHBondContact O-N 3.04Å; Q13-K16 VanDerWaalsContact O-N 3.13Å; Q13-E17 WeakPolarHBondContact CG-OE1 3.41Å; Q13-E17 PolarHBondContact NE2-OE1 2.74Å; Q13-E17 WeakPolarHBondContact O-CG 3.31Å; Q13-E17 PolarHBondContact O-N 3.25Å
14N92.6Very high88.5Confident64 Ų6479.6 Ų79.634%0.34238%0.379SS..Hα-helixtrans-58.7-36.6175.6-64.8-7.2000112.4K10 R11 G18K10-N14 WeakPolarHBondContact O-CB 3.48Å; K10-N14 PolarHBondContact O-N 3.24Å; K10-N14 PolarHBondContact O-OD1 3.47Å; R11-N14 PolarHBondContact O-N 3.32Å; N14-G18 PolarHBondContact O-N 3.05Å
15I93.7Very high89.2Confident9 Ų983.7 Ų83.75%0.04641%0.406CS..Hα-helixtrans-65-49.6174.6-70.4163.1000110R11 Q12 Q13 E17 G18 L19 L42 N45 L46 E49R11-I15 HydrophobicContact CG-CD1 4.26Å; R11-I15 VanDerWaalsContact O-CG1 3.25Å; R11-I15 WeakPolarHBondContact O-CG1 3.38Å; R11-I15 PolarHBondContact O-N 2.9Å; Q12-I15 PolarHBondContact O-N 2.99Å; Q13-I15 VanDerWaalsContact C-N 3.26Å; Q13-I15 PolarHBondContact O-N 3.29Å; I15-E17 PolarHBondContact O-N 3.12Å; I15-G18 WeakPolarHBondContact O-CA 3.47Å; I15-G18 PolarHBondContact O-N 3.23Å; I15-G18 VanDerWaalsContact O-N 3.1Å; I15-L19 HydrophobicContact CG2-CD1 3.99Å; I15-L19 HydrophobicContact CG2-CG 4.27Å; I15-L19 WeakPolarHBondContact O-CG 3.39Å; I15-L19 PolarHBondContact O-N 2.93Å; I15-L42 HydrophobicContact CB-CD1 4.49Å; I15-L42 HydrophobicContact CG1-CD1 4.43Å; I15-N45 HydrophobicContact CD1-CB 4.05Å; I15-N45 HydrophobicContact CG1-CB 3.66Å; I15-L46 HydrophobicContact CD1-CD2 4.37Å; I15-L46 HydrophobicContact CD1-CG 4.48Å; I15-L46 HydrophobicContact CG1-CD2 4.37Å; I15-L46 HydrophobicContact CG1-CG 4.26Å; I15-L46 HydrophobicContact CG2-CD2 3.48Å; I15-L46 VanDerWaalsContact CG2-CD2 3.48Å; I15-L46 HydrophobicContact CG2-CG 4.06Å; I15-E49 HydrophobicContact CD1-CB 3.71Å; I15-E49 HydrophobicContact CD1-CG 4.14Å
16K93.9Very high89.2Confident131 Ų13186 Ų8657%0.5741%0.413SS*.Hα-helixtrans-59.3-45.4-179.6-176.1-177.2175.6-1740112.1Q12 Q13 G18 Q20Q12-K16 PolarHBondContact O-N 3.43Å; Q13-K16 PolarHBondContact O-N 3.04Å; Q13-K16 VanDerWaalsContact O-N 3.13Å; K16-G18 VanDerWaalsContact C-N 3.33Å; K16-Q20 VanDerWaalsContact O-CB 3.31Å; K16-Q20 WeakPolarHBondContact O-CB 3.33Å; K16-Q20 PolarHBondContact O-N 2.91Å
17E91.9Very high89Confident98 Ų9884 Ų8446%0.45842%0.415SS..Hα-helixtrans-63.3-39.3174.3-70.6171.2-172.100111.6Q13 I15 Q20 F21Q13-E17 WeakPolarHBondContact CG-OE1 3.41Å; Q13-E17 PolarHBondContact NE2-OE1 2.74Å; Q13-E17 WeakPolarHBondContact O-CG 3.31Å; Q13-E17 PolarHBondContact O-N 3.25Å; I15-E17 PolarHBondContact O-N 3.12Å; E17-Q20 PolarHBondContact O-N 3.34Å; E17-F21 WeakPolarHBondContact O-CB 3.18Å; E17-F21 PolarHBondContact O-N 3.16Å
18G91.6Very high89Confident1 Ų179.8 Ų79.81%0.0139%0.393CS..Hα-helixtrans-61.7-48175.500000114.4N14 I15 K16 F21 I22 Y38N14-G18 PolarHBondContact O-N 3.05Å; I15-G18 WeakPolarHBondContact O-CA 3.47Å; I15-G18 PolarHBondContact O-N 3.23Å; I15-G18 VanDerWaalsContact O-N 3.1Å; K16-G18 VanDerWaalsContact C-N 3.33Å; G18-F21 PolarHBondContact O-N 3.47Å; G18-I22 PolarHBondContact O-N 2.87Å; G18-Y38 WeakPolarHBondContact CA-OH 3.37Å
19L91.9Very high88.5Confident37 Ų3784.2 Ų84.219%0.19443%0.426CS..Hα-helixtrans-66.2-41.6177-63179.2000111.4I15 F21 I22 Q23 L46 E68 I72I15-L19 HydrophobicContact CG2-CD1 3.99Å; I15-L19 HydrophobicContact CG2-CG 4.27Å; I15-L19 WeakPolarHBondContact O-CG 3.39Å; I15-L19 PolarHBondContact O-N 2.93Å; L19-F21 VanDerWaalsContact C-N 3.28Å; L19-F21 PolarHBondContact O-N 3.29Å; L19-I22 PolarHBondContact O-N 3.23Å; L19-Q23 WeakPolarHBondContact O-CB 3.44Å; L19-Q23 VanDerWaalsContact O-CG 3.29Å; L19-Q23 WeakPolarHBondContact O-CG 3.31Å; L19-Q23 PolarHBondContact O-N 3.32Å; L19-L46 HydrophobicContact CD2-CD1 4.46Å; L19-E68 HydrophobicContact CD1-CG 4.31Å; L19-E68 HydrophobicContact CD2-CG 3.62Å; L19-I72 HydrophobicContact CD2-CD1 3.62Å
20Q91.3Very high88.3Confident132 Ų13279.6 Ų79.662%0.61742%0.42SS*.Hα-helixtrans-65-32.1176.1-174.2173.5-4.500112.3K16 E17 S24K16-Q20 VanDerWaalsContact O-CB 3.31Å; K16-Q20 WeakPolarHBondContact O-CB 3.33Å; K16-Q20 PolarHBondContact O-N 2.91Å; E17-Q20 PolarHBondContact O-N 3.34Å; Q20-S24 PolarHBondContact O-N 3.01Å
21F90.1Very high88.2Confident40 Ų4076 Ų7618%0.17541%0.41CS..Hα-helixtrans-69.1-47.9172.7177.6-92.5000112E17 G18 L19 Q23 S24 L26 Y28 Y35 Y38E17-F21 WeakPolarHBondContact O-CB 3.18Å; E17-F21 PolarHBondContact O-N 3.16Å; G18-F21 PolarHBondContact O-N 3.47Å; L19-F21 VanDerWaalsContact C-N 3.28Å; L19-F21 PolarHBondContact O-N 3.29Å; F21-Q23 PolarHBondContact O-N 3.48Å; F21-S24 WeakPolarHBondContact O-CA 3.23Å; F21-S24 WeakPolarHBondContact O-CB 3.5Å; F21-S24 PolarHBondContact O-N 3.13Å; F21-L26 WeakPolarHBondContact CZ-O 3.44Å; F21-Y28 HydrophobicContact CE1-CD2 4Å; F21-Y28 HydrophobicContact CE2-CD2 4.48Å; F21-Y28 AromaticContact CZ-CD2 3.85Å; F21-Y28 HydrophobicContact CZ-CD2 3.85Å; F21-Y28 HydrophobicContact CZ-CG 4.36Å; F21-Y35 AromaticContact CE1-CE2 3.84Å; F21-Y35 HydrophobicContact CE1-CE2 3.84Å; F21-Y38 WeakPolarHBondContact CB-OH 3.43Å; F21-Y38 AromaticContact CD1-CE1 3.8Å; F21-Y38 HydrophobicContact CD1-CE1 3.8Å; F21-Y38 HydrophobicContact CE1-CE1 4.41Å; F21-Y38 HydrophobicContact CG-CE1 4.43Å
22I88.9Confident87.8Confident41 Ų4179.6 Ų79.621%0.2143%0.428CS..Hα-helixtrans-63.1-30.1178.9-69.6176.8000112G18 L19 S24 L39 L42 I72 Y75G18-I22 PolarHBondContact O-N 2.87Å; L19-I22 PolarHBondContact O-N 3.23Å; I22-S24 PolarHBondContact O-N 3.01Å; I22-L39 HydrophobicContact CD1-CD2 3.8Å; I22-L39 HydrophobicContact CG1-CD2 4.34Å; I22-L42 HydrophobicContact CD1-CD2 3.6Å; I22-L42 HydrophobicContact CG1-CD2 4.46Å; I22-I72 HydrophobicContact CD1-CB 4.5Å; I22-I72 HydrophobicContact CD1-CD1 4.03Å; I22-I72 HydrophobicContact CD1-CG1 3.9Å; I22-I72 HydrophobicContact CD1-CG2 3.85Å; I22-Y75 HydrophobicContact CD1-CD1 4.32Å; I22-Y75 HydrophobicContact CD1-CE1 4.44Å; I22-Y75 HydrophobicContact CG1-CE1 4.29Å; I22-Y75 HydrophobicContact CG2-CD1 4.13Å; I22-Y75 HydrophobicContact CG2-CE1 4.08Å
23Q86.3Confident87.6Confident152 Ų15283.7 Ų83.771%0.7145%0.448SS*.THydrogen-bonded Turntrans-79.90.7173.9-67.21729.800113.7L19 F21L19-Q23 WeakPolarHBondContact O-CB 3.44Å; L19-Q23 VanDerWaalsContact O-CG 3.29Å; L19-Q23 WeakPolarHBondContact O-CG 3.31Å; L19-Q23 PolarHBondContact O-N 3.32Å; F21-Q23 PolarHBondContact O-N 3.48Å
24S86.6Confident87.4Confident43 Ų4384.1 Ų84.130%0.30145%0.45SS..SBendtrans-99.7140.4-177.7-161.20000111.7Q20 F21 I22 L26Q20-S24 PolarHBondContact O-N 3.01Å; F21-S24 WeakPolarHBondContact O-CA 3.23Å; F21-S24 WeakPolarHBondContact O-CB 3.5Å; F21-S24 PolarHBondContact O-N 3.13Å; I22-S24 PolarHBondContact O-N 3.01Å; S24-L26 PolarHBondContact O-N 3.41Å; S24-L26 WeakPolarHBondContact OG-CG 3.33Å
25P78.7Confident87.3Confident136 Ų13681.8 Ų81.888%0.88344%0.436SS*.  trans-76.618.117334.9-37.9000113.3
26L80Confident87.1Confident119 Ų11982.4 Ų82.462%0.62344%0.443SS*.PPolyproline II helixtrans-93.8127.2-176.4-66176.5000110.9F21 S24F21-L26 WeakPolarHBondContact CZ-O 3.44Å; S24-L26 PolarHBondContact O-N 3.41Å; S24-L26 WeakPolarHBondContact OG-CG 3.33Å
27S78Confident87Confident108 Ų10881 Ų8176%0.75545%0.445SS*.PPolyproline II helixtrans-58.6140.3173.555.80000112.2
28Y84.6Confident87Confident64 Ų6479.3 Ų79.325%0.25144%0.435SS..PPolyproline II helixtrans-61.6129.4176.7-174.2-98.2000111.5F21 G30 Q34 Y35 Y38F21-Y28 HydrophobicContact CE1-CD2 4Å; F21-Y28 HydrophobicContact CE2-CD2 4.48Å; F21-Y28 AromaticContact CZ-CD2 3.85Å; F21-Y28 HydrophobicContact CZ-CD2 3.85Å; F21-Y28 HydrophobicContact CZ-CG 4.36Å; Y28-G30 PolarHBondContact O-N 3.01Å; Y28-Q34 HydrophobicContact CE1-CB 3.92Å; Y28-Q34 PolarHBondContact OH-O 3.36Å; Y28-Y35 HydrophobicContact CD1-CD2 4.1Å; Y28-Y35 HydrophobicContact CD1-CG 4.13Å; Y28-Y35 AromaticContact CD2-CD2 3.47Å; Y28-Y35 HydrophobicContact CD2-CD2 3.47Å; Y28-Y35 VanDerWaalsContact CD2-CD2 3.47Å; Y28-Y35 HydrophobicContact CD2-CE2 4.06Å; Y28-Y35 HydrophobicContact CD2-CG 4.31Å; Y28-Y35 HydrophobicContact CE2-CD2 4.02Å; Y28-Y35 AromaticContact CG-CD2 3.5Å; Y28-Y35 HydrophobicContact CG-CD2 3.5Å; Y28-Y35 HydrophobicContact CG-CE2 4.25Å; Y28-Y35 AromaticContact CG-CG 3.91Å; Y28-Y35 HydrophobicContact CG-CG 3.91Å; Y28-Y38 HydrophobicContact CD2-CD1 4.49Å; Y28-Y38 HydrophobicContact CE2-CD1 4Å; Y28-Y38 HydrophobicContact CE2-CD2 4.01Å; Y28-Y38 HydrophobicContact CE2-CE1 4.44Å; Y28-Y38 HydrophobicContact CE2-CE2 4.44Å; Y28-Y38 AromaticContact CE2-CG 3.75Å; Y28-Y38 HydrophobicContact CE2-CG 3.75Å
29P78Confident87.1Confident122 Ų12279.3 Ų79.379%0.79243%0.434SS*.SBendtrans-83.648-17235.5-38.1000113
30G85.9Confident87.1Confident38 Ų3880.1 Ų80.139%0.39244%0.437SS..SBendtrans-164.6-171.8-175.300000113.2Y28 Q34Y28-G30 PolarHBondContact O-N 3.01Å; G30-Q34 VanDerWaalsContact CA-OE1 3.26Å
31T88.7Confident87.2Confident66 Ų6675.1 Ų75.141%0.40542%0.418SS..  trans-76.5159.1177.269.40000112E33 Q34 Y35T31-E33 PolarHBondContact O-N 3.47Å; T31-Q34 WeakPolarHBondContact O-CA 3.46Å; T31-Q34 WeakPolarHBondContact O-CB 3.39Å; T31-Q34 PolarHBondContact O-N 3.4Å; T31-Q34 WeakPolarHBondContact OG1-CG 3.49Å; T31-Q34 PolarHBondContact OG1-N 3.18Å; T31-Y35 PolarHBondContact O-N 3Å
32Q85.6Confident87.4Confident109 Ų10973.4 Ų73.451%0.50941%0.411SS..Hα-helixtrans-56.9-33.3175.6-169.368.4-8.200112.2Y35 A36 E79Q32-Y35 PolarHBondContact O-N 2.93Å; Q32-A36 WeakPolarHBondContact O-CB 3.47Å; Q32-A36 PolarHBondContact O-N 3.46Å; Q32-E79 PolarHBondContact NE2-O 3.33Å
33E87.5Confident87.7Confident156 Ų15671.5 Ų71.573%0.72940%0.401SS*.Hα-helixtrans-65.3-43.2174.4-56.6171148.800111.8T31 Y35 A36 V37T31-E33 PolarHBondContact O-N 3.47Å; E33-Y35 VanDerWaalsContact C-N 3.32Å; E33-A36 PolarHBondContact O-N 3.27Å; E33-V37 WeakPolarHBondContact O-CG2 3.31Å; E33-V37 PolarHBondContact O-N 3.3Å
34Q89.3Confident88Confident101 Ų10166.3 Ų66.347%0.47238%0.375SS..Hα-helixtrans-66.4-36.3175.3-68.8168.1-10.900111.3Y28 G30 T31 V37 Y38Y28-Q34 HydrophobicContact CE1-CB 3.92Å; Y28-Q34 PolarHBondContact OH-O 3.36Å; G30-Q34 VanDerWaalsContact CA-OE1 3.26Å; T31-Q34 WeakPolarHBondContact O-CA 3.46Å; T31-Q34 WeakPolarHBondContact O-CB 3.39Å; T31-Q34 PolarHBondContact O-N 3.4Å; T31-Q34 WeakPolarHBondContact OG1-CG 3.49Å; T31-Q34 PolarHBondContact OG1-N 3.18Å; Q34-V37 PolarHBondContact O-N 2.98Å; Q34-Y38 WeakPolarHBondContact O-CB 3.46Å; Q34-Y38 PolarHBondContact O-N 3.1Å
35Y90.3Very high88.4Confident14 Ų1465.7 Ų65.76%0.05537%0.368CS..Hα-helixtrans-67.2-42.1175.4-173.4-139.7000112F21 Y28 T31 Q32 E33 V37 Y38 L39 Y75 E79 I81F21-Y35 AromaticContact CE1-CE2 3.84Å; F21-Y35 HydrophobicContact CE1-CE2 3.84Å; Y28-Y35 HydrophobicContact CD1-CD2 4.1Å; Y28-Y35 HydrophobicContact CD1-CG 4.13Å; Y28-Y35 AromaticContact CD2-CD2 3.47Å; Y28-Y35 HydrophobicContact CD2-CD2 3.47Å; Y28-Y35 VanDerWaalsContact CD2-CD2 3.47Å; Y28-Y35 HydrophobicContact CD2-CE2 4.06Å; Y28-Y35 HydrophobicContact CD2-CG 4.31Å; Y28-Y35 HydrophobicContact CE2-CD2 4.02Å; Y28-Y35 AromaticContact CG-CD2 3.5Å; Y28-Y35 HydrophobicContact CG-CD2 3.5Å; Y28-Y35 HydrophobicContact CG-CE2 4.25Å; Y28-Y35 AromaticContact CG-CG 3.91Å; Y28-Y35 HydrophobicContact CG-CG 3.91Å; T31-Y35 PolarHBondContact O-N 3Å; Q32-Y35 PolarHBondContact O-N 2.93Å; E33-Y35 VanDerWaalsContact C-N 3.32Å; Y35-V37 PolarHBondContact O-N 3.37Å; Y35-Y38 HydrophobicContact CD2-CD1 4.24Å; Y35-Y38 HydrophobicContact CE2-CD1 4.34Å; Y35-Y38 WeakPolarHBondContact O-CB 3.43Å; Y35-Y38 PolarHBondContact O-N 2.95Å; Y35-L39 HydrophobicContact CD2-CG 4.27Å; Y35-L39 HydrophobicContact CE1-CD1 4.12Å; Y35-L39 HydrophobicContact CE2-CD1 4.16Å; Y35-L39 HydrophobicContact CE2-CD2 3.97Å; Y35-L39 HydrophobicContact CE2-CG 3.96Å; Y35-L39 PolarHBondContact O-N 2.92Å; Y35-Y75 WeakPolarHBondContact OH-CE1 3.39Å; Y35-Y75 PolarHBondContact OH-OH 3.37Å; Y35-E79 HydrophobicContact CE1-CG 4.41Å; Y35-I81 HydrophobicContact CD1-CD1 3.63Å; Y35-I81 HydrophobicContact CE1-CD1 4.04Å; Y35-I81 HydrophobicContact CG-CD1 4.32Å
36A90Very high89.2Confident22 Ų2259.2 Ų59.218%0.18233%0.326CS..Hα-helixtrans-59.4-46.8171.800000111.9Q32 E33 Y38 L39 H40 I81Q32-A36 WeakPolarHBondContact O-CB 3.47Å; Q32-A36 PolarHBondContact O-N 3.46Å; E33-A36 PolarHBondContact O-N 3.27Å; A36-Y38 VanDerWaalsContact C-N 3.26Å; A36-Y38 PolarHBondContact O-N 3.3Å; A36-L39 PolarHBondContact O-N 3.33Å; A36-H40 WeakPolarHBondContact O-CB 3.45Å; A36-H40 PolarHBondContact O-CD2 2.97Å; A36-H40 PolarHBondContact O-N 2.84Å; A36-I81 HydrophobicContact CB-CD1 4.16Å; A36-I81 HydrophobicContact CB-CG1 4.09Å; A36-I81 HydrophobicContact CB-CG2 3.78Å
37V92.1Very high89.9Confident102 Ų10253.6 Ų53.662%0.61830%0.297SS*.Hα-helixtrans-59.6-37.2175.3169.90000111.9E33 Q34 Y35 A41E33-V37 WeakPolarHBondContact O-CG2 3.31Å; E33-V37 PolarHBondContact O-N 3.3Å; Q34-V37 PolarHBondContact O-N 2.98Å; Y35-V37 PolarHBondContact O-N 3.37Å; V37-A41 WeakPolarHBondContact O-CB 3.43Å; V37-A41 PolarHBondContact O-N 3.38Å
38Y92.5Very high90.7Very high63 Ų6349.4 Ų49.425%0.24727%0.266CS..Hα-helixtrans-66-50.4175.8176.1-94.4000112.4G18 F21 Y28 Q34 Y35 A36 H40 A41 L42G18-Y38 WeakPolarHBondContact CA-OH 3.37Å; F21-Y38 WeakPolarHBondContact CB-OH 3.43Å; F21-Y38 AromaticContact CD1-CE1 3.8Å; F21-Y38 HydrophobicContact CD1-CE1 3.8Å; F21-Y38 HydrophobicContact CE1-CE1 4.41Å; F21-Y38 HydrophobicContact CG-CE1 4.43Å; Y28-Y38 HydrophobicContact CD2-CD1 4.49Å; Y28-Y38 HydrophobicContact CE2-CD1 4Å; Y28-Y38 HydrophobicContact CE2-CD2 4.01Å; Y28-Y38 HydrophobicContact CE2-CE1 4.44Å; Y28-Y38 HydrophobicContact CE2-CE2 4.44Å; Y28-Y38 AromaticContact CE2-CG 3.75Å; Y28-Y38 HydrophobicContact CE2-CG 3.75Å; Q34-Y38 WeakPolarHBondContact O-CB 3.46Å; Q34-Y38 PolarHBondContact O-N 3.1Å; Y35-Y38 HydrophobicContact CD2-CD1 4.24Å; Y35-Y38 HydrophobicContact CE2-CD1 4.34Å; Y35-Y38 WeakPolarHBondContact O-CB 3.43Å; Y35-Y38 PolarHBondContact O-N 2.95Å; A36-Y38 VanDerWaalsContact C-N 3.26Å; A36-Y38 PolarHBondContact O-N 3.3Å; Y38-H40 PolarHBondContact O-N 3.19Å; Y38-A41 WeakPolarHBondContact O-CA 3.26Å; Y38-A41 WeakPolarHBondContact O-CB 3.47Å; Y38-A41 PolarHBondContact O-N 3.49Å; Y38-L42 PolarHBondContact O-N 3.03Å
39L92.7Very high91.2Very high0 Ų046.7 Ų46.70%026%0.256CS..Hα-helixtrans-61.9-43.1176.6-65.2-178.4000111.6I22 Y35 A36 A41 L42 V43 I72 A76 I81I22-L39 HydrophobicContact CD1-CD2 3.8Å; I22-L39 HydrophobicContact CG1-CD2 4.34Å; Y35-L39 HydrophobicContact CD2-CG 4.27Å; Y35-L39 HydrophobicContact CE1-CD1 4.12Å; Y35-L39 HydrophobicContact CE2-CD1 4.16Å; Y35-L39 HydrophobicContact CE2-CD2 3.97Å; Y35-L39 HydrophobicContact CE2-CG 3.96Å; Y35-L39 PolarHBondContact O-N 2.92Å; A36-L39 PolarHBondContact O-N 3.33Å; L39-A41 PolarHBondContact O-N 3.06Å; L39-L42 PolarHBondContact O-N 3.25Å; L39-V43 WeakPolarHBondContact O-CG2 3.41Å; L39-V43 PolarHBondContact O-N 2.82Å; L39-I72 HydrophobicContact CD2-CG2 4.29Å; L39-A76 HydrophobicContact CD1-CB 3.77Å; L39-I81 HydrophobicContact CD1-CD1 3.8Å; L39-I81 HydrophobicContact CD1-CG2 4.49Å
40H92.3Very high92Very high55 Ų5540.9 Ų40.926%0.25522%0.218SC..Hα-helixtrans-58.9-34.3172.3-82.6-127.7000112.7A36 Y38 R44 I83 P84A36-H40 WeakPolarHBondContact O-CB 3.45Å; A36-H40 PolarHBondContact O-CD2 2.97Å; A36-H40 PolarHBondContact O-N 2.84Å; Y38-H40 PolarHBondContact O-N 3.19Å; H40-R44 WeakPolarHBondContact O-CB 3.5Å; H40-R44 PolarHBondContact O-N 3.36Å; H40-I83 WeakPolarHBondContact CD2-CD1 3.33Å; H40-P84 VanDerWaalsContact CE1-CD 3.46Å; H40-P84 WeakPolarHBondContact CE1-CD 3.3Å
41A93.1Very high92.4Very high26 Ų2639.1 Ų39.122%0.21520%0.199CC..Hα-helixtrans-74.1-38.2176.300000112.3V37 Y38 L39 R44 N45V37-A41 WeakPolarHBondContact O-CB 3.43Å; V37-A41 PolarHBondContact O-N 3.38Å; Y38-A41 WeakPolarHBondContact O-CA 3.26Å; Y38-A41 WeakPolarHBondContact O-CB 3.47Å; Y38-A41 PolarHBondContact O-N 3.49Å; L39-A41 PolarHBondContact O-N 3.06Å; A41-R44 PolarHBondContact O-N 3.22Å; A41-N45 WeakPolarHBondContact O-CB 3.41Å; A41-N45 PolarHBondContact O-N 3.42Å; A41-N45 PolarHBondContact O-ND2 3.37Å; A41-N45 PolarHBondContact O-OD1 3.46Å
42L94.2Very high92.6Very high5 Ų537.3 Ų37.33%0.02619%0.187CC..Hα-helixtrans-66.9-47.1178.2-176.553.7000112.1I15 I22 Y38 L39 R44 N45 L46 I72I15-L42 HydrophobicContact CB-CD1 4.49Å; I15-L42 HydrophobicContact CG1-CD1 4.43Å; I22-L42 HydrophobicContact CD1-CD2 3.6Å; I22-L42 HydrophobicContact CG1-CD2 4.46Å; Y38-L42 PolarHBondContact O-N 3.03Å; L39-L42 PolarHBondContact O-N 3.25Å; L42-R44 VanDerWaalsContact C-N 3.3Å; L42-R44 PolarHBondContact O-N 3.43Å; L42-N45 PolarHBondContact O-N 3.29Å; L42-L46 HydrophobicContact CD1-CD1 4.27Å; L42-L46 HydrophobicContact CG-CD1 4.23Å; L42-L46 PolarHBondContact O-N 3Å; L42-I72 HydrophobicContact CD2-CD1 3.8Å; L42-I72 HydrophobicContact CG-CD1 3.88Å
43V95.5Very high93Very high1 Ų132.8 Ų32.81%0.00617%0.167CC..Hα-helixtrans-57.3-42.8173.4174.20000111.1L39 L46 F47 A69 I72 I83 I87 L91L39-V43 WeakPolarHBondContact O-CG2 3.41Å; L39-V43 PolarHBondContact O-N 2.82Å; V43-L46 PolarHBondContact O-N 3.2Å; V43-F47 WeakPolarHBondContact O-CB 3.34Å; V43-F47 PolarHBondContact O-N 3.27Å; V43-A69 HydrophobicContact CG1-CB 4.36Å; V43-I72 HydrophobicContact CG2-CB 4.09Å; V43-I72 HydrophobicContact CG2-CG2 3.68Å; V43-I83 HydrophobicContact CG2-CD1 4.49Å; V43-I87 HydrophobicContact CG1-CG2 3.93Å; V43-L91 HydrophobicContact CG1-CD1 4.1Å
44R93.3Very high93.3Very high43 Ų4326.9 Ų26.916%0.16214%0.139CC..Hα-helixtrans-64.2-41.5176.5-162.1-165.1-46.4107.410.2112.6H40 A41 L42 F47 N48 L208H40-R44 WeakPolarHBondContact O-CB 3.5Å; H40-R44 PolarHBondContact O-N 3.36Å; A41-R44 PolarHBondContact O-N 3.22Å; L42-R44 VanDerWaalsContact C-N 3.3Å; L42-R44 PolarHBondContact O-N 3.43Å; R44-F47 PolarHBondContact O-N 3.13Å; R44-N48 WeakPolarHBondContact O-CB 3.41Å; R44-N48 VanDerWaalsContact O-CG 3.3Å; R44-N48 PolarHBondContact O-N 2.91Å; R44-L208 WeakPolarHBondContact CD-O 3.42Å; R44-L208 HydrophobicContact CG-CB 3.55Å; R44-L208 HydrophobicContact CG-CD1 4.28Å
45N94.2Very high93.4Very high30 Ų3028 Ų2816%0.1614%0.138CC..Hα-helixtrans-64.8-45.5178.5-71.4-21.4000111R11 I15 A41 L42 N48 E49R11-N45 WeakPolarHBondContact CD-O 3.25Å; R11-N45 HydrophobicContact CG-CB 3.86Å; I15-N45 HydrophobicContact CD1-CB 4.05Å; I15-N45 HydrophobicContact CG1-CB 3.66Å; A41-N45 WeakPolarHBondContact O-CB 3.41Å; A41-N45 PolarHBondContact O-N 3.42Å; A41-N45 PolarHBondContact O-ND2 3.37Å; A41-N45 PolarHBondContact O-OD1 3.46Å; L42-N45 PolarHBondContact O-N 3.29Å; N45-N48 PolarHBondContact O-N 2.91Å; N45-E49 WeakPolarHBondContact O-CB 3.26Å; N45-E49 PolarHBondContact O-N 3.35Å
46L95.3Very high93.5Very high0 Ų032.6 Ų32.60%016%0.16CC..Hα-helixtrans-62.8-41.5175.9-75.8160.5000112.4I15 L19 L42 V43 E49 G50 Q65 E68 A69 I72I15-L46 HydrophobicContact CD1-CD2 4.37Å; I15-L46 HydrophobicContact CD1-CG 4.48Å; I15-L46 HydrophobicContact CG1-CD2 4.37Å; I15-L46 HydrophobicContact CG1-CG 4.26Å; I15-L46 HydrophobicContact CG2-CD2 3.48Å; I15-L46 VanDerWaalsContact CG2-CD2 3.48Å; I15-L46 HydrophobicContact CG2-CG 4.06Å; L19-L46 HydrophobicContact CD2-CD1 4.46Å; L42-L46 HydrophobicContact CD1-CD1 4.27Å; L42-L46 HydrophobicContact CG-CD1 4.23Å; L42-L46 PolarHBondContact O-N 3Å; V43-L46 PolarHBondContact O-N 3.2Å; L46-E49 PolarHBondContact O-N 3.05Å; L46-G50 PolarHBondContact O-N 3.19Å; L46-Q65 VanDerWaalsContact CD2-OE1 3.27Å; L46-E68 HydrophobicContact CD1-CG 4.4Å; L46-E68 HydrophobicContact CD2-CB 4.47Å; L46-A69 HydrophobicContact CB-CB 3.76Å; L46-A69 HydrophobicContact CD1-CB 4.33Å; L46-I72 HydrophobicContact CD1-CD1 3.38Å
47F95.6Very high93.5Very high0 Ų041 Ų410%019%0.187CC..Hα-helixtrans-58.2-49.6173-177.9-81.6000111.6V43 R44 E49 G50 N51 K90 L91 N94 E205 P206 L208V43-F47 WeakPolarHBondContact O-CB 3.34Å; V43-F47 PolarHBondContact O-N 3.27Å; R44-F47 PolarHBondContact O-N 3.13Å; F47-E49 VanDerWaalsContact C-N 3.33Å; F47-E49 PolarHBondContact O-N 3.1Å; F47-G50 PolarHBondContact O-N 3.12Å; F47-N51 WeakPolarHBondContact CE1-ND2 3.46Å; F47-N51 PolarHBondContact O-N 2.99Å; F47-K90 HydrophobicContact CE2-CB 3.76Å; F47-K90 HydrophobicContact CZ-CB 4.1Å; F47-L91 HydrophobicContact CB-CD2 4.3Å; F47-L91 HydrophobicContact CD2-CD2 3.64Å; F47-L91 HydrophobicContact CD2-CG 3.87Å; F47-L91 HydrophobicContact CG-CD2 4.45Å; F47-N94 WeakPolarHBondContact CZ-ND2 3.46Å; F47-E205 HydrophobicContact CZ-CB 4.12Å; F47-P206 WeakPolarHBondContact CE1-O 3.36Å; F47-L208 HydrophobicContact CB-CD1 3.94Å; F47-L208 HydrophobicContact CD1-CB 4.31Å; F47-L208 HydrophobicContact CD1-CD1 3.79Å; F47-L208 HydrophobicContact CD1-CG 3.62Å; F47-L208 HydrophobicContact CD2-CD1 4.08Å; F47-L208 HydrophobicContact CE1-CD1 4.32Å; F47-L208 HydrophobicContact CE1-CG 3.81Å; F47-L208 HydrophobicContact CG-CD1 3.66Å; F47-L208 HydrophobicContact CG-CG 4.04Å; F47-L208 HydrophobicContact CZ-CG 4.38Å
48N94.6Very high93.6Very high21 Ų2139 Ų3911%0.11217%0.173CC..Hα-helixtrans-67.6-32.3-178.6-68.2-7.2000112.2R11 R44 N45 D52 D207 L208R11-N48 PolarHBondContact NH1-O 2.95Å; R44-N48 WeakPolarHBondContact O-CB 3.41Å; R44-N48 VanDerWaalsContact O-CG 3.3Å; R44-N48 PolarHBondContact O-N 2.91Å; N45-N48 PolarHBondContact O-N 2.91Å; N48-D52 PolarHBondContact O-N 2.99Å; N48-D207 WeakPolarHBondContact OD1-CA 3.42Å; N48-L208 PolarHBondContact ND2-O 3.1Å; N48-L208 PolarHBondContact OD1-N 3.49Å
49E94.7Very high93.6Very high7 Ų739 Ų393%0.03317%0.173CC..Hα-helixtrans-71.1-42172.1-16760.4-149.400112R8 R11 Q12 I15 N45 L46 F47 N51 D52 V53 Q65R8-E49 WeakPolarHBondContact CG-OE2 3.15Å; R8-E49 IonicContact CZ-OE1 3.33Å; R8-E49 VanDerWaalsContact CZ-OE1 3.22Å; R8-E49 IonicContact NE-OE1 3.33Å; R8-E49 PolarHBondContact NE-OE1 3.4Å; R8-E49 IonicContact NE-OE2 2.8Å; R8-E49 PolarHBondContact NE-OE2 3.25Å; R8-E49 IonicContact NH2-OE1 3.4Å; R8-E49 PolarHBondContact NH2-OE1 2.78Å; R11-E49 IonicContact CZ-OE2 2.82Å; R11-E49 IonicContact NH1-OE2 2.74Å; R11-E49 PolarHBondContact NH1-OE2 3.08Å; Q12-E49 HydrophobicContact CG-CG 4.41Å; Q12-E49 PolarHBondContact NE2-OE1 3.19Å; I15-E49 HydrophobicContact CD1-CB 3.71Å; I15-E49 HydrophobicContact CD1-CG 4.14Å; N45-E49 WeakPolarHBondContact O-CB 3.26Å; N45-E49 PolarHBondContact O-N 3.35Å; L46-E49 PolarHBondContact O-N 3.05Å; F47-E49 VanDerWaalsContact C-N 3.33Å; F47-E49 PolarHBondContact O-N 3.1Å; E49-N51 PolarHBondContact O-N 3.3Å; E49-D52 PolarHBondContact O-N 3.14Å; E49-D52 VanDerWaalsContact O-N 3.16Å; E49-V53 HydrophobicContact CG-CG2 4.48Å; E49-V53 WeakPolarHBondContact O-CB 3.3Å; E49-V53 VanDerWaalsContact O-CG2 3.3Å; E49-V53 WeakPolarHBondContact O-CG2 3.5Å; E49-V53 PolarHBondContact O-N 3.24Å; E49-Q65 HydrophobicContact CG-CG 4.35Å
50G94.8Very high93.6Very high0 Ų043.9 Ų43.90%020%0.199CC..Hα-helixtrans-57.3-39.3172.100000112.3L46 F47 Y54 S62 Y66L46-G50 PolarHBondContact O-N 3.19Å; F47-G50 PolarHBondContact O-N 3.12Å; G50-Y54 WeakPolarHBondContact O-CB 3.49Å; G50-Y54 PolarHBondContact O-N 2.92Å; G50-S62 PolarHBondContact O-OG 2.71Å; G50-Y66 VanDerWaalsContact C-CZ 3.49Å; G50-Y66 PolarHBondContact O-OH 3.38Å; G50-Y66 VanDerWaalsContact O-OH 3.12Å
51N94.6Very high93.6Very high0 Ų045.2 Ų45.20%021%0.208CC..Hα-helixtrans-65.6-43.1173.7-86.222.2000112.8F47 E49 Y54 R55 Y66 N94 I204 E205 D207F47-N51 WeakPolarHBondContact CE1-ND2 3.46Å; F47-N51 PolarHBondContact O-N 2.99Å; E49-N51 PolarHBondContact O-N 3.3Å; N51-Y54 WeakPolarHBondContact O-CB 3.49Å; N51-Y54 PolarHBondContact O-N 3.42Å; N51-R55 WeakPolarHBondContact O-CG 3.22Å; N51-R55 PolarHBondContact O-N 2.98Å; N51-Y66 WeakPolarHBondContact CA-OH 3.41Å; N51-Y66 PolarHBondContact N-OH 3.39Å; N51-Y66 PolarHBondContact OD1-OH 3.32Å; N51-N94 PolarHBondContact OD1-ND2 2.87Å; N51-I204 HydrophobicContact CB-CD1 4.48Å; N51-E205 PolarHBondContact ND2-O 3.24Å; N51-D207 WeakPolarHBondContact CB-OD1 3.05Å; N51-D207 PolarHBondContact ND2-N 2.99Å; N51-D207 PolarHBondContact ND2-OD1 3.34Å
52D92.8Very high93.7Very high29 Ų2944 Ų4416%0.15520%0.198CC..Hα-helixtrans-63.9-43.7174.5-88.2-37.7000112.1R8 R11 N48 E49 Y54 R55 E56R8-D52 WeakPolarHBondContact CD-OD2 3.29Å; R8-D52 IonicContact NE-OD2 2.77Å; R11-D52 IonicContact CZ-OD2 2.78Å; R11-D52 VanDerWaalsContact CZ-OD2 3.24Å; R11-D52 IonicContact NH1-OD2 2.71Å; R11-D52 PolarHBondContact NH1-OD2 3.2Å; R11-D52 IonicContact NH2-OD2 3.73Å; R11-D52 PolarHBondContact NH2-OD2 3.41Å; N48-D52 PolarHBondContact O-N 2.99Å; E49-D52 PolarHBondContact O-N 3.14Å; E49-D52 VanDerWaalsContact O-N 3.16Å; D52-Y54 VanDerWaalsContact C-N 3.3Å; D52-Y54 PolarHBondContact O-N 2.74Å; D52-R55 VanDerWaalsContact CG-NH2 3.27Å; D52-R55 WeakPolarHBondContact O-CB 3.4Å; D52-R55 PolarHBondContact O-N 2.9Å; D52-R55 VanDerWaalsContact O-N 3.11Å; D52-R55 IonicContact OD1-CZ 2.7Å; D52-R55 VanDerWaalsContact OD1-CZ 3.32Å; D52-R55 IonicContact OD1-NE 3.15Å; D52-R55 PolarHBondContact OD1-NE 2.77Å; D52-R55 VanDerWaalsContact OD1-NE 3.1Å; D52-R55 IonicContact OD1-NH2 2.67Å; D52-R55 PolarHBondContact OD1-NH2 3.4Å; D52-R55 IonicContact OD2-NH2 3.18Å; D52-E56 WeakPolarHBondContact O-CG 3.5Å; D52-E56 PolarHBondContact O-N 3.15Å
53V93.6Very high93.7Very high14 Ų1444.7 Ų44.79%0.08520%0.201CC..Hα-helixtrans-67.8-31177.4178.10000111.6E49 E56 R57 D58 N61E49-V53 HydrophobicContact CG-CG2 4.48Å; E49-V53 WeakPolarHBondContact O-CB 3.3Å; E49-V53 VanDerWaalsContact O-CG2 3.3Å; E49-V53 WeakPolarHBondContact O-CG2 3.5Å; E49-V53 PolarHBondContact O-N 3.24Å; V53-E56 CarbonylContact O-C 3.58Å; V53-E56 PolarHBondContact O-N 2.74Å; V53-R57 PolarHBondContact O-N 2.98Å; V53-D58 HydrophobicContact CG1-CB 3.86Å; V53-D58 WeakPolarHBondContact CG1-O 3.46Å; V53-D58 PolarHBondContact O-N 3.31Å; V53-N61 HydrophobicContact CG1-CB 3.66Å
54Y93Very high93.7Very high32 Ų3247.7 Ų47.713%0.12522%0.222CC..Hα-helixtrans-63.3-43.3168.9-172.8-86.8000111.6G50 N51 D52 E56 R57 W59 A97 C98 N101 I204G50-Y54 WeakPolarHBondContact O-CB 3.49Å; G50-Y54 PolarHBondContact O-N 2.92Å; N51-Y54 WeakPolarHBondContact O-CB 3.49Å; N51-Y54 PolarHBondContact O-N 3.42Å; D52-Y54 VanDerWaalsContact C-N 3.3Å; D52-Y54 PolarHBondContact O-N 2.74Å; Y54-E56 PolarHBondContact O-N 2.82Å; Y54-R57 WeakPolarHBondContact O-CA 3.4Å; Y54-R57 PolarHBondContact O-N 3.03Å; Y54-W59 AromaticContact CD1-CZ3 3.88Å; Y54-W59 HydrophobicContact CD1-CZ3 3.88Å; Y54-W59 AromaticContact CD2-CE3 3.58Å; Y54-W59 HydrophobicContact CD2-CE3 3.58Å; Y54-W59 AromaticContact CD2-CZ3 3.45Å; Y54-W59 HydrophobicContact CD2-CZ3 3.45Å; Y54-W59 VanDerWaalsContact CD2-CZ3 3.45Å; Y54-W59 HydrophobicContact CE1-CH2 4.36Å; Y54-W59 AromaticContact CE1-CZ3 3.81Å; Y54-W59 HydrophobicContact CE1-CZ3 3.81Å; Y54-W59 AromaticContact CE2-CE3 3.62Å; Y54-W59 HydrophobicContact CE2-CE3 3.62Å; Y54-W59 HydrophobicContact CE2-CH2 4.36Å; Y54-W59 AromaticContact CE2-CZ3 3.37Å; Y54-W59 HydrophobicContact CE2-CZ3 3.37Å; Y54-W59 HydrophobicContact CG-CE3 4.18Å; Y54-W59 AromaticContact CG-CZ3 3.7Å; Y54-W59 HydrophobicContact CG-CZ3 3.7Å; Y54-W59 AromaticContact CZ-CZ3 3.55Å; Y54-W59 VanDerWaalsContact O-CZ3 3.24Å; Y54-W59 WeakPolarHBondContact O-CZ3 3.44Å; Y54-A97 HydrophobicContact CE2-CB 3.93Å; Y54-C98 VanDerWaalsContact CD2-SG 3.55Å; Y54-N101 PolarHBondContact OH-ND2 3.02Å; Y54-I204 HydrophobicContact CD1-CD1 3.51Å; Y54-I204 HydrophobicContact CD1-CG1 3.92Å; Y54-I204 HydrophobicContact CD1-CG2 3.95Å; Y54-I204 HydrophobicContact CD2-CG2 4.01Å; Y54-I204 HydrophobicContact CE1-CB 4.36Å; Y54-I204 HydrophobicContact CE1-CD1 4.05Å; Y54-I204 HydrophobicContact CE1-CG1 3.91Å; Y54-I204 HydrophobicContact CE1-CG2 3.57Å; Y54-I204 HydrophobicContact CE2-CG2 3.64Å; Y54-I204 HydrophobicContact CG-CD1 3.97Å; Y54-I204 HydrophobicContact CG-CG2 4.16Å; Y54-I204 VanDerWaalsContact CZ-CG2 3.41Å
55R92.6Very high93.9Very high123 Ų12347.7 Ų47.746%0.46422%0.224SC..Hα-helixtrans-62.7-30.3175.1-70.5-179.8-79.4-103.213.9112N51 D52 R57 D207N51-R55 WeakPolarHBondContact O-CG 3.22Å; N51-R55 PolarHBondContact O-N 2.98Å; D52-R55 VanDerWaalsContact CG-NH2 3.27Å; D52-R55 WeakPolarHBondContact O-CB 3.4Å; D52-R55 PolarHBondContact O-N 2.9Å; D52-R55 VanDerWaalsContact O-N 3.11Å; D52-R55 IonicContact OD1-CZ 2.7Å; D52-R55 VanDerWaalsContact OD1-CZ 3.32Å; D52-R55 IonicContact OD1-NE 3.15Å; D52-R55 PolarHBondContact OD1-NE 2.77Å; D52-R55 VanDerWaalsContact OD1-NE 3.1Å; D52-R55 IonicContact OD1-NH2 2.67Å; D52-R55 PolarHBondContact OD1-NH2 3.4Å; D52-R55 IonicContact OD2-NH2 3.18Å; R55-R57 PolarHBondContact O-N 2.95Å; R55-D207 IonicContact CZ-OD1 3.25Å; R55-D207 IonicContact CZ-OD2 3.71Å; R55-D207 IonicContact NH1-OD1 3.99Å; R55-D207 PolarHBondContact NH1-OD1 3.47Å; R55-D207 IonicContact NH1-OD2 3.78Å; R55-D207 IonicContact NH2-OD1 2.66Å; R55-D207 PolarHBondContact NH2-OD1 2.87Å; R55-D207 IonicContact NH2-OD2 2.71Å; R55-D207 PolarHBondContact NH2-OD2 3Å
56E92.2Very high94Very high112 Ų11246.2 Ų46.252%0.52322%0.216SC..THydrogen-bonded Turntrans-77-2.1172.6-67.6171.8146.900113.9R8 D52 V53 Y54 D58R8-E56 IonicContact CZ-OE1 3.71Å; R8-E56 IonicContact CZ-OE2 3.97Å; R8-E56 IonicContact NH1-OE1 3.47Å; R8-E56 PolarHBondContact NH1-OE1 3.07Å; R8-E56 IonicContact NH1-OE2 3.4Å; R8-E56 PolarHBondContact NH1-OE2 3.41Å; R8-E56 VanDerWaalsContact NH1-OE2 3.15Å; R8-E56 IonicContact NH2-OE1 2.72Å; R8-E56 IonicContact NH2-OE2 3.63Å; R8-E56 PolarHBondContact NH2-OE2 3.21Å; D52-E56 WeakPolarHBondContact O-CG 3.5Å; D52-E56 PolarHBondContact O-N 3.15Å; V53-E56 CarbonylContact O-C 3.58Å; V53-E56 PolarHBondContact O-N 2.74Å; Y54-E56 PolarHBondContact O-N 2.82Å; E56-D58 VanDerWaalsContact C-N 3.26Å; E56-D58 PolarHBondContact O-N 3.11Å
57R90.6Very high94Very high198 Ų19848 Ų4875%0.74723%0.227SC*.THydrogen-bonded Turntrans66.613.4-178.5-53.1-179.2175.8-172.1-2.5115.7V53 Y54 R55 W59V53-R57 PolarHBondContact O-N 2.98Å; Y54-R57 WeakPolarHBondContact O-CA 3.4Å; Y54-R57 PolarHBondContact O-N 3.03Å; R55-R57 PolarHBondContact O-N 2.95Å; R57-W59 HydrophobicContact CB-CH2 4.07Å; R57-W59 HydrophobicContact CB-CZ2 3.95Å; R57-W59 HydrophobicContact CG-CH2 4.08Å; R57-W59 HydrophobicContact CG-CZ2 4.21Å; R57-W59 PolarHBondContact O-N 2.73Å; R57-W59 VanDerWaalsContact O-N 3.14Å
58D92.9Very high94Very high59 Ų5950.6 Ų50.632%0.31624%0.239SC..  trans-86.382.3173-170.2-23.1000110.1V53 E56 N60 N61 S62V53-D58 HydrophobicContact CG1-CB 3.86Å; V53-D58 WeakPolarHBondContact CG1-O 3.46Å; V53-D58 PolarHBondContact O-N 3.31Å; E56-D58 VanDerWaalsContact C-N 3.26Å; E56-D58 PolarHBondContact O-N 3.11Å; D58-N60 PolarHBondContact O-N 3.07Å; D58-N60 PolarHBondContact OD1-N 3.38Å; D58-N61 HydrophobicContact CB-CB 4.48Å; D58-N61 PolarHBondContact O-N 3.35Å; D58-N61 PolarHBondContact OD1-N 2.82Å; D58-N61 PolarHBondContact OD2-ND2 3.4Å; D58-S62 VanDerWaalsContact O-CB 3.22Å; D58-S62 WeakPolarHBondContact O-CB 3.46Å; D58-S62 PolarHBondContact O-N 3.43Å
59W92.8Very high94.1Very high63 Ų6349.6 Ų49.624%0.23923%0.234CC..Hα-helixtrans-59.5-31.9-179.1-42.9130.6000112.6Y54 R57 I63 C98 N101 M102Y54-W59 AromaticContact CD1-CZ3 3.88Å; Y54-W59 HydrophobicContact CD1-CZ3 3.88Å; Y54-W59 AromaticContact CD2-CE3 3.58Å; Y54-W59 HydrophobicContact CD2-CE3 3.58Å; Y54-W59 AromaticContact CD2-CZ3 3.45Å; Y54-W59 HydrophobicContact CD2-CZ3 3.45Å; Y54-W59 VanDerWaalsContact CD2-CZ3 3.45Å; Y54-W59 HydrophobicContact CE1-CH2 4.36Å; Y54-W59 AromaticContact CE1-CZ3 3.81Å; Y54-W59 HydrophobicContact CE1-CZ3 3.81Å; Y54-W59 AromaticContact CE2-CE3 3.62Å; Y54-W59 HydrophobicContact CE2-CE3 3.62Å; Y54-W59 HydrophobicContact CE2-CH2 4.36Å; Y54-W59 AromaticContact CE2-CZ3 3.37Å; Y54-W59 HydrophobicContact CE2-CZ3 3.37Å; Y54-W59 HydrophobicContact CG-CE3 4.18Å; Y54-W59 AromaticContact CG-CZ3 3.7Å; Y54-W59 HydrophobicContact CG-CZ3 3.7Å; Y54-W59 AromaticContact CZ-CZ3 3.55Å; Y54-W59 VanDerWaalsContact O-CZ3 3.24Å; Y54-W59 WeakPolarHBondContact O-CZ3 3.44Å; R57-W59 HydrophobicContact CB-CH2 4.07Å; R57-W59 HydrophobicContact CB-CZ2 3.95Å; R57-W59 HydrophobicContact CG-CH2 4.08Å; R57-W59 HydrophobicContact CG-CZ2 4.21Å; R57-W59 PolarHBondContact O-N 2.73Å; R57-W59 VanDerWaalsContact O-N 3.14Å; W59-I63 WeakPolarHBondContact O-CB 3.31Å; W59-I63 VanDerWaalsContact O-CD1 3.26Å; W59-I63 WeakPolarHBondContact O-CD1 3.37Å; W59-I63 WeakPolarHBondContact O-CG1 3.5Å; W59-I63 PolarHBondContact O-N 2.8Å; W59-C98 HydrophobicContact CB-CB 4.26Å; W59-N101 HydrophobicContact CD2-CB 4.03Å; W59-N101 HydrophobicContact CG-CB 4.23Å; W59-N101 WeakPolarHBondContact CH2-ND2 3.41Å; W59-N101 HydrophobicContact CZ2-CB 4.19Å; W59-N101 WeakPolarHBondContact CZ3-ND2 3.32Å; W59-M102 HydrophobicContact CB-CG 3.76Å; W59-M102 HydrophobicContact CB-SD 3.76Å; W59-M102 HydrophobicContact CG-CG 4.12Å
60N93.3Very high94.1Very high103 Ų10349.5 Ų49.555%0.55123%0.234SC*.Hα-helixtrans-69.4-53.1-179.2-80.1-52.6000111.5D58 S62 I63 S64 M102D58-N60 PolarHBondContact O-N 3.07Å; D58-N60 PolarHBondContact OD1-N 3.38Å; N60-S62 VanDerWaalsContact C-N 3.28Å; N60-S62 PolarHBondContact O-N 3.26Å; N60-I63 PolarHBondContact O-N 2.83Å; N60-S64 PolarHBondContact O-N 3.16Å; N60-M102 WeakPolarHBondContact OD1-CE 3.2Å
61N92.5Very high94.1Very high84 Ų8453.5 Ų53.545%0.44926%0.255SS..Hα-helixtrans-67.4-32.4178.7-77.5-49.1000111.2V53 D58 S64 Q65V53-N61 HydrophobicContact CG1-CB 3.66Å; D58-N61 HydrophobicContact CB-CB 4.48Å; D58-N61 PolarHBondContact O-N 3.35Å; D58-N61 PolarHBondContact OD1-N 2.82Å; D58-N61 PolarHBondContact OD2-ND2 3.4Å; N61-S64 WeakPolarHBondContact O-CB 3.45Å; N61-S64 PolarHBondContact O-N 2.9Å; N61-Q65 WeakPolarHBondContact O-CG 3.16Å; N61-Q65 PolarHBondContact O-N 3.47Å
62S94.6Very high94.1Very high0 Ų053.7 Ų53.70%026%0.256CS..Hα-helixtrans-62.1-46.4171.7-171.10000112.4G50 D58 N60 S64 Q65 Y66G50-S62 PolarHBondContact O-OG 2.71Å; D58-S62 VanDerWaalsContact O-CB 3.22Å; D58-S62 WeakPolarHBondContact O-CB 3.46Å; D58-S62 PolarHBondContact O-N 3.43Å; N60-S62 VanDerWaalsContact C-N 3.28Å; N60-S62 PolarHBondContact O-N 3.26Å; S62-S64 VanDerWaalsContact C-N 3.25Å; S62-S64 PolarHBondContact O-N 2.85Å; S62-Q65 PolarHBondContact O-N 3.18Å; S62-Y66 WeakPolarHBondContact O-CD2 3.25Å; S62-Y66 PolarHBondContact O-N 2.93Å; S62-Y66 WeakPolarHBondContact OG-CE2 3.46Å; S62-Y66 PolarHBondContact OG-OH 2.78Å
63I95.3Very high94.2Very high19 Ų1952.6 Ų52.610%0.09725%0.251CS..Hα-helixtrans-57-39.6172.2-73.1158.4000111.4W59 N60 T67 R95 C98 Y99 M102W59-I63 WeakPolarHBondContact O-CB 3.31Å; W59-I63 VanDerWaalsContact O-CD1 3.26Å; W59-I63 WeakPolarHBondContact O-CD1 3.37Å; W59-I63 WeakPolarHBondContact O-CG1 3.5Å; W59-I63 PolarHBondContact O-N 2.8Å; N60-I63 PolarHBondContact O-N 2.83Å; I63-T67 VanDerWaalsContact O-CB 3.23Å; I63-T67 WeakPolarHBondContact O-CB 3.39Å; I63-T67 PolarHBondContact O-N 3.39Å; I63-T67 PolarHBondContact O-OG1 3.09Å; I63-R95 HydrophobicContact CG1-CG 4.32Å; I63-R95 HydrophobicContact CG2-CG 4.38Å; I63-C98 HydrophobicContact CD1-CB 3.6Å; I63-C98 HydrophobicContact CG1-CB 3.33Å; I63-Y99 HydrophobicContact CD1-CD1 3.6Å; I63-Y99 HydrophobicContact CD1-CE1 3.59Å; I63-Y99 HydrophobicContact CD1-CG 4.48Å; I63-Y99 HydrophobicContact CG1-CD1 4.38Å; I63-Y99 HydrophobicContact CG1-CE1 4.18Å; I63-Y99 HydrophobicContact CG2-CE1 4.1Å; I63-M102 HydrophobicContact CD1-SD 3.63Å
64S95Very high94.1Very high64 Ų6455.9 Ų55.945%0.44827%0.268SS..Hα-helixtrans-61.7-48.9177.4-1630000111.5N60 N61 S62 Y66 T67 E68N60-S64 PolarHBondContact O-N 3.16Å; N61-S64 WeakPolarHBondContact O-CB 3.45Å; N61-S64 PolarHBondContact O-N 2.9Å; S62-S64 VanDerWaalsContact C-N 3.25Å; S62-S64 PolarHBondContact O-N 2.85Å; S64-Y66 PolarHBondContact O-N 2.92Å; S64-T67 PolarHBondContact O-N 3.29Å; S64-E68 WeakPolarHBondContact O-CB 3.35Å; S64-E68 PolarHBondContact O-N 3.03Å
65Q96Very high94.1Very high43 Ų4357.8 Ų57.820%0.20128%0.276CS..Hα-helixtrans-61.9-44.7178-58.4-51.1-54.600112.6L46 E49 N61 S62 E68 A69L46-Q65 VanDerWaalsContact CD2-OE1 3.27Å; E49-Q65 HydrophobicContact CG-CG 4.35Å; N61-Q65 WeakPolarHBondContact O-CG 3.16Å; N61-Q65 PolarHBondContact O-N 3.47Å; S62-Q65 PolarHBondContact O-N 3.18Å; Q65-E68 PolarHBondContact O-N 2.89Å; Q65-A69 WeakPolarHBondContact O-CB 3.42Å; Q65-A69 PolarHBondContact O-N 3.47Å
66Y97Very high94Very high0 Ų051.9 Ų51.90%025%0.253CS..Hα-helixtrans-68.4-34.1178-57-47.6000112.8G50 N51 S62 S64 L70 L91 N94 R95G50-Y66 VanDerWaalsContact C-CZ 3.49Å; G50-Y66 PolarHBondContact O-OH 3.38Å; G50-Y66 VanDerWaalsContact O-OH 3.12Å; N51-Y66 WeakPolarHBondContact CA-OH 3.41Å; N51-Y66 PolarHBondContact N-OH 3.39Å; N51-Y66 PolarHBondContact OD1-OH 3.32Å; S62-Y66 WeakPolarHBondContact O-CD2 3.25Å; S62-Y66 PolarHBondContact O-N 2.93Å; S62-Y66 WeakPolarHBondContact OG-CE2 3.46Å; S62-Y66 PolarHBondContact OG-OH 2.78Å; S64-Y66 PolarHBondContact O-N 2.92Å; Y66-L70 WeakPolarHBondContact O-CG 3.41Å; Y66-L70 PolarHBondContact O-N 3.28Å; Y66-L70 VanDerWaalsContact O-N 3.09Å; Y66-L91 HydrophobicContact CD1-CD2 3.92Å; Y66-L91 HydrophobicContact CG-CD2 4.42Å; Y66-N94 HydrophobicContact CD1-CB 4.42Å; Y66-N94 HydrophobicContact CD2-CB 4.22Å; Y66-N94 HydrophobicContact CE1-CB 3.89Å; Y66-N94 HydrophobicContact CE2-CB 3.67Å; Y66-N94 VanDerWaalsContact CZ-CB 3.49Å; Y66-R95 HydrophobicContact CD2-CB 4.32Å
67T95.8Very high93.9Very high36 Ų3653 Ų5322%0.22126%0.256CS..Hα-helixtrans-71.6-38.8178.2-58.10000110.8I63 S64 L70 N71 R95I63-T67 VanDerWaalsContact O-CB 3.23Å; I63-T67 WeakPolarHBondContact O-CB 3.39Å; I63-T67 PolarHBondContact O-N 3.39Å; I63-T67 PolarHBondContact O-OG1 3.09Å; S64-T67 PolarHBondContact O-N 3.29Å; T67-L70 WeakPolarHBondContact O-CB 3.4Å; T67-L70 PolarHBondContact O-N 3.08Å; T67-L70 VanDerWaalsContact O-N 3.16Å; T67-N71 PolarHBondContact O-N 2.9Å; T67-N71 PolarHBondContact O-ND2 3.29Å; T67-N71 PolarHBondContact O-OD1 3.18Å; T67-R95 VanDerWaalsContact OG1-CD 3.31Å; T67-R95 WeakPolarHBondContact OG1-CD 3.41Å; T67-R95 PolarHBondContact OG1-NH1 3.38Å; T67-R95 VanDerWaalsContact OG1-NH1 3.12Å
68E95.5Very high93.8Very high55 Ų5547.5 Ų47.526%0.25725%0.249SC..Hα-helixtrans-67.8-36.3174.5-164.668.1170.500112.2L19 L46 S64 Q65 L70 N71 I72L19-E68 HydrophobicContact CD1-CG 4.31Å; L19-E68 HydrophobicContact CD2-CG 3.62Å; L46-E68 HydrophobicContact CD1-CG 4.4Å; L46-E68 HydrophobicContact CD2-CB 4.47Å; S64-E68 WeakPolarHBondContact O-CB 3.35Å; S64-E68 PolarHBondContact O-N 3.03Å; Q65-E68 PolarHBondContact O-N 2.89Å; E68-L70 VanDerWaalsContact C-N 3.27Å; E68-L70 PolarHBondContact O-N 3.43Å; E68-N71 WeakPolarHBondContact O-CB 3.38Å; E68-N71 PolarHBondContact O-N 2.96Å; E68-N71 PolarHBondContact OE2-ND2 2.86Å; E68-I72 HydrophobicContact CG-CD1 4.42Å; E68-I72 VanDerWaalsContact O-CG1 3.31Å; E68-I72 WeakPolarHBondContact O-CG1 3.36Å; E68-I72 PolarHBondContact O-N 2.89Å
69A96.1Very high93.5Very high0 Ų048.3 Ų48.30%025%0.251CS..Hα-helixtrans-62-33170.800000113.2V43 L46 Q65 A73 L91V43-A69 HydrophobicContact CG1-CB 4.36Å; L46-A69 HydrophobicContact CB-CB 3.76Å; L46-A69 HydrophobicContact CD1-CB 4.33Å; Q65-A69 WeakPolarHBondContact O-CB 3.42Å; Q65-A69 PolarHBondContact O-N 3.47Å; A69-A73 PolarHBondContact O-N 3.45Å; A69-L91 HydrophobicContact CB-CD1 3.86Å; A69-L91 HydrophobicContact CB-CD2 3.5Å; A69-L91 VanDerWaalsContact CB-CD2 3.5Å; A69-L91 HydrophobicContact CB-CG 4.35Å
70L95.8Very high93.3Very high6 Ų653.8 Ų53.83%0.03128%0.279CS..Hα-helixtrans-73.5-43.3172.8-72.5168.3000111.6Y66 T67 E68 I72 A73 D74 I88 L91 Y92Y66-L70 WeakPolarHBondContact O-CG 3.41Å; Y66-L70 PolarHBondContact O-N 3.28Å; Y66-L70 VanDerWaalsContact O-N 3.09Å; T67-L70 WeakPolarHBondContact O-CB 3.4Å; T67-L70 PolarHBondContact O-N 3.08Å; T67-L70 VanDerWaalsContact O-N 3.16Å; E68-L70 VanDerWaalsContact C-N 3.27Å; E68-L70 PolarHBondContact O-N 3.43Å; L70-I72 VanDerWaalsContact C-N 3.26Å; L70-I72 PolarHBondContact O-N 2.97Å; L70-A73 WeakPolarHBondContact O-CB 3.48Å; L70-A73 PolarHBondContact O-N 3.47Å; L70-D74 PolarHBondContact O-N 3.48Å; L70-I88 HydrophobicContact CD2-CG2 4Å; L70-L91 HydrophobicContact CD1-CB 4.45Å; L70-L91 HydrophobicContact CD2-CB 3.83Å; L70-L91 HydrophobicContact CD2-CD1 3.89Å; L70-L91 HydrophobicContact CD2-CG 4.47Å; L70-L91 HydrophobicContact CG-CB 4.03Å; L70-L91 HydrophobicContact CG-CD1 4.11Å; L70-Y92 HydrophobicContact CD1-CD1 4.25Å; L70-Y92 HydrophobicContact CD1-CD2 4.38Å; L70-Y92 HydrophobicContact CD1-CE1 4.02Å; L70-Y92 HydrophobicContact CD1-CE2 4.12Å; L70-Y92 HydrophobicContact CD1-CG 4.42Å; L70-Y92 HydrophobicContact CD2-CD2 3.94Å; L70-Y92 HydrophobicContact CD2-CE2 3.55Å
71N95.3Very high93.2Very high84 Ų8449.3 Ų49.345%0.44926%0.255SS..Hα-helixtrans-54.2-43.9174.4-65.3-19.5000111.2T67 E68 D74 Y75T67-N71 PolarHBondContact O-N 2.9Å; T67-N71 PolarHBondContact O-ND2 3.29Å; T67-N71 PolarHBondContact O-OD1 3.18Å; E68-N71 WeakPolarHBondContact O-CB 3.38Å; E68-N71 PolarHBondContact O-N 2.96Å; E68-N71 PolarHBondContact OE2-ND2 2.86Å; N71-D74 PolarHBondContact O-N 3.32Å; N71-Y75 WeakPolarHBondContact O-CB 3.49Å; N71-Y75 PolarHBondContact O-N 2.91Å
72I94.1Very high93Very high4 Ų452.1 Ų52.12%0.02127%0.269CS..Hα-helixtrans-71.1-30.2177.6-63.6169.8000112.1L19 I22 L39 L42 V43 L46 E68 L70 A76L19-I72 HydrophobicContact CD2-CD1 3.62Å; I22-I72 HydrophobicContact CD1-CB 4.5Å; I22-I72 HydrophobicContact CD1-CD1 4.03Å; I22-I72 HydrophobicContact CD1-CG1 3.9Å; I22-I72 HydrophobicContact CD1-CG2 3.85Å; L39-I72 HydrophobicContact CD2-CG2 4.29Å; L42-I72 HydrophobicContact CD2-CD1 3.8Å; L42-I72 HydrophobicContact CG-CD1 3.88Å; V43-I72 HydrophobicContact CG2-CB 4.09Å; V43-I72 HydrophobicContact CG2-CG2 3.68Å; L46-I72 HydrophobicContact CD1-CD1 3.38Å; E68-I72 HydrophobicContact CG-CD1 4.42Å; E68-I72 VanDerWaalsContact O-CG1 3.31Å; E68-I72 WeakPolarHBondContact O-CG1 3.36Å; E68-I72 PolarHBondContact O-N 2.89Å; L70-I72 VanDerWaalsContact C-N 3.26Å; L70-I72 PolarHBondContact O-N 2.97Å; I72-A76 VanDerWaalsContact O-CB 3.26Å; I72-A76 WeakPolarHBondContact O-CB 3.44Å; I72-A76 PolarHBondContact O-N 3.41Å
73A93.7Very high92.8Very high6 Ų652.8 Ų52.85%0.0527%0.272CS..Hα-helixtrans-70.8-37.6174.800000112.5A69 L70 K77 I83 I88A69-A73 PolarHBondContact O-N 3.45Å; L70-A73 WeakPolarHBondContact O-CB 3.48Å; L70-A73 PolarHBondContact O-N 3.47Å; A73-K77 WeakPolarHBondContact O-CB 3.42Å; A73-K77 PolarHBondContact O-N 2.88Å; A73-I83 HydrophobicContact CB-CB 4.23Å; A73-I83 HydrophobicContact CB-CG1 3.95Å; A73-I83 HydrophobicContact CB-CG2 4.34Å; A73-I88 HydrophobicContact CB-CD1 4.49Å; A73-I88 HydrophobicContact CB-CG1 4.39Å
74D92.7Very high92.6Very high83 Ų8354.1 Ų54.144%0.44428%0.282SS..Hα-helixtrans-72.8-33.7172.1-82.8-51.3000112.3L70 N71 K77 S78L70-D74 PolarHBondContact O-N 3.48Å; N71-D74 PolarHBondContact O-N 3.32Å; D74-K77 WeakPolarHBondContact O-CB 3.47Å; D74-K77 PolarHBondContact O-N 3.17Å; D74-K77 IonicContact OD1-NZ 3.55Å; D74-K77 PolarHBondContact OD1-NZ 2.99Å; D74-S78 PolarHBondContact O-N 2.91Å
75Y91.6Very high92.2Very high71 Ų7158 Ų5828%0.27829%0.291SS..Hα-helixtrans-64.9-46.1170.7171-104.9000112.6I22 Y35 N71 K77 S78 E79I22-Y75 HydrophobicContact CD1-CD1 4.32Å; I22-Y75 HydrophobicContact CD1-CE1 4.44Å; I22-Y75 HydrophobicContact CG1-CE1 4.29Å; I22-Y75 HydrophobicContact CG2-CD1 4.13Å; I22-Y75 HydrophobicContact CG2-CE1 4.08Å; Y35-Y75 WeakPolarHBondContact OH-CE1 3.39Å; Y35-Y75 PolarHBondContact OH-OH 3.37Å; N71-Y75 WeakPolarHBondContact O-CB 3.49Å; N71-Y75 PolarHBondContact O-N 2.91Å; Y75-K77 PolarHBondContact O-N 3.17Å; Y75-S78 WeakPolarHBondContact CA-OG 3.37Å; Y75-S78 PolarHBondContact O-N 2.91Å; Y75-S78 PolarHBondContact O-OG 2.99Å; Y75-E79 HydrophobicContact CE1-CG 4.23Å; Y75-E79 HydrophobicContact CE2-CG 4.13Å; Y75-E79 PolarHBondContact O-N 3.46Å
76A91.5Very high91.9Very high0 Ų061.7 Ų61.70%031%0.308CS..Hα-helixtrans-56.1-39.6174.600000111.3L39 I72 S78 E79 E80 I81 I83L39-A76 HydrophobicContact CD1-CB 3.77Å; I72-A76 VanDerWaalsContact O-CB 3.26Å; I72-A76 WeakPolarHBondContact O-CB 3.44Å; I72-A76 PolarHBondContact O-N 3.41Å; A76-S78 PolarHBondContact O-N 3.3Å; A76-E79 CarbonylContact O-C 3.37Å; A76-E79 WeakPolarHBondContact O-CA 3.36Å; A76-E79 PolarHBondContact O-N 2.92Å; A76-E80 PolarHBondContact O-N 3.48Å; A76-I81 CarbonylContact C-O 3.45Å; A76-I81 VanDerWaalsContact C-O 3.22Å; A76-I81 HydrophobicContact CB-CB 4.15Å; A76-I81 HydrophobicContact CB-CG2 4.13Å; A76-I81 WeakPolarHBondContact O-CA 3.37Å; A76-I81 WeakPolarHBondContact O-CB 3.42Å; A76-I81 PolarHBondContact O-N 3.24Å; A76-I83 HydrophobicContact CB-CD1 4.11Å; A76-I83 HydrophobicContact CB-CG1 3.96Å
77K90.1Very high91.6Very high134 Ų13463.3 Ų63.358%0.58332%0.317SS*.Hα-helixtrans-67.2-27.7176.9172.8-173.4161.6-1530113.8A73 D74 Y75 E80 I81A73-K77 WeakPolarHBondContact O-CB 3.42Å; A73-K77 PolarHBondContact O-N 2.88Å; D74-K77 WeakPolarHBondContact O-CB 3.47Å; D74-K77 PolarHBondContact O-N 3.17Å; D74-K77 IonicContact OD1-NZ 3.55Å; D74-K77 PolarHBondContact OD1-NZ 2.99Å; Y75-K77 PolarHBondContact O-N 3.17Å; K77-E80 PolarHBondContact O-N 3.19Å; K77-I81 PolarHBondContact N-O 3.19Å
78S89.2Confident91.5Very high84 Ų8463.3 Ų63.359%0.58732%0.315SS*.Hα-helixtrans-73-27167.737.60000113.3D74 Y75 A76 E80D74-S78 PolarHBondContact O-N 2.91Å; Y75-S78 WeakPolarHBondContact CA-OG 3.37Å; Y75-S78 PolarHBondContact O-N 2.91Å; Y75-S78 PolarHBondContact O-OG 2.99Å; A76-S78 PolarHBondContact O-N 3.3Å; S78-E80 PolarHBondContact O-N 3.05Å
79E86.4Confident91.4Very high76 Ų7662.1 Ų62.136%0.35531%0.309SS..THydrogen-bonded Turntrans-8618.8172.5-58.7-64.6141.400112.8Q32 Y35 Y75 A76 I81Q32-E79 PolarHBondContact NE2-O 3.33Å; Y35-E79 HydrophobicContact CE1-CG 4.41Å; Y75-E79 HydrophobicContact CE1-CG 4.23Å; Y75-E79 HydrophobicContact CE2-CG 4.13Å; Y75-E79 PolarHBondContact O-N 3.46Å; A76-E79 CarbonylContact O-C 3.37Å; A76-E79 WeakPolarHBondContact O-CA 3.36Å; A76-E79 PolarHBondContact O-N 2.92Å; E79-I81 HydrophobicContact CB-CD1 4.27Å; E79-I81 PolarHBondContact O-N 2.92Å; E79-I81 VanDerWaalsContact O-N 3.08Å
80E88.8Confident91.3Very high177 Ų17765.1 Ų65.183%0.82732%0.322SS*.THydrogen-bonded Turntrans58.910.4-174.6-55-167.9157.300115.9A76 K77 S78A76-E80 PolarHBondContact O-N 3.48Å; K77-E80 PolarHBondContact O-N 3.19Å; S78-E80 PolarHBondContact O-N 3.05Å
81I89.4Confident91.2Very high10 Ų1064.9 Ų64.95%0.05132%0.321CS..  trans-88.5112.4-179.2-67163.6000110.6Y35 A36 L39 A76 K77 E79 I83Y35-I81 HydrophobicContact CD1-CD1 3.63Å; Y35-I81 HydrophobicContact CE1-CD1 4.04Å; Y35-I81 HydrophobicContact CG-CD1 4.32Å; A36-I81 HydrophobicContact CB-CD1 4.16Å; A36-I81 HydrophobicContact CB-CG1 4.09Å; A36-I81 HydrophobicContact CB-CG2 3.78Å; L39-I81 HydrophobicContact CD1-CD1 3.8Å; L39-I81 HydrophobicContact CD1-CG2 4.49Å; A76-I81 CarbonylContact C-O 3.45Å; A76-I81 VanDerWaalsContact C-O 3.22Å; A76-I81 HydrophobicContact CB-CB 4.15Å; A76-I81 HydrophobicContact CB-CG2 4.13Å; A76-I81 WeakPolarHBondContact O-CA 3.37Å; A76-I81 WeakPolarHBondContact O-CB 3.42Å; A76-I81 PolarHBondContact O-N 3.24Å; K77-I81 PolarHBondContact N-O 3.19Å; E79-I81 HydrophobicContact CB-CD1 4.27Å; E79-I81 PolarHBondContact O-N 2.92Å; E79-I81 VanDerWaalsContact O-N 3.08Å; I81-I83 PolarHBondContact O-N 3.08Å
82L88.9Confident91.3Very high143 Ų14362.3 Ų62.375%0.74931%0.305SS*.  trans-86.697.6-175.2-63.4179.5000113.3
83I90.8Very high91.4Very high14 Ų1462.2 Ų62.27%0.07231%0.305CS..  trans-63.8130.2165.5-54.9-52.5000109.9H40 V43 A73 A76 I81 K85 I87 I88H40-I83 WeakPolarHBondContact CD2-CD1 3.33Å; V43-I83 HydrophobicContact CG2-CD1 4.49Å; A73-I83 HydrophobicContact CB-CB 4.23Å; A73-I83 HydrophobicContact CB-CG1 3.95Å; A73-I83 HydrophobicContact CB-CG2 4.34Å; A76-I83 HydrophobicContact CB-CD1 4.11Å; A76-I83 HydrophobicContact CB-CG1 3.96Å; I81-I83 PolarHBondContact O-N 3.08Å; I83-K85 PolarHBondContact O-N 3.33Å; I83-I87 HydrophobicContact CG2-CB 4.31Å; I83-I87 HydrophobicContact CG2-CG2 4.26Å; I83-I88 HydrophobicContact CB-CD1 4.4Å; I83-I88 HydrophobicContact CG2-CD1 4.45Å; I83-I88 HydrophobicContact CG2-CG1 4.16Å
84P90.3Very high91.4Very high46 Ų4661.9 Ų61.930%0.29930%0.302SS..  trans-54.4135178.2-28.834.3000113.5H40 E86 I87 I88H40-P84 VanDerWaalsContact CE1-CD 3.46Å; H40-P84 WeakPolarHBondContact CE1-CD 3.3Å; P84-E86 VanDerWaalsContact CB-OE2 3.27Å; P84-E86 WeakPolarHBondContact CB-OE2 3.48Å; P84-E86 PolarHBondContact O-N 3.17Å; P84-I87 HydrophobicContact CB-CD1 4.31Å; P84-I87 HydrophobicContact CB-CG1 4.34Å; P84-I87 HydrophobicContact CG-CD1 4.19Å; P84-I87 WeakPolarHBondContact O-CB 3.39Å; P84-I87 PolarHBondContact O-N 2.96Å; P84-I88 PolarHBondContact O-N 3.43Å
85K87.7Confident91.6Very high145 Ų14559.4 Ų59.463%0.6329%0.286SS*.Hα-helixtrans-62.4-27.5-176.7-66.6-177.5-179.31790112.2I83 I87 I88 E89I83-K85 PolarHBondContact O-N 3.33Å; K85-I87 VanDerWaalsContact C-N 3.32Å; K85-I87 PolarHBondContact O-N 3.49Å; K85-I88 PolarHBondContact O-N 3Å; K85-E89 WeakPolarHBondContact O-CB 3.24Å; K85-E89 PolarHBondContact O-N 3.42Å
86E89.3Confident91.8Very high122 Ų12256 Ų5657%0.5727%0.273SS*.Hα-helixtrans-66.3-33177.1-56.271.4-157.900111.5P84 K90P84-E86 VanDerWaalsContact CB-OE2 3.27Å; P84-E86 WeakPolarHBondContact CB-OE2 3.48Å; P84-E86 PolarHBondContact O-N 3.17Å; E86-K90 VanDerWaalsContact O-CG 3.26Å; E86-K90 WeakPolarHBondContact O-CG 3.1Å; E86-K90 PolarHBondContact O-N 3.31Å
87I90.8Very high92Very high34 Ų3456.1 Ų56.117%0.17427%0.274CS..Hα-helixtrans-74.2-42.1174.4-65.8176.8000109.9V43 I83 P84 K85 K90 L91 L208V43-I87 HydrophobicContact CG1-CG2 3.93Å; I83-I87 HydrophobicContact CG2-CB 4.31Å; I83-I87 HydrophobicContact CG2-CG2 4.26Å; P84-I87 HydrophobicContact CB-CD1 4.31Å; P84-I87 HydrophobicContact CB-CG1 4.34Å; P84-I87 HydrophobicContact CG-CD1 4.19Å; P84-I87 WeakPolarHBondContact O-CB 3.39Å; P84-I87 PolarHBondContact O-N 2.96Å; K85-I87 VanDerWaalsContact C-N 3.32Å; K85-I87 PolarHBondContact O-N 3.49Å; I87-K90 PolarHBondContact O-N 2.97Å; I87-L91 HydrophobicContact CG2-CD1 4.33Å; I87-L91 WeakPolarHBondContact O-CG 3.43Å; I87-L91 PolarHBondContact O-N 3.14Å; I87-L208 HydrophobicContact CG1-CD1 4.27Å; I87-L208 HydrophobicContact CG2-CD1 3.93Å
88I92.8Very high92.2Very high36 Ų3649.7 Ų49.719%0.18525%0.246CC..Hα-helixtrans-62.9-45.2176.7-60.9172.8000110.3L70 A73 I83 P84 K85 K90 L91 Y92 F118L70-I88 HydrophobicContact CD2-CG2 4Å; A73-I88 HydrophobicContact CB-CD1 4.49Å; A73-I88 HydrophobicContact CB-CG1 4.39Å; I83-I88 HydrophobicContact CB-CD1 4.4Å; I83-I88 HydrophobicContact CG2-CD1 4.45Å; I83-I88 HydrophobicContact CG2-CG1 4.16Å; P84-I88 PolarHBondContact O-N 3.43Å; K85-I88 PolarHBondContact O-N 3Å; I88-K90 PolarHBondContact O-N 3.08Å; I88-L91 WeakPolarHBondContact O-CB 3.34Å; I88-L91 PolarHBondContact O-N 3.17Å; I88-Y92 HydrophobicContact CG2-CD2 3.86Å; I88-Y92 HydrophobicContact CG2-CE2 3.68Å; I88-Y92 VanDerWaalsContact O-CD2 3.27Å; I88-Y92 WeakPolarHBondContact O-CD2 3.38Å; I88-Y92 PolarHBondContact O-N 3.49Å; I88-Y92 VanDerWaalsContact O-N 3.08Å; I88-F118 HydrophobicContact CG2-CE2 4.33Å
89E93.4Very high92.5Very high30 Ų3046.8 Ų46.814%0.1422%0.222CC..Hα-helixtrans-56.2-48174.4175.7169.7171.600111.6K85 L91 Y92 I93 V115 N119 N122K85-E89 WeakPolarHBondContact O-CB 3.24Å; K85-E89 PolarHBondContact O-N 3.42Å; E89-L91 PolarHBondContact O-N 2.99Å; E89-Y92 PolarHBondContact O-N 3.49Å; E89-I93 HydrophobicContact CG-CD1 3.66Å; E89-I93 WeakPolarHBondContact O-CD1 3.44Å; E89-I93 WeakPolarHBondContact O-CG1 3.38Å; E89-I93 PolarHBondContact O-N 2.8Å; E89-V115 HydrophobicContact CG-CG1 4.18Å; E89-N119 WeakPolarHBondContact OE1-CB 3.2Å; E89-N119 PolarHBondContact OE1-ND2 2.89Å; E89-N119 WeakPolarHBondContact OE2-CB 3.25Å; E89-N122 PolarHBondContact OE1-ND2 3.35Å
90K93.9Very high92.9Very high63 Ų6344.2 Ų44.227%0.27421%0.213SC..Hα-helixtrans-62.8-39.5176.8-70.7-176.6174.2-162.10113F47 E86 I87 I88 I93 N94 E205 L208F47-K90 HydrophobicContact CE2-CB 3.76Å; F47-K90 HydrophobicContact CZ-CB 4.1Å; E86-K90 VanDerWaalsContact O-CG 3.26Å; E86-K90 WeakPolarHBondContact O-CG 3.1Å; E86-K90 PolarHBondContact O-N 3.31Å; I87-K90 PolarHBondContact O-N 2.97Å; I88-K90 PolarHBondContact O-N 3.08Å; K90-I93 PolarHBondContact O-N 3.21Å; K90-N94 PolarHBondContact O-N 3.25Å; K90-E205 HydrophobicContact CB-CB 4.18Å; K90-E205 HydrophobicContact CB-CG 4.18Å; K90-E205 HydrophobicContact CD-CB 4.28Å; K90-E205 HydrophobicContact CD-CG 4.43Å; K90-E205 WeakPolarHBondContact CE-OE2 3.4Å; K90-E205 HydrophobicContact CG-CB 4.1Å; K90-E205 HydrophobicContact CG-CG 3.86Å; K90-E205 IonicContact NZ-OE2 2.88Å; K90-L208 HydrophobicContact CD-CD2 4.05Å
91L95.3Very high93Very high0 Ų039.2 Ų39.20%019%0.192CC..Hα-helixtrans-58.1-50.8175.5-83.4166.6000111.8V43 F47 Y66 A69 L70 I87 I88 E89 I93 N94 R95V43-L91 HydrophobicContact CG1-CD1 4.1Å; F47-L91 HydrophobicContact CB-CD2 4.3Å; F47-L91 HydrophobicContact CD2-CD2 3.64Å; F47-L91 HydrophobicContact CD2-CG 3.87Å; F47-L91 HydrophobicContact CG-CD2 4.45Å; Y66-L91 HydrophobicContact CD1-CD2 3.92Å; Y66-L91 HydrophobicContact CG-CD2 4.42Å; A69-L91 HydrophobicContact CB-CD1 3.86Å; A69-L91 HydrophobicContact CB-CD2 3.5Å; A69-L91 VanDerWaalsContact CB-CD2 3.5Å; A69-L91 HydrophobicContact CB-CG 4.35Å; L70-L91 HydrophobicContact CD1-CB 4.45Å; L70-L91 HydrophobicContact CD2-CB 3.83Å; L70-L91 HydrophobicContact CD2-CD1 3.89Å; L70-L91 HydrophobicContact CD2-CG 4.47Å; L70-L91 HydrophobicContact CG-CB 4.03Å; L70-L91 HydrophobicContact CG-CD1 4.11Å; I87-L91 HydrophobicContact CG2-CD1 4.33Å; I87-L91 WeakPolarHBondContact O-CG 3.43Å; I87-L91 PolarHBondContact O-N 3.14Å; I88-L91 WeakPolarHBondContact O-CB 3.34Å; I88-L91 PolarHBondContact O-N 3.17Å; E89-L91 PolarHBondContact O-N 2.99Å; L91-I93 PolarHBondContact O-N 2.98Å; L91-N94 PolarHBondContact O-N 3Å; L91-R95 PolarHBondContact O-N 3.49Å
92Y96.4Very high93.2Very high30 Ų3041.5 Ų41.512%0.11820%0.203CC..Hα-helixtrans-61.6-43.4175.7-79.5-77.7000111.6L70 I88 E89 N94 R95 I96 D111 I114 V115L70-Y92 HydrophobicContact CD1-CD1 4.25Å; L70-Y92 HydrophobicContact CD1-CD2 4.38Å; L70-Y92 HydrophobicContact CD1-CE1 4.02Å; L70-Y92 HydrophobicContact CD1-CE2 4.12Å; L70-Y92 HydrophobicContact CD1-CG 4.42Å; L70-Y92 HydrophobicContact CD2-CD2 3.94Å; L70-Y92 HydrophobicContact CD2-CE2 3.55Å; I88-Y92 HydrophobicContact CG2-CD2 3.86Å; I88-Y92 HydrophobicContact CG2-CE2 3.68Å; I88-Y92 VanDerWaalsContact O-CD2 3.27Å; I88-Y92 WeakPolarHBondContact O-CD2 3.38Å; I88-Y92 PolarHBondContact O-N 3.49Å; I88-Y92 VanDerWaalsContact O-N 3.08Å; E89-Y92 PolarHBondContact O-N 3.49Å; Y92-N94 VanDerWaalsContact C-N 3.29Å; Y92-N94 PolarHBondContact O-N 3.04Å; Y92-R95 PolarHBondContact O-N 2.94Å; Y92-I96 WeakPolarHBondContact O-CB 3.27Å; Y92-I96 VanDerWaalsContact O-CD1 3.32Å; Y92-I96 WeakPolarHBondContact O-CD1 3.14Å; Y92-I96 WeakPolarHBondContact O-CG1 3.32Å; Y92-I96 PolarHBondContact O-N 3.16Å; Y92-D111 HydrophobicContact CD1-CB 4.04Å; Y92-D111 WeakPolarHBondContact CD1-OD1 3.46Å; Y92-D111 WeakPolarHBondContact CE1-OD1 3.49Å; Y92-I114 HydrophobicContact CD1-CG2 4.34Å; Y92-I114 HydrophobicContact CD2-CG2 4.18Å; Y92-I114 HydrophobicContact CE1-CB 4.38Å; Y92-I114 HydrophobicContact CE1-CD1 3.74Å; Y92-I114 HydrophobicContact CE1-CG2 4Å; Y92-I114 HydrophobicContact CE2-CG2 3.87Å; Y92-I114 HydrophobicContact CG-CG2 4.44Å; Y92-V115 HydrophobicContact CG-CG2 4.24Å
93I95.4Very high93.2Very high2 Ų236.4 Ų36.41%0.0119%0.185CC..Hα-helixtrans-57.9-39.4178.9-70.4163.5000112.3E89 K90 L91 A97 V115 N122 K124 R128 E205E89-I93 HydrophobicContact CG-CD1 3.66Å; E89-I93 WeakPolarHBondContact O-CD1 3.44Å; E89-I93 WeakPolarHBondContact O-CG1 3.38Å; E89-I93 PolarHBondContact O-N 2.8Å; K90-I93 PolarHBondContact O-N 3.21Å; L91-I93 PolarHBondContact O-N 2.98Å; I93-A97 PolarHBondContact O-N 2.96Å; I93-V115 HydrophobicContact CD1-CG1 4.43Å; I93-V115 HydrophobicContact CG1-CG1 4.23Å; I93-V115 HydrophobicContact CG1-CG2 4.24Å; I93-N122 WeakPolarHBondContact CD1-ND2 3.39Å; I93-K124 HydrophobicContact CG2-CB 4.13Å; I93-K124 HydrophobicContact CG2-CD 4.08Å; I93-R128 PolarHBondContact O-NH1 3.31Å; I93-E205 HydrophobicContact CB-CG 4.27Å; I93-E205 HydrophobicContact CG2-CG 3.79Å
94N95.3Very high93.4Very high0 Ų040.5 Ų40.50%020%0.203CC..Hα-helixtrans-78.4-33.6179-70.66000112.4F47 N51 Y66 K90 L91 Y92 A97 C98 I204 E205F47-N94 WeakPolarHBondContact CZ-ND2 3.46Å; N51-N94 PolarHBondContact OD1-ND2 2.87Å; Y66-N94 HydrophobicContact CD1-CB 4.42Å; Y66-N94 HydrophobicContact CD2-CB 4.22Å; Y66-N94 HydrophobicContact CE1-CB 3.89Å; Y66-N94 HydrophobicContact CE2-CB 3.67Å; Y66-N94 VanDerWaalsContact CZ-CB 3.49Å; K90-N94 PolarHBondContact O-N 3.25Å; L91-N94 PolarHBondContact O-N 3Å; Y92-N94 VanDerWaalsContact C-N 3.29Å; Y92-N94 PolarHBondContact O-N 3.04Å; N94-A97 WeakPolarHBondContact O-CB 3.46Å; N94-A97 PolarHBondContact O-N 3.31Å; N94-C98 PolarHBondContact O-N 3.34Å; N94-C98 PolarHBondContact O-SG 3.16Å; N94-I204 HydrophobicContact CB-CG2 4.31Å; N94-I204 WeakPolarHBondContact OD1-CB 3.34Å; N94-E205 PolarHBondContact ND2-O 3.31Å; N94-E205 WeakPolarHBondContact OD1-CB 3.11Å; N94-E205 PolarHBondContact OD1-N 3.42Å
95R96.4Very high93.6Very high30 Ų3040.7 Ų40.711%0.11320%0.199CC..Hα-helixtrans-64.4-40.4170.5-163.717075.4-178.4-0.7112.3I63 Y66 T67 L91 Y92 A97 C98 Y99 D111I63-R95 HydrophobicContact CG1-CG 4.32Å; I63-R95 HydrophobicContact CG2-CG 4.38Å; Y66-R95 HydrophobicContact CD2-CB 4.32Å; T67-R95 VanDerWaalsContact OG1-CD 3.31Å; T67-R95 WeakPolarHBondContact OG1-CD 3.41Å; T67-R95 PolarHBondContact OG1-NH1 3.38Å; T67-R95 VanDerWaalsContact OG1-NH1 3.12Å; L91-R95 PolarHBondContact O-N 3.49Å; Y92-R95 PolarHBondContact O-N 2.94Å; R95-A97 VanDerWaalsContact C-N 3.31Å; R95-A97 PolarHBondContact O-N 2.98Å; R95-C98 WeakPolarHBondContact O-CB 3.38Å; R95-C98 PolarHBondContact O-N 2.96Å; R95-Y99 HydrophobicContact CG-CD2 4.11Å; R95-Y99 HydrophobicContact CG-CE2 3.67Å; R95-Y99 PolarHBondContact O-N 2.94Å; R95-D111 IonicContact CZ-OD1 2.85Å; R95-D111 IonicContact CZ-OD2 3.94Å; R95-D111 IonicContact NE-OD1 2.64Å; R95-D111 IonicContact NE-OD2 3.56Å; R95-D111 PolarHBondContact NE-OD2 2.97Å; R95-D111 IonicContact NH2-OD1 3.83Å; R95-D111 PolarHBondContact NH2-OD1 3.3Å; R95-D111 IonicContact NH2-OD2 2.73Å; R95-D111 PolarHBondContact NH2-OD2 2.83Å
96I96.4Very high93.8Very high1 Ų138.6 Ų38.61%0.00520%0.195CC..Hα-helixtrans-58.3-41.7171.9-67.3157.4000111Y92 C98 Y99 S100 V108 D111 C112 V115 R128Y92-I96 WeakPolarHBondContact O-CB 3.27Å; Y92-I96 VanDerWaalsContact O-CD1 3.32Å; Y92-I96 WeakPolarHBondContact O-CD1 3.14Å; Y92-I96 WeakPolarHBondContact O-CG1 3.32Å; Y92-I96 PolarHBondContact O-N 3.16Å; I96-C98 VanDerWaalsContact C-N 3.33Å; I96-C98 PolarHBondContact O-N 3.4Å; I96-Y99 PolarHBondContact O-N 3.47Å; I96-S100 VanDerWaalsContact O-CB 3.3Å; I96-S100 WeakPolarHBondContact O-CB 3.45Å; I96-S100 PolarHBondContact O-N 3.24Å; I96-V108 HydrophobicContact CG2-CG1 4.01Å; I96-V108 HydrophobicContact CG2-CG2 4.35Å; I96-D111 HydrophobicContact CD1-CB 3.83Å; I96-D111 HydrophobicContact CG1-CB 3.33Å; I96-C112 HydrophobicContact CD1-CB 4.46Å; I96-V115 HydrophobicContact CD1-CG2 3.91Å; I96-R128 HydrophobicContact CG2-CB 3.8Å; I96-R128 HydrophobicContact CG2-CG 4.33Å
97A94.6Very high94.1Very high1 Ų137.3 Ų37.31%0.00819%0.187CC..Hα-helixtrans-60.2-44.4177.300000111.4Y54 I93 N94 R95 S100 N101 I204Y54-A97 HydrophobicContact CE2-CB 3.93Å; I93-A97 PolarHBondContact O-N 2.96Å; N94-A97 WeakPolarHBondContact O-CB 3.46Å; N94-A97 PolarHBondContact O-N 3.31Å; R95-A97 VanDerWaalsContact C-N 3.31Å; R95-A97 PolarHBondContact O-N 2.98Å; A97-S100 PolarHBondContact O-N 3.17Å; A97-N101 VanDerWaalsContact O-CG 3.22Å; A97-N101 PolarHBondContact O-N 3.11Å; A97-N101 PolarHBondContact O-ND2 3.43Å; A97-N101 PolarHBondContact O-OD1 3.38Å; A97-I204 HydrophobicContact CB-CG2 3.59Å
98C95.2Very high94.3Very high0 Ų035.7 Ų35.70%018%0.179CC..Hα-helixtrans-61.2-51.2175.8-56.50000112Y54 W59 I63 N94 R95 I96 S100 N101 M102Y54-C98 VanDerWaalsContact CD2-SG 3.55Å; W59-C98 HydrophobicContact CB-CB 4.26Å; I63-C98 HydrophobicContact CD1-CB 3.6Å; I63-C98 HydrophobicContact CG1-CB 3.33Å; N94-C98 PolarHBondContact O-N 3.34Å; N94-C98 PolarHBondContact O-SG 3.16Å; R95-C98 WeakPolarHBondContact O-CB 3.38Å; R95-C98 PolarHBondContact O-N 2.96Å; I96-C98 VanDerWaalsContact C-N 3.33Å; I96-C98 PolarHBondContact O-N 3.4Å; C98-S100 PolarHBondContact O-N 3.04Å; C98-N101 PolarHBondContact O-N 3.27Å; C98-N101 VanDerWaalsContact O-N 3.1Å; C98-M102 WeakPolarHBondContact O-CG 3.44Å; C98-M102 PolarHBondContact O-N 2.86Å
99Y95.8Very high94.5Very high22 Ų2234.8 Ų34.89%0.08618%0.175CC..Hα-helixtrans-60.8-34.3177.5-69.4-41.5000112.5I63 R95 I96 M102 G103 F104 K107 D111I63-Y99 HydrophobicContact CD1-CD1 3.6Å; I63-Y99 HydrophobicContact CD1-CE1 3.59Å; I63-Y99 HydrophobicContact CD1-CG 4.48Å; I63-Y99 HydrophobicContact CG1-CD1 4.38Å; I63-Y99 HydrophobicContact CG1-CE1 4.18Å; I63-Y99 HydrophobicContact CG2-CE1 4.1Å; R95-Y99 HydrophobicContact CG-CD2 4.11Å; R95-Y99 HydrophobicContact CG-CE2 3.67Å; R95-Y99 PolarHBondContact O-N 2.94Å; I96-Y99 PolarHBondContact O-N 3.47Å; Y99-M102 PolarHBondContact O-N 3.19Å; Y99-G103 PolarHBondContact O-N 3.2Å; Y99-G103 VanDerWaalsContact O-N 3.1Å; Y99-F104 HydrophobicContact CD1-CB 4.26Å; Y99-F104 HydrophobicContact CD1-CD2 4.16Å; Y99-F104 PolarHBondContact O-N 3.48Å; Y99-K107 HydrophobicContact CD1-CB 4.31Å; Y99-K107 HydrophobicContact CD1-CD 3.98Å; Y99-K107 HydrophobicContact CD2-CB 3.75Å; Y99-K107 HydrophobicContact CD2-CD 4.46Å; Y99-K107 HydrophobicContact CE1-CB 4.48Å; Y99-K107 HydrophobicContact CE1-CD 3.52Å; Y99-K107 HydrophobicContact CE2-CB 3.93Å; Y99-K107 HydrophobicContact CE2-CD 4.05Å; Y99-K107 HydrophobicContact CG-CB 3.95Å; Y99-K107 HydrophobicContact CG-CD 4.43Å; Y99-D111 WeakPolarHBondContact CE2-OD2 3.43Å
100S94.1Very high94.6Very high23 Ų2339.2 Ų39.216%0.16120%0.195CC..Hα-helixtrans-68.7-36.3174.5-170.10000112.7I96 A97 C98 M102 G103I96-S100 VanDerWaalsContact O-CB 3.3Å; I96-S100 WeakPolarHBondContact O-CB 3.45Å; I96-S100 PolarHBondContact O-N 3.24Å; A97-S100 PolarHBondContact O-N 3.17Å; C98-S100 PolarHBondContact O-N 3.04Å; S100-M102 VanDerWaalsContact C-N 3.27Å; S100-G103 PolarHBondContact O-N 2.67Å
101N91.7Very high94.7Very high72 Ų7236.4 Ų36.439%0.38518%0.183SC..Hα-helixtrans-71.6-23.9175.2-65.9-14.4000112.3Y54 W59 A97 C98Y54-N101 PolarHBondContact OH-ND2 3.02Å; W59-N101 HydrophobicContact CD2-CB 4.03Å; W59-N101 HydrophobicContact CG-CB 4.23Å; W59-N101 WeakPolarHBondContact CH2-ND2 3.41Å; W59-N101 HydrophobicContact CZ2-CB 4.19Å; W59-N101 WeakPolarHBondContact CZ3-ND2 3.32Å; A97-N101 VanDerWaalsContact O-CG 3.22Å; A97-N101 PolarHBondContact O-N 3.11Å; A97-N101 PolarHBondContact O-ND2 3.43Å; A97-N101 PolarHBondContact O-OD1 3.38Å; C98-N101 PolarHBondContact O-N 3.27Å; C98-N101 VanDerWaalsContact O-N 3.1Å
102M92.1Very high94.7Very high57 Ų5736.4 Ų36.428%0.28118%0.183SC..THydrogen-bonded Turntrans-92.8-6.2177.5-64.1-177.282.800114.2W59 N60 I63 C98 Y99 S100 F104W59-M102 HydrophobicContact CB-CG 3.76Å; W59-M102 HydrophobicContact CB-SD 3.76Å; W59-M102 HydrophobicContact CG-CG 4.12Å; N60-M102 WeakPolarHBondContact OD1-CE 3.2Å; I63-M102 HydrophobicContact CD1-SD 3.63Å; C98-M102 WeakPolarHBondContact O-CG 3.44Å; C98-M102 PolarHBondContact O-N 2.86Å; Y99-M102 PolarHBondContact O-N 3.19Å; S100-M102 VanDerWaalsContact C-N 3.27Å; M102-F104 VanDerWaalsContact C-N 3.35Å; M102-F104 HydrophobicContact CB-CD2 3.64Å; M102-F104 HydrophobicContact CB-CE2 3.94Å; M102-F104 HydrophobicContact CE-CD2 4.42Å; M102-F104 HydrophobicContact CE-CE2 3.71Å; M102-F104 HydrophobicContact SD-CD2 4.22Å; M102-F104 HydrophobicContact SD-CE2 4.08Å
103G90.5Very high94.6Very high36 Ų3638.9 Ų38.937%0.37120%0.199SC..THydrogen-bonded Turntrans75.615-177.300000115.2Y99 S100 H105Y99-G103 PolarHBondContact O-N 3.2Å; Y99-G103 VanDerWaalsContact O-N 3.1Å; S100-G103 PolarHBondContact O-N 2.67Å; G103-H105 PolarHBondContact O-CD2 2.68Å; G103-H105 PolarHBondContact O-N 3.32Å
104F93.6Very high94.6Very high101 Ų10141.1 Ų41.144%0.44321%0.21SC..  trans-80.567177.3-70.4-56.1000111.5Y99 M102 D106 K107 V108Y99-F104 HydrophobicContact CD1-CB 4.26Å; Y99-F104 HydrophobicContact CD1-CD2 4.16Å; Y99-F104 PolarHBondContact O-N 3.48Å; M102-F104 VanDerWaalsContact C-N 3.35Å; M102-F104 HydrophobicContact CB-CD2 3.64Å; M102-F104 HydrophobicContact CB-CE2 3.94Å; M102-F104 HydrophobicContact CE-CD2 4.42Å; M102-F104 HydrophobicContact CE-CE2 3.71Å; M102-F104 HydrophobicContact SD-CD2 4.22Å; M102-F104 HydrophobicContact SD-CE2 4.08Å; F104-D106 PolarHBondContact O-N 3.46Å; F104-K107 HydrophobicContact CB-CB 4.33Å; F104-K107 HydrophobicContact CB-CD 4.49Å; F104-K107 PolarHBondContact O-N 2.98Å; F104-V108 PolarHBondContact O-N 3.44Å; F104-V108 VanDerWaalsContact O-N 3.08Å
105H94.2Very high94.6Very high49 Ų4941.1 Ų41.123%0.22721%0.21CC..Hα-helixtrans-56.1-40.9-171.3-57.9-69.4000113.9G103 V108 L109 A132 D135 L136G103-H105 PolarHBondContact O-CD2 2.68Å; G103-H105 PolarHBondContact O-N 3.32Å; H105-V108 WeakPolarHBondContact O-CB 3.4Å; H105-V108 PolarHBondContact O-N 3.05Å; H105-L109 WeakPolarHBondContact O-CG 3.27Å; H105-L109 PolarHBondContact O-N 3.32Å; H105-A132 HydrophobicContact CB-CB 4.1Å; H105-D135 VanDerWaalsContact CE1-CB 3.42Å; H105-D135 WeakPolarHBondContact CE1-CB 3.05Å; H105-D135 IonicContact CE1-OD2 3.58Å; H105-D135 PolarHBondContact CE1-OD2 3.01Å; H105-D135 IonicContact ND1-OD2 3.23Å; H105-L136 HydrophobicContact CB-CD1 3.81Å; H105-L136 HydrophobicContact CB-CD2 4.15Å; H105-L136 HydrophobicContact CB-CG 3.85Å
106D93.6Very high94.4Very high102 Ų10241 Ų4155%0.54521%0.211SC..Hα-helixtrans-67.3-38.1-179.6-64.4-67.6000112.7F104 V108 L109 E110F104-D106 PolarHBondContact O-N 3.46Å; D106-V108 VanDerWaalsContact C-N 3.34Å; D106-L109 PolarHBondContact O-N 3.05Å; D106-L109 VanDerWaalsContact O-N 3.12Å; D106-E110 PolarHBondContact O-N 3.41Å
107K94.3Very high94.2Very high94 Ų9445 Ų4541%0.40924%0.24SC..Hα-helixtrans-65.9-36.1172.6-66-167.3173.9-170.20112.3Y99 F104 L109 E110 D111Y99-K107 HydrophobicContact CD1-CB 4.31Å; Y99-K107 HydrophobicContact CD1-CD 3.98Å; Y99-K107 HydrophobicContact CD2-CB 3.75Å; Y99-K107 HydrophobicContact CD2-CD 4.46Å; Y99-K107 HydrophobicContact CE1-CB 4.48Å; Y99-K107 HydrophobicContact CE1-CD 3.52Å; Y99-K107 HydrophobicContact CE2-CB 3.93Å; Y99-K107 HydrophobicContact CE2-CD 4.05Å; Y99-K107 HydrophobicContact CG-CB 3.95Å; Y99-K107 HydrophobicContact CG-CD 4.43Å; F104-K107 HydrophobicContact CB-CB 4.33Å; F104-K107 HydrophobicContact CB-CD 4.49Å; F104-K107 PolarHBondContact O-N 2.98Å; K107-L109 VanDerWaalsContact C-N 3.32Å; K107-E110 PolarHBondContact O-N 2.84Å; K107-D111 PolarHBondContact O-N 3.36Å
108V96.3Very high93.7Very high0 Ų050.2 Ų50.20%026%0.262CS..Hα-helixtrans-58.7-44.2169.6164.90000110.6I96 F104 H105 D106 C112 R128 A132I96-V108 HydrophobicContact CG2-CG1 4.01Å; I96-V108 HydrophobicContact CG2-CG2 4.35Å; F104-V108 PolarHBondContact O-N 3.44Å; F104-V108 VanDerWaalsContact O-N 3.08Å; H105-V108 WeakPolarHBondContact O-CB 3.4Å; H105-V108 PolarHBondContact O-N 3.05Å; D106-V108 VanDerWaalsContact C-N 3.34Å; V108-C112 WeakPolarHBondContact O-CB 3.5Å; V108-C112 PolarHBondContact O-N 2.97Å; V108-C112 PolarHBondContact O-SG 3.24Å; V108-R128 HydrophobicContact CG1-CB 4.48Å; V108-A132 HydrophobicContact CB-CB 4.16Å; V108-A132 HydrophobicContact CG1-CB 3.63Å
109L95.8Very high93.4Very high17 Ų1752.3 Ų52.39%0.08927%0.274CS..Hα-helixtrans-66.7-38178.9-62-173.3000112.9H105 D106 K107 N113 K129 A132 L133 L136H105-L109 WeakPolarHBondContact O-CG 3.27Å; H105-L109 PolarHBondContact O-N 3.32Å; D106-L109 PolarHBondContact O-N 3.05Å; D106-L109 VanDerWaalsContact O-N 3.12Å; K107-L109 VanDerWaalsContact C-N 3.32Å; L109-N113 WeakPolarHBondContact O-CB 3.48Å; L109-N113 PolarHBondContact O-N 3.29Å; L109-N113 PolarHBondContact O-ND2 3.35Å; L109-N113 PolarHBondContact O-OD1 2.7Å; L109-K129 HydrophobicContact CD2-CG 4.02Å; L109-A132 HydrophobicContact CD2-CB 3.91Å; L109-A132 HydrophobicContact CG-CB 4.44Å; L109-L133 HydrophobicContact CD1-CD2 3.81Å; L109-L133 HydrophobicContact CD1-CG 4.46Å; L109-L133 HydrophobicContact CD2-CD1 4.48Å; L109-L133 HydrophobicContact CD2-CD2 4.01Å; L109-L133 HydrophobicContact CD2-CG 3.75Å; L109-L136 HydrophobicContact CD1-CD1 3.77Å
110E95.4Very high93.1Very high123 Ų12354.8 Ų54.858%0.57530%0.299SS*.Hα-helixtrans-62.8-60176.6-175.7169.9-148.800111.7D106 K107 C112 N113 I114D106-E110 PolarHBondContact O-N 3.41Å; K107-E110 PolarHBondContact O-N 2.84Å; E110-C112 VanDerWaalsContact C-N 3.29Å; E110-C112 PolarHBondContact O-N 3.21Å; E110-N113 WeakPolarHBondContact O-CA 3.43Å; E110-N113 WeakPolarHBondContact O-CB 3.4Å; E110-N113 PolarHBondContact O-N 3.29Å; E110-I114 PolarHBondContact O-N 3.01Å; E110-I114 VanDerWaalsContact O-N 3.11Å
111D95.9Very high92.7Very high4 Ų457.6 Ų57.62%0.02132%0.319CS..Hα-helixtrans-60.9-37.7178.5-80.1-10.3000111.5Y92 R95 I96 Y99 K107 N113 I114 V115Y92-D111 HydrophobicContact CD1-CB 4.04Å; Y92-D111 WeakPolarHBondContact CD1-OD1 3.46Å; Y92-D111 WeakPolarHBondContact CE1-OD1 3.49Å; R95-D111 IonicContact CZ-OD1 2.85Å; R95-D111 IonicContact CZ-OD2 3.94Å; R95-D111 IonicContact NE-OD1 2.64Å; R95-D111 IonicContact NE-OD2 3.56Å; R95-D111 PolarHBondContact NE-OD2 2.97Å; R95-D111 IonicContact NH2-OD1 3.83Å; R95-D111 PolarHBondContact NH2-OD1 3.3Å; R95-D111 IonicContact NH2-OD2 2.73Å; R95-D111 PolarHBondContact NH2-OD2 2.83Å; I96-D111 HydrophobicContact CD1-CB 3.83Å; I96-D111 HydrophobicContact CG1-CB 3.33Å; Y99-D111 WeakPolarHBondContact CE2-OD2 3.43Å; K107-D111 PolarHBondContact O-N 3.36Å; D111-N113 VanDerWaalsContact C-N 3.3Å; D111-N113 PolarHBondContact O-N 3.12Å; D111-I114 PolarHBondContact O-N 3.05Å; D111-V115 PolarHBondContact O-N 3.49Å
112C96.3Very high92.7Very high0 Ų055.1 Ų55.10%031%0.305CS..Hα-helixtrans-64.8-30.7173.5-77.10000113I96 V108 E110 L116 A125 K129I96-C112 HydrophobicContact CD1-CB 4.46Å; V108-C112 WeakPolarHBondContact O-CB 3.5Å; V108-C112 PolarHBondContact O-N 2.97Å; V108-C112 PolarHBondContact O-SG 3.24Å; E110-C112 VanDerWaalsContact C-N 3.29Å; E110-C112 PolarHBondContact O-N 3.21Å; C112-L116 VanDerWaalsContact O-CB 3.27Å; C112-L116 WeakPolarHBondContact O-CB 3.5Å; C112-L116 WeakPolarHBondContact O-CD1 3.44Å; C112-L116 WeakPolarHBondContact O-CG 3.29Å; C112-L116 PolarHBondContact O-N 3.06Å; C112-A125 PolarHBondContact SG-O 2.96Å; C112-K129 HydrophobicContact CB-CB 3.9Å; C112-K129 HydrophobicContact CB-CD 4.07Å; C112-K129 HydrophobicContact CB-CG 4.31Å
113N94.8Very high92.6Very high83 Ų8353.9 Ų53.944%0.44430%0.302SS..Hα-helixtrans-70.4-38.3174.1-70.4-28.6000111L109 E110 D111 L116 S117 K129L109-N113 WeakPolarHBondContact O-CB 3.48Å; L109-N113 PolarHBondContact O-N 3.29Å; L109-N113 PolarHBondContact O-ND2 3.35Å; L109-N113 PolarHBondContact O-OD1 2.7Å; E110-N113 WeakPolarHBondContact O-CA 3.43Å; E110-N113 WeakPolarHBondContact O-CB 3.4Å; E110-N113 PolarHBondContact O-N 3.29Å; D111-N113 VanDerWaalsContact C-N 3.3Å; D111-N113 PolarHBondContact O-N 3.12Å; N113-L116 PolarHBondContact O-N 3.05Å; N113-S117 PolarHBondContact O-N 2.92Å; N113-K129 PolarHBondContact OD1-NZ 2.81Å
114I94.4Very high92.7Very high48 Ų4853.2 Ų53.225%0.24629%0.289CS..Hα-helixtrans-60.8-54.3174.5-63.6169.5000109.9Y92 E110 D111 L116 S117 F118Y92-I114 HydrophobicContact CD1-CG2 4.34Å; Y92-I114 HydrophobicContact CD2-CG2 4.18Å; Y92-I114 HydrophobicContact CE1-CB 4.38Å; Y92-I114 HydrophobicContact CE1-CD1 3.74Å; Y92-I114 HydrophobicContact CE1-CG2 4Å; Y92-I114 HydrophobicContact CE2-CG2 3.87Å; Y92-I114 HydrophobicContact CG-CG2 4.44Å; E110-I114 PolarHBondContact O-N 3.01Å; E110-I114 VanDerWaalsContact O-N 3.11Å; D111-I114 PolarHBondContact O-N 3.05Å; I114-L116 VanDerWaalsContact C-N 3.34Å; I114-L116 PolarHBondContact O-N 2.71Å; I114-S117 WeakPolarHBondContact O-CB 3.41Å; I114-S117 PolarHBondContact O-N 3.42Å; I114-S117 PolarHBondContact O-OG 3.04Å; I114-F118 HydrophobicContact CG2-CD2 4.4Å; I114-F118 HydrophobicContact CG2-CE2 3.57Å; I114-F118 HydrophobicContact CG2-CZ 3.92Å; I114-F118 PolarHBondContact O-N 3.33Å
115V94.6Very high92.7Very high0 Ų048.4 Ų48.40%027%0.268CS..Hα-helixtrans-56.1-46177.4172.70000112.1E89 Y92 I93 I96 D111 S117 F118 N119 N122 A125E89-V115 HydrophobicContact CG-CG1 4.18Å; Y92-V115 HydrophobicContact CG-CG2 4.24Å; I93-V115 HydrophobicContact CD1-CG1 4.43Å; I93-V115 HydrophobicContact CG1-CG1 4.23Å; I93-V115 HydrophobicContact CG1-CG2 4.24Å; I96-V115 HydrophobicContact CD1-CG2 3.91Å; D111-V115 PolarHBondContact O-N 3.49Å; V115-S117 PolarHBondContact O-N 3.47Å; V115-F118 PolarHBondContact O-N 3.41Å; V115-F118 VanDerWaalsContact O-N 3.09Å; V115-N119 PolarHBondContact O-N 2.65Å; V115-N122 HydrophobicContact CG1-CB 3.93Å; V115-A125 HydrophobicContact CB-CB 4.13Å; V115-A125 HydrophobicContact CG1-CB 3.63Å
116L93.1Very high92.8Very high27 Ų2746.6 Ų46.614%0.14126%0.26CS..Hα-helixtrans-73.3-10.6-178.7-64.9170000113.6C112 N113 I114 A120 N122 A125 L126 K129C112-L116 VanDerWaalsContact O-CB 3.27Å; C112-L116 WeakPolarHBondContact O-CB 3.5Å; C112-L116 WeakPolarHBondContact O-CD1 3.44Å; C112-L116 WeakPolarHBondContact O-CG 3.29Å; C112-L116 PolarHBondContact O-N 3.06Å; N113-L116 PolarHBondContact O-N 3.05Å; I114-L116 VanDerWaalsContact C-N 3.34Å; I114-L116 PolarHBondContact O-N 2.71Å; L116-A120 WeakPolarHBondContact O-CA 3.34Å; L116-A120 PolarHBondContact O-N 3.02Å; L116-N122 HydrophobicContact CD2-CB 4.48Å; L116-A125 HydrophobicContact CD2-CB 4.11Å; L116-A125 HydrophobicContact CG-CB 4.19Å; L116-L126 HydrophobicContact CD1-CD2 3.97Å; L116-L126 HydrophobicContact CD2-CD2 3.85Å; L116-L126 HydrophobicContact CD2-CG 3.82Å; L116-K129 HydrophobicContact CD1-CD 3.47Å; L116-K129 VanDerWaalsContact CD1-CD 3.47Å
117S91.6Very high92.8Very high87 Ų8742.2 Ų42.261%0.60824%0.236SC*.Hα-helixtrans-79.8-27.2168.679.80000112.7N113 I114 V115N113-S117 PolarHBondContact O-N 2.92Å; I114-S117 WeakPolarHBondContact O-CB 3.41Å; I114-S117 PolarHBondContact O-N 3.42Å; I114-S117 PolarHBondContact O-OG 3.04Å; V115-S117 PolarHBondContact O-N 3.47Å
118F85.4Confident92.9Very high109 Ų10938 Ų3848%0.47822%0.217SC..Hα-helixtrans-86.9-45.5173-53-41000111.8I88 I114 V115I88-F118 HydrophobicContact CG2-CE2 4.33Å; I114-F118 HydrophobicContact CG2-CD2 4.4Å; I114-F118 HydrophobicContact CG2-CE2 3.57Å; I114-F118 HydrophobicContact CG2-CZ 3.92Å; I114-F118 PolarHBondContact O-N 3.33Å; V115-F118 PolarHBondContact O-N 3.41Å; V115-F118 VanDerWaalsContact O-N 3.09Å
119N88Confident92.9Very high44 Ų4440.1 Ų40.124%0.23523%0.226CC..  trans-136.489.3-176.6-178.9-2.8000110.7E89 V115 S121 N122E89-N119 WeakPolarHBondContact OE1-CB 3.2Å; E89-N119 PolarHBondContact OE1-ND2 2.89Å; E89-N119 WeakPolarHBondContact OE2-CB 3.25Å; V115-N119 PolarHBondContact O-N 2.65Å; N119-S121 PolarHBondContact O-N 3.39Å; N119-S121 PolarHBondContact OD1-N 3.47Å; N119-S121 VanDerWaalsContact OD1-N 3.16Å; N119-S121 PolarHBondContact OD1-OG 3.23Å; N119-N122 HydrophobicContact CB-CB 4.32Å; N119-N122 PolarHBondContact O-N 3.08Å; N119-N122 VanDerWaalsContact O-N 3.09Å; N119-N122 PolarHBondContact OD1-N 2.96Å
120A88.7Confident92.8Very high75 Ų7539.3 Ų39.362%0.6222%0.222SC*.THydrogen-bonded Turntrans-62.2-11.9-179.600000114.8L116L116-A120 WeakPolarHBondContact O-CA 3.34Å; L116-A120 PolarHBondContact O-N 3.02Å
121S86.6Confident92.8Very high82 Ų8236.2 Ų36.257%0.57321%0.207SC*.THydrogen-bonded Turntrans-99.81.1177.837.60000114.5N119 C123N119-S121 PolarHBondContact O-N 3.39Å; N119-S121 PolarHBondContact OD1-N 3.47Å; N119-S121 VanDerWaalsContact OD1-N 3.16Å; N119-S121 PolarHBondContact OD1-OG 3.23Å; S121-C123 PolarHBondContact O-N 2.8Å; S121-C123 PolarHBondContact O-SG 3.01Å
122N91.3Very high92.9Very high20 Ų2036 Ų3611%0.10721%0.206CC..  trans-63.2114.7-176.6-171.9-74.1000112E89 I93 V115 L116 N119 K124 A125 L126E89-N122 PolarHBondContact OE1-ND2 3.35Å; I93-N122 WeakPolarHBondContact CD1-ND2 3.39Å; V115-N122 HydrophobicContact CG1-CB 3.93Å; L116-N122 HydrophobicContact CD2-CB 4.48Å; N119-N122 HydrophobicContact CB-CB 4.32Å; N119-N122 PolarHBondContact O-N 3.08Å; N119-N122 VanDerWaalsContact O-N 3.09Å; N119-N122 PolarHBondContact OD1-N 2.96Å; N122-K124 PolarHBondContact OD1-N 3.45Å; N122-A125 HydrophobicContact CB-CB 4.06Å; N122-A125 PolarHBondContact O-N 3.03Å; N122-A125 WeakPolarHBondContact OD1-CB 3.46Å; N122-A125 PolarHBondContact OD1-N 2.84Å; N122-L126 WeakPolarHBondContact O-CB 3.4Å; N122-L126 VanDerWaalsContact O-CG 3.3Å; N122-L126 WeakPolarHBondContact O-CG 3.35Å; N122-L126 PolarHBondContact O-N 2.79Å
123C90.9Very high92.8Very high31 Ų3136.6 Ų36.621%0.20921%0.209CC..Hα-helixtrans-70.6-42.9-170.1-59.40000112.5S121 A125 L126 Y127 C149 A152 V153S121-C123 PolarHBondContact O-N 2.8Å; S121-C123 PolarHBondContact O-SG 3.01Å; C123-A125 VanDerWaalsContact C-N 3.34Å; C123-A125 PolarHBondContact O-N 3.33Å; C123-L126 PolarHBondContact O-N 3.3Å; C123-Y127 WeakPolarHBondContact O-CB 3.25Å; C123-Y127 PolarHBondContact O-N 3.34Å; C123-C149 PolarHBondContact O-SG 2.75Å; C123-C149 VanDerWaalsContact O-SG 3.34Å; C123-A152 WeakPolarHBondContact SG-CB 3.19Å; C123-V153 HydrophobicContact CB-CG2 3.78Å
124K92.3Very high92.9Very high21 Ų2132.8 Ų32.89%0.09119%0.189CC..Hα-helixtrans-63.4-40.6177.8-68.8-179174.3-179.30111.2I93 N122 R128 D203 I204 E205I93-K124 HydrophobicContact CG2-CB 4.13Å; I93-K124 HydrophobicContact CG2-CD 4.08Å; N122-K124 PolarHBondContact OD1-N 3.45Å; K124-R128 WeakPolarHBondContact O-CB 3.46Å; K124-R128 WeakPolarHBondContact O-CG 3.27Å; K124-R128 PolarHBondContact O-N 3.48Å; K124-D203 WeakPolarHBondContact CD-O 3.4Å; K124-D203 WeakPolarHBondContact CE-O 3.37Å; K124-D203 PolarHBondContact NZ-O 3.32Å; K124-I204 PolarHBondContact NZ-O 3.13Å; K124-I204 VanDerWaalsContact NZ-O 3.09Å; K124-E205 WeakPolarHBondContact CD-OE1 3.4Å; K124-E205 WeakPolarHBondContact CE-OE1 3.47Å; K124-E205 IonicContact NZ-OE1 2.83Å; K124-E205 PolarHBondContact NZ-OE1 3.24Å
125A94.3Very high92.8Very high1 Ų134.8 Ų34.81%0.00820%0.2CC..Hα-helixtrans-67.2-44.5174.400000112.4C112 V115 L116 N122 C123 Y127 K129C112-A125 PolarHBondContact SG-O 2.96Å; V115-A125 HydrophobicContact CB-CB 4.13Å; V115-A125 HydrophobicContact CG1-CB 3.63Å; L116-A125 HydrophobicContact CD2-CB 4.11Å; L116-A125 HydrophobicContact CG-CB 4.19Å; N122-A125 HydrophobicContact CB-CB 4.06Å; N122-A125 PolarHBondContact O-N 3.03Å; N122-A125 WeakPolarHBondContact OD1-CB 3.46Å; N122-A125 PolarHBondContact OD1-N 2.84Å; C123-A125 VanDerWaalsContact C-N 3.34Å; C123-A125 PolarHBondContact O-N 3.33Å; A125-Y127 PolarHBondContact O-N 3.29Å; A125-K129 WeakPolarHBondContact O-CB 3.44Å; A125-K129 PolarHBondContact O-N 3.47Å
126L94.8Very high92.7Very high10 Ų1037.5 Ų37.55%0.05221%0.214CC..Hα-helixtrans-60.9-42.2175.5-73.5170.2000112.2L116 N122 C123 S130 K148 C149L116-L126 HydrophobicContact CD1-CD2 3.97Å; L116-L126 HydrophobicContact CD2-CD2 3.85Å; L116-L126 HydrophobicContact CD2-CG 3.82Å; N122-L126 WeakPolarHBondContact O-CB 3.4Å; N122-L126 VanDerWaalsContact O-CG 3.3Å; N122-L126 WeakPolarHBondContact O-CG 3.35Å; N122-L126 PolarHBondContact O-N 2.79Å; C123-L126 PolarHBondContact O-N 3.3Å; L126-S130 WeakPolarHBondContact O-CB 3.49Å; L126-S130 PolarHBondContact O-N 3.12Å; L126-K148 HydrophobicContact CD1-CB 3.88Å; L126-K148 HydrophobicContact CD2-CB 4.22Å; L126-C149 HydrophobicContact CB-CB 3.89Å
127Y95Very high92.7Very high11 Ų1138 Ų384%0.04323%0.225CC..Hα-helixtrans-64.4-55.7176.8177.1-98.6000112.1C123 A125 K129 S130 K131 H158 V159 L162 V201 E202C123-Y127 WeakPolarHBondContact O-CB 3.25Å; C123-Y127 PolarHBondContact O-N 3.34Å; A125-Y127 PolarHBondContact O-N 3.29Å; Y127-K129 VanDerWaalsContact C-N 3.3Å; Y127-K129 PolarHBondContact O-N 3.36Å; Y127-S130 WeakPolarHBondContact O-CA 3.42Å; Y127-S130 WeakPolarHBondContact O-CB 3.43Å; Y127-S130 PolarHBondContact O-N 3.38Å; Y127-K131 HydrophobicContact CE1-CD 4.1Å; Y127-K131 PolarHBondContact O-N 3.03Å; Y127-H158 HydrophobicContact CE2-CB 3.94Å; Y127-V159 HydrophobicContact CD2-CG2 4.02Å; Y127-L162 HydrophobicContact CD2-CD2 3.87Å; Y127-L162 HydrophobicContact CE2-CB 4.19Å; Y127-L162 HydrophobicContact CE2-CD2 3.52Å; Y127-V201 HydrophobicContact CD1-CB 4Å; Y127-V201 HydrophobicContact CD1-CG2 3.56Å; Y127-V201 HydrophobicContact CD2-CB 4.36Å; Y127-V201 HydrophobicContact CD2-CG2 3.56Å; Y127-V201 HydrophobicContact CE1-CG2 3.91Å; Y127-V201 HydrophobicContact CE2-CG2 3.88Å; Y127-V201 HydrophobicContact CG-CB 3.8Å; Y127-V201 HydrophobicContact CG-CG2 3.39Å; Y127-E202 HydrophobicContact CE1-CG 3.74Å; Y127-E202 WeakPolarHBondContact CE1-OE1 3.22Å; Y127-E202 PolarHBondContact OH-OE1 3.19Å
128R94.8Very high92.8Very high6 Ų639.6 Ų39.62%0.02322%0.218CC..Hα-helixtrans-63.3-35.4-178.4-67-177.8-173.7130.96112.1I93 I96 V108 K124 K131 A132 E202 D203I93-R128 PolarHBondContact O-NH1 3.31Å; I96-R128 HydrophobicContact CG2-CB 3.8Å; I96-R128 HydrophobicContact CG2-CG 4.33Å; V108-R128 HydrophobicContact CG1-CB 4.48Å; K124-R128 WeakPolarHBondContact O-CB 3.46Å; K124-R128 WeakPolarHBondContact O-CG 3.27Å; K124-R128 PolarHBondContact O-N 3.48Å; R128-K131 PolarHBondContact O-N 2.86Å; R128-A132 PolarHBondContact O-N 2.82Å; R128-E202 PolarHBondContact NH2-O 2.66Å; R128-D203 PolarHBondContact NH2-O 2.95Å
129K96.2Very high93.3Very high43 Ų4338.4 Ų38.419%0.18721%0.211CC..Hα-helixtrans-62.1-42.5169.8-177.9168.1177.3166.20112.5L109 C112 N113 L116 A125 Y127 L133L109-K129 HydrophobicContact CD2-CG 4.02Å; C112-K129 HydrophobicContact CB-CB 3.9Å; C112-K129 HydrophobicContact CB-CD 4.07Å; C112-K129 HydrophobicContact CB-CG 4.31Å; N113-K129 PolarHBondContact OD1-NZ 2.81Å; L116-K129 HydrophobicContact CD1-CD 3.47Å; L116-K129 VanDerWaalsContact CD1-CD 3.47Å; A125-K129 WeakPolarHBondContact O-CB 3.44Å; A125-K129 PolarHBondContact O-N 3.47Å; Y127-K129 VanDerWaalsContact C-N 3.3Å; Y127-K129 PolarHBondContact O-N 3.36Å; K129-L133 HydrophobicContact CG-CD1 3.97Å; K129-L133 WeakPolarHBondContact O-CB 3.48Å; K129-L133 WeakPolarHBondContact O-CD1 3.41Å; K129-L133 WeakPolarHBondContact O-CG 3.49Å; K129-L133 PolarHBondContact O-N 2.95Å
130S95.7Very high93.5Very high0 Ų043.4 Ų43.40%023%0.231CC..Hα-helixtrans-65.1-44175.5-176.20000112L126 Y127 L133 S134 A142 V146 L166L126-S130 WeakPolarHBondContact O-CB 3.49Å; L126-S130 PolarHBondContact O-N 3.12Å; Y127-S130 WeakPolarHBondContact O-CA 3.42Å; Y127-S130 WeakPolarHBondContact O-CB 3.43Å; Y127-S130 PolarHBondContact O-N 3.38Å; S130-L133 CarbonylContact O-C 3.27Å; S130-L133 PolarHBondContact O-N 3.4Å; S130-S134 WeakPolarHBondContact O-CB 3.44Å; S130-S134 PolarHBondContact O-N 2.62Å; S130-A142 WeakPolarHBondContact CB-O 3.35Å; S130-A142 WeakPolarHBondContact O-CB 3.4Å; S130-A142 PolarHBondContact OG-O 2.97Å; S130-V146 WeakPolarHBondContact OG-CB 3.48Å; S130-L166 WeakPolarHBondContact OG-CD1 3.35Å
131K95.2Very high93.7Very high58 Ų5846.6 Ų46.625%0.25223%0.231SC..Hα-helixtrans-54.9-57.3175.9-164174.4-174.8178.50110.6Y127 R128 L133 S134 D135 L162 E202Y127-K131 HydrophobicContact CE1-CD 4.1Å; Y127-K131 PolarHBondContact O-N 3.03Å; R128-K131 PolarHBondContact O-N 2.86Å; K131-L133 VanDerWaalsContact C-N 3.32Å; K131-L133 PolarHBondContact O-N 2.88Å; K131-S134 WeakPolarHBondContact O-CA 3.43Å; K131-S134 VanDerWaalsContact O-CB 3.27Å; K131-S134 WeakPolarHBondContact O-CB 3.48Å; K131-S134 PolarHBondContact O-N 3.41Å; K131-D135 PolarHBondContact O-N 3.19Å; K131-D135 VanDerWaalsContact O-OD2 3.1Å; K131-L162 HydrophobicContact CB-CD2 4.41Å; K131-E202 IonicContact NZ-OE1 2.76Å; K131-E202 PolarHBondContact NZ-OE1 2.81Å
132A96.5Very high94.1Very high1 Ų142.7 Ų42.71%0.00820%0.203CC..Hα-helixtrans-59.3-35.6176.400000114.1H105 V108 L109 R128 L136H105-A132 HydrophobicContact CB-CB 4.1Å; V108-A132 HydrophobicContact CB-CB 4.16Å; V108-A132 HydrophobicContact CG1-CB 3.63Å; L109-A132 HydrophobicContact CD2-CB 3.91Å; L109-A132 HydrophobicContact CG-CB 4.44Å; R128-A132 PolarHBondContact O-N 2.82Å; A132-L136 WeakPolarHBondContact O-CB 3.36Å; A132-L136 VanDerWaalsContact O-CG 3.25Å; A132-L136 WeakPolarHBondContact O-CG 3.44Å; A132-L136 PolarHBondContact O-N 2.97Å
133L95.8Very high94.3Very high11 Ų1144.8 Ų44.86%0.05821%0.21CC..Hα-helixtrans-70.9-29.7173.3-73168.9000113.1L109 K129 S130 K131 G137 R138 K141 A142L109-L133 HydrophobicContact CD1-CD2 3.81Å; L109-L133 HydrophobicContact CD1-CG 4.46Å; L109-L133 HydrophobicContact CD2-CD1 4.48Å; L109-L133 HydrophobicContact CD2-CD2 4.01Å; L109-L133 HydrophobicContact CD2-CG 3.75Å; K129-L133 HydrophobicContact CG-CD1 3.97Å; K129-L133 WeakPolarHBondContact O-CB 3.48Å; K129-L133 WeakPolarHBondContact O-CD1 3.41Å; K129-L133 WeakPolarHBondContact O-CG 3.49Å; K129-L133 PolarHBondContact O-N 2.95Å; S130-L133 CarbonylContact O-C 3.27Å; S130-L133 PolarHBondContact O-N 3.4Å; K131-L133 VanDerWaalsContact C-N 3.32Å; K131-L133 PolarHBondContact O-N 2.88Å; L133-G137 PolarHBondContact O-N 2.97Å; L133-R138 HydrophobicContact CB-CB 4.42Å; L133-R138 HydrophobicContact CD2-CB 4.01Å; L133-R138 CarbonylContact O-C 3.59Å; L133-R138 WeakPolarHBondContact O-CA 3.17Å; L133-R138 WeakPolarHBondContact O-CB 3.35Å; L133-R138 PolarHBondContact O-N 2.91Å; L133-K141 HydrophobicContact CD1-CB 3.93Å; L133-K141 HydrophobicContact CD2-CB 4.37Å; L133-A142 HydrophobicContact CB-CB 3.63Å
134S95Very high94.4Very high4 Ų447.3 Ų47.33%0.02822%0.221CC..Hα-helixtrans-69.8-45.3173.7-173.80000110.4S130 K131 L136 G137 Y139 K169S130-S134 WeakPolarHBondContact O-CB 3.44Å; S130-S134 PolarHBondContact O-N 2.62Å; K131-S134 WeakPolarHBondContact O-CA 3.43Å; K131-S134 VanDerWaalsContact O-CB 3.27Å; K131-S134 WeakPolarHBondContact O-CB 3.48Å; K131-S134 PolarHBondContact O-N 3.41Å; S134-L136 PolarHBondContact O-N 3.34Å; S134-G137 PolarHBondContact O-N 2.76Å; S134-Y139 VanDerWaalsContact O-CE1 3.25Å; S134-Y139 WeakPolarHBondContact O-CE1 3.45Å; S134-K169 PolarHBondContact OG-NZ 3.01Å
135D92.9Very high94.4Very high89 Ų8946.7 Ų46.748%0.47622%0.22SC..Hα-helixtrans-65.6-39.3-179.7-55.6-30.1000111.2H105 K131 G137H105-D135 VanDerWaalsContact CE1-CB 3.42Å; H105-D135 WeakPolarHBondContact CE1-CB 3.05Å; H105-D135 IonicContact CE1-OD2 3.58Å; H105-D135 PolarHBondContact CE1-OD2 3.01Å; H105-D135 IonicContact ND1-OD2 3.23Å; K131-D135 PolarHBondContact O-N 3.19Å; K131-D135 VanDerWaalsContact O-OD2 3.1Å; D135-G137 PolarHBondContact O-N 2.96Å; D135-G137 VanDerWaalsContact O-N 3.17Å
136L93.8Very high94.4Very high58 Ų5846.6 Ų46.630%0.30422%0.22SC..THydrogen-bonded Turntrans-74.49.6170.9-67.6171.1000114.3H105 L109 A132 S134 R138H105-L136 HydrophobicContact CB-CD1 3.81Å; H105-L136 HydrophobicContact CB-CD2 4.15Å; H105-L136 HydrophobicContact CB-CG 3.85Å; L109-L136 HydrophobicContact CD1-CD1 3.77Å; A132-L136 WeakPolarHBondContact O-CB 3.36Å; A132-L136 VanDerWaalsContact O-CG 3.25Å; A132-L136 WeakPolarHBondContact O-CG 3.44Å; A132-L136 PolarHBondContact O-N 2.97Å; S134-L136 PolarHBondContact O-N 3.34Å; L136-R138 HydrophobicContact CB-CG 4.45Å; L136-R138 PolarHBondContact O-N 2.93Å; L136-R138 VanDerWaalsContact O-N 3.14Å
137G91.4Very high94.2Very high36 Ų3647.8 Ų47.837%0.37123%0.231SC..THydrogen-bonded Turntrans70.45.1176.900000115.9L133 S134 D135 Y139L133-G137 PolarHBondContact O-N 2.97Å; S134-G137 PolarHBondContact O-N 2.76Å; D135-G137 PolarHBondContact O-N 2.96Å; D135-G137 VanDerWaalsContact O-N 3.17Å; G137-Y139 PolarHBondContact O-N 2.76Å
138R95Very high94Very high122 Ų12253.6 Ų53.646%0.4626%0.256SS..  trans-83.946.9-175-64.1172.5178.3167.52.2111.7L133 L136 K140 K141 A142L133-R138 HydrophobicContact CB-CB 4.42Å; L133-R138 HydrophobicContact CD2-CB 4.01Å; L133-R138 CarbonylContact O-C 3.59Å; L133-R138 WeakPolarHBondContact O-CA 3.17Å; L133-R138 WeakPolarHBondContact O-CB 3.35Å; L133-R138 PolarHBondContact O-N 2.91Å; L136-R138 HydrophobicContact CB-CG 4.45Å; L136-R138 PolarHBondContact O-N 2.93Å; L136-R138 VanDerWaalsContact O-N 3.14Å; R138-K140 VanDerWaalsContact C-N 3.29Å; R138-K140 PolarHBondContact O-N 3.46Å; R138-K141 PolarHBondContact O-N 2.93Å; R138-A142 PolarHBondContact O-N 3.21Å; R138-A142 VanDerWaalsContact O-N 3.12Å
139Y94.7Very high93.8Very high84 Ų8453.3 Ų53.333%0.32926%0.255SS..Hα-helixtrans-51.1-37-163.6-53.1-49.1000115.6S134 G137 A142 Y143 L166 K169S134-Y139 VanDerWaalsContact O-CE1 3.25Å; S134-Y139 WeakPolarHBondContact O-CE1 3.45Å; G137-Y139 PolarHBondContact O-N 2.76Å; Y139-A142 WeakPolarHBondContact O-CB 3.42Å; Y139-A142 PolarHBondContact O-N 3.19Å; Y139-Y143 WeakPolarHBondContact O-CB 3.26Å; Y139-Y143 PolarHBondContact O-N 3.1Å; Y139-L166 HydrophobicContact CD1-CD2 3.85Å; Y139-L166 HydrophobicContact CG-CD2 4.39Å; Y139-K169 HydrophobicContact CD1-CD 3.64Å; Y139-K169 HydrophobicContact CD2-CB 4.23Å; Y139-K169 HydrophobicContact CD2-CD 4.39Å; Y139-K169 HydrophobicContact CE1-CD 3.43Å; Y139-K169 VanDerWaalsContact CE1-CD 3.43Å; Y139-K169 HydrophobicContact CE2-CD 4.22Å; Y139-K169 HydrophobicContact CG-CB 4.22Å; Y139-K169 HydrophobicContact CG-CD 4.13Å
140K92.2Very high93.4Very high149 Ų14952.9 Ų52.965%0.64826%0.258SS*.Hα-helixtrans-62-50.5176.7-174.9176.4177.4-1790111.8R138 A142 Y143 D144 L170R138-K140 VanDerWaalsContact C-N 3.29Å; R138-K140 PolarHBondContact O-N 3.46Å; K140-A142 VanDerWaalsContact C-N 3.27Å; K140-A142 PolarHBondContact O-N 3.24Å; K140-Y143 PolarHBondContact O-N 2.94Å; K140-Y143 VanDerWaalsContact O-N 3.15Å; K140-D144 PolarHBondContact O-N 3.16Å; K140-L170 HydrophobicContact CB-CD2 4.38Å
141K93.8Very high92.9Very high142 Ų14260.2 Ų60.262%0.61730%0.296SS*.Hα-helixtrans-65.8-32.5178.1-64.1-173176-175.50111.7L133 R138 A145L133-K141 HydrophobicContact CD1-CB 3.93Å; L133-K141 HydrophobicContact CD2-CB 4.37Å; R138-K141 PolarHBondContact O-N 2.93Å; K141-A145 WeakPolarHBondContact O-CB 3.21Å; K141-A145 PolarHBondContact O-N 2.98Å
142A95Very high92.1Very high0 Ų060.2 Ų60.20%031%0.307CS..Hα-helixtrans-64.6-44.5172.400000111.5S130 L133 R138 Y139 K140 A145 V146 L166S130-A142 WeakPolarHBondContact CB-O 3.35Å; S130-A142 WeakPolarHBondContact O-CB 3.4Å; S130-A142 PolarHBondContact OG-O 2.97Å; L133-A142 HydrophobicContact CB-CB 3.63Å; R138-A142 PolarHBondContact O-N 3.21Å; R138-A142 VanDerWaalsContact O-N 3.12Å; Y139-A142 WeakPolarHBondContact O-CB 3.42Å; Y139-A142 PolarHBondContact O-N 3.19Å; K140-A142 VanDerWaalsContact C-N 3.27Å; K140-A142 PolarHBondContact O-N 3.24Å; A142-A145 PolarHBondContact O-N 2.91Å; A142-V146 PolarHBondContact O-N 2.77Å; A142-L166 HydrophobicContact CB-CD1 3.66Å; A142-L166 HydrophobicContact CB-CD2 3.7Å; A142-L166 HydrophobicContact CB-CG 4.36Å
143Y94.6Very high91.5Very high64 Ų6462.4 Ų62.425%0.25132%0.32SS..Hα-helixtrans-63.8-45.2178.2-174.2-95.8000111.6Y139 K140 A145 V146 A147 T163 L166 A167 L170 F172Y139-Y143 WeakPolarHBondContact O-CB 3.26Å; Y139-Y143 PolarHBondContact O-N 3.1Å; K140-Y143 PolarHBondContact O-N 2.94Å; K140-Y143 VanDerWaalsContact O-N 3.15Å; Y143-A145 PolarHBondContact O-N 3.46Å; Y143-V146 PolarHBondContact O-N 2.94Å; Y143-A147 WeakPolarHBondContact O-CB 3.42Å; Y143-A147 PolarHBondContact O-N 3.31Å; Y143-T163 HydrophobicContact CE2-CG2 4.07Å; Y143-L166 HydrophobicContact CD2-CB 4Å; Y143-A167 HydrophobicContact CE2-CB 4Å; Y143-L170 HydrophobicContact CD1-CD1 4.37Å; Y143-L170 HydrophobicContact CD2-CD1 4.25Å; Y143-L170 HydrophobicContact CG-CD1 3.79Å; Y143-F172 AromaticContact CD1-CE2 3.91Å; Y143-F172 HydrophobicContact CD1-CE2 3.91Å; Y143-F172 HydrophobicContact CD2-CE2 4.43Å; Y143-F172 HydrophobicContact CE1-CD2 4.32Å; Y143-F172 AromaticContact CE1-CE2 3.72Å; Y143-F172 HydrophobicContact CE1-CE2 3.72Å; Y143-F172 HydrophobicContact CE2-CD2 4.23Å; Y143-F172 HydrophobicContact CE2-CE2 4.28Å; Y143-F172 HydrophobicContact CG-CE2 4.26Å; Y143-F172 AromaticContact CZ-CE2 3.92Å
144D92.9Very high90.6Very high83 Ų8365.2 Ų65.244%0.44434%0.339SS..Hα-helixtrans-59.4-32.4176.1-60.2-30.6000112.2K140 K148K140-D144 PolarHBondContact O-N 3.16Å; D144-K148 WeakPolarHBondContact O-CG 3.4Å
145A93.3Very high89.7Confident8 Ų872.7 Ų72.77%0.06637%0.374CS..Hα-helixtrans-77.5-45.9176.200000113.4K141 A142 Y143 A147 K148 C149K141-A145 WeakPolarHBondContact O-CB 3.21Å; K141-A145 PolarHBondContact O-N 2.98Å; A142-A145 PolarHBondContact O-N 2.91Å; Y143-A145 PolarHBondContact O-N 3.46Å; A145-A147 VanDerWaalsContact C-N 3.35Å; A145-K148 PolarHBondContact O-N 3.47Å; A145-C149 PolarHBondContact O-N 3.23Å; A145-C149 VanDerWaalsContact O-N 3.13Å
146V93.6Very high89.4Confident0 Ų069.4 Ų69.40%036%0.356CS..Hα-helixtrans-72.1-29.717976.50000112S130 A142 Y143 K148 C149 S150 V159 L162 T163 L166S130-V146 WeakPolarHBondContact OG-CB 3.48Å; A142-V146 PolarHBondContact O-N 2.77Å; Y143-V146 PolarHBondContact O-N 2.94Å; V146-K148 VanDerWaalsContact C-N 3.31Å; V146-K148 PolarHBondContact O-N 3.35Å; V146-C149 CarbonylContact O-C 3.55Å; V146-C149 WeakPolarHBondContact O-CB 3.46Å; V146-C149 PolarHBondContact O-N 3.09Å; V146-C149 VanDerWaalsContact O-N 3.14Å; V146-S150 VanDerWaalsContact O-CB 3.28Å; V146-S150 WeakPolarHBondContact O-CB 3.49Å; V146-S150 PolarHBondContact O-N 2.73Å; V146-V159 HydrophobicContact CG2-CG1 3.92Å; V146-L162 HydrophobicContact CG2-CB 4.31Å; V146-L162 HydrophobicContact CG2-CD2 4.14Å; V146-L162 HydrophobicContact CG2-CG 4.19Å; V146-T163 HydrophobicContact CG1-CG2 4.32Å; V146-T163 WeakPolarHBondContact CG1-OG1 3.46Å; V146-T163 VanDerWaalsContact CG2-OG1 3.31Å; V146-T163 WeakPolarHBondContact CG2-OG1 3.32Å; V146-L166 HydrophobicContact CG1-CD1 3.94Å
147A90.8Very high89.1Confident34 Ų3473.9 Ų73.928%0.28138%0.375SS..Hα-helixtrans-59.8-42.6172.100000111.2Y143 A145 S150 L151Y143-A147 WeakPolarHBondContact O-CB 3.42Å; Y143-A147 PolarHBondContact O-N 3.31Å; A145-A147 VanDerWaalsContact C-N 3.35Å; A147-S150 PolarHBondContact O-N 2.82Å; A147-L151 WeakPolarHBondContact O-CG 3.47Å; A147-L151 PolarHBondContact O-N 3.35Å; A147-L151 VanDerWaalsContact O-N 3.15Å
148K90.9Very high89Confident133 Ų13375.4 Ų75.458%0.57837%0.373SS*.Hα-helixtrans-64.3-40.4172.6-69.9-177.9179-1680112.2L126 D144 A145 V146 L151L126-K148 HydrophobicContact CD1-CB 3.88Å; L126-K148 HydrophobicContact CD2-CB 4.22Å; D144-K148 WeakPolarHBondContact O-CG 3.4Å; A145-K148 PolarHBondContact O-N 3.47Å; V146-K148 VanDerWaalsContact C-N 3.31Å; V146-K148 PolarHBondContact O-N 3.35Å; K148-L151 PolarHBondContact O-N 2.79Å
149C90.3Very high88.8Confident0 Ų069.6 Ų69.60%035%0.351CS..Hα-helixtrans-62.3-41.7174.3-166.30000112.3C123 L126 A145 V146 L151 A152 V153 V159C123-C149 PolarHBondContact O-SG 2.75Å; C123-C149 VanDerWaalsContact O-SG 3.34Å; L126-C149 HydrophobicContact CB-CB 3.89Å; A145-C149 PolarHBondContact O-N 3.23Å; A145-C149 VanDerWaalsContact O-N 3.13Å; V146-C149 CarbonylContact O-C 3.55Å; V146-C149 WeakPolarHBondContact O-CB 3.46Å; V146-C149 PolarHBondContact O-N 3.09Å; V146-C149 VanDerWaalsContact O-N 3.14Å; C149-L151 VanDerWaalsContact C-N 3.31Å; C149-L151 PolarHBondContact O-N 3.33Å; C149-A152 PolarHBondContact O-N 3.49Å; C149-A152 VanDerWaalsContact O-N 3.11Å; C149-V153 PolarHBondContact O-N 2.66Å; C149-V159 HydrophobicContact CB-CG1 4.29Å
150S88Confident88.5Confident35 Ų3569.2 Ų69.225%0.24535%0.353CS..Hα-helixtrans-67.3-26.9-179.3-173.30000112.9V146 A147 A152 P154V146-S150 VanDerWaalsContact O-CB 3.28Å; V146-S150 WeakPolarHBondContact O-CB 3.49Å; V146-S150 PolarHBondContact O-N 2.73Å; A147-S150 PolarHBondContact O-N 2.82Å; S150-A152 VanDerWaalsContact C-N 3.31Å; S150-P154 VanDerWaalsContact O-CA 3.24Å; S150-P154 WeakPolarHBondContact O-CA 3.45Å; S150-P154 VanDerWaalsContact O-CB 3.29Å; S150-P154 WeakPolarHBondContact O-CB 3.26Å
151L84.8Confident88.4Confident153 Ų15367.7 Ų67.780%0.80135%0.347SS*.Hα-helixtrans-68.1-29.4171.3-70.2172.7000113A147 K148 C149A147-L151 WeakPolarHBondContact O-CG 3.47Å; A147-L151 PolarHBondContact O-N 3.35Å; A147-L151 VanDerWaalsContact O-N 3.15Å; K148-L151 PolarHBondContact O-N 2.79Å; C149-L151 VanDerWaalsContact C-N 3.31Å; C149-L151 PolarHBondContact O-N 3.33Å
152A79.5Confident88.3Confident58 Ų5861.5 Ų61.548%0.47932%0.321SS..Hα-helixtrans-96.2-36.8-178.700000113C123 C149 S150 P154C123-A152 WeakPolarHBondContact SG-CB 3.19Å; C149-A152 PolarHBondContact O-N 3.49Å; C149-A152 VanDerWaalsContact O-N 3.11Å; S150-A152 VanDerWaalsContact C-N 3.31Å; A152-P154 VanDerWaalsContact C-CD 3.46Å; A152-P154 WeakPolarHBondContact O-CD 3.2Å
153V84.4Confident88.2Confident47 Ų4762.6 Ų62.629%0.28533%0.327SS..  trans-125.671.7176.6-161.30000110.7C123 C149 Q155 D156C123-V153 HydrophobicContact CB-CG2 3.78Å; C149-V153 PolarHBondContact O-N 2.66Å; V153-Q155 PolarHBondContact O-N 2.74Å; V153-D156 HydrophobicContact CB-CB 4.45Å; V153-D156 HydrophobicContact CG1-CB 3.63Å
154P75.7Confident87.9Confident70 Ų7064.2 Ų64.246%0.45534%0.337SS..THydrogen-bonded Turntrans-73.4-1.8-174.828.1-36000115.3S150 A152S150-P154 VanDerWaalsContact O-CA 3.24Å; S150-P154 WeakPolarHBondContact O-CA 3.45Å; S150-P154 VanDerWaalsContact O-CB 3.29Å; S150-P154 WeakPolarHBondContact O-CB 3.26Å; A152-P154 VanDerWaalsContact C-CD 3.46Å; A152-P154 WeakPolarHBondContact O-CD 3.2Å
155Q77.3Confident87.9Confident162 Ų16263.9 Ų63.976%0.75733%0.333SS*.THydrogen-bonded Turntrans-114.5-4-176.6-55.4-58.5-37.700113.8V153 E157V153-Q155 PolarHBondContact O-N 2.74Å; Q155-E157 PolarHBondContact O-N 3.08Å
156D85.9Confident87.9Confident19 Ų1963.5 Ų63.510%0.10233%0.33CS..  trans-75.4124.6179.9177.8-63.2000110.5V153 H158 V159 I160 V201V153-D156 HydrophobicContact CB-CB 4.45Å; V153-D156 HydrophobicContact CG1-CB 3.63Å; D156-H158 VanDerWaalsContact C-N 3.31Å; D156-H158 PolarHBondContact O-N 2.66Å; D156-H158 WeakPolarHBondContact OD1-CA 3.42Å; D156-H158 VanDerWaalsContact OD1-CB 3.27Å; D156-H158 WeakPolarHBondContact OD1-CB 3.34Å; D156-H158 IonicContact OD1-CD2 3.55Å; D156-H158 IonicContact OD1-CG 2.82Å; D156-H158 PolarHBondContact OD1-N 3.38Å; D156-V159 HydrophobicContact CB-CB 4.1Å; D156-V159 HydrophobicContact CB-CG2 3.78Å; D156-V159 PolarHBondContact O-N 3.48Å; D156-V159 PolarHBondContact OD1-N 2.87Å; D156-I160 VanDerWaalsContact O-CG1 3.27Å; D156-I160 WeakPolarHBondContact O-CG1 3.4Å; D156-I160 PolarHBondContact O-N 3.48Å; D156-V201 PolarHBondContact OD2-N 3.15Å; D156-V201 VanDerWaalsContact OD2-N 3.11Å
157E87.4Confident87.7Confident152 Ų15263.8 Ų63.871%0.7133%0.332SS*.Hα-helixtrans-60.5-38.8-176.1-166.4-168.3150.700112.2Q155 I160 K161Q155-E157 PolarHBondContact O-N 3.08Å; E157-I160 PolarHBondContact O-N 3.09Å; E157-K161 WeakPolarHBondContact O-CB 3.37Å; E157-K161 PolarHBondContact O-N 3.27Å
158H88.6Confident87.7Confident69 Ų6967.8 Ų67.832%0.31935%0.345SS..Hα-helixtrans-68.5-40.4179.8-51.9-112000110.5Y127 D156 L162 S200 V201 E202Y127-H158 HydrophobicContact CE2-CB 3.94Å; D156-H158 VanDerWaalsContact C-N 3.31Å; D156-H158 PolarHBondContact O-N 2.66Å; D156-H158 WeakPolarHBondContact OD1-CA 3.42Å; D156-H158 VanDerWaalsContact OD1-CB 3.27Å; D156-H158 WeakPolarHBondContact OD1-CB 3.34Å; D156-H158 IonicContact OD1-CD2 3.55Å; D156-H158 IonicContact OD1-CG 2.82Å; D156-H158 PolarHBondContact OD1-N 3.38Å; H158-L162 WeakPolarHBondContact O-CB 3.44Å; H158-L162 PolarHBondContact O-N 3.09Å; H158-S200 PolarHBondContact CD2-OG 3.45Å; H158-S200 VanDerWaalsContact CD2-OG 3.32Å; H158-S200 PolarHBondContact NE2-OG 3Å; H158-V201 HydrophobicContact CB-CG2 4.05Å; H158-E202 HydrophobicContact CB-CG 4.35Å; H158-E202 IonicContact CE1-OE2 3.19Å; H158-E202 PolarHBondContact CE1-OE2 3.32Å; H158-E202 IonicContact CG-OE2 3.54Å; H158-E202 WeakPolarHBondContact ND1-CG 3.48Å; H158-E202 IonicContact ND1-OE2 2.89Å; H158-E202 PolarHBondContact ND1-OE2 3.21Å
159V90.2Very high87.7Confident0 Ų066.3 Ų66.30%034%0.339CS..Hα-helixtrans-63.9-47.2174-179.20000110.8Y127 V146 C149 D156 T163 V201Y127-V159 HydrophobicContact CD2-CG2 4.02Å; V146-V159 HydrophobicContact CG2-CG1 3.92Å; C149-V159 HydrophobicContact CB-CG1 4.29Å; D156-V159 HydrophobicContact CB-CB 4.1Å; D156-V159 HydrophobicContact CB-CG2 3.78Å; D156-V159 PolarHBondContact O-N 3.48Å; D156-V159 PolarHBondContact OD1-N 2.87Å; V159-T163 WeakPolarHBondContact O-CB 3.4Å; V159-T163 PolarHBondContact O-N 2.73Å; V159-T163 PolarHBondContact O-OG1 2.77Å; V159-V201 HydrophobicContact CG2-CB 4.3Å; V159-V201 HydrophobicContact CG2-CG1 3.69Å; V159-V201 HydrophobicContact CG2-CG2 3.77Å
160I89.1Confident87.7Confident75 Ų7568.9 Ų68.939%0.38535%0.352SS..Hα-helixtrans-61-49.3179.1-68.6163.8000110.4D156 E157 T163 Q164D156-I160 VanDerWaalsContact O-CG1 3.27Å; D156-I160 WeakPolarHBondContact O-CG1 3.4Å; D156-I160 PolarHBondContact O-N 3.48Å; E157-I160 PolarHBondContact O-N 3.09Å; I160-T163 WeakPolarHBondContact O-CB 3.38Å; I160-T163 PolarHBondContact O-N 3.02Å; I160-Q164 WeakPolarHBondContact O-CB 3.42Å; I160-Q164 PolarHBondContact O-N 3.19Å
161K90.6Very high87.6Confident117 Ų11770.3 Ų70.351%0.50937%0.372SS..Hα-helixtrans-61.7-49.6-179.8-178.6177.7176-177.70111.9E157 T163 Q164 E165E157-K161 WeakPolarHBondContact O-CB 3.37Å; E157-K161 PolarHBondContact O-N 3.27Å; K161-T163 VanDerWaalsContact C-N 3.31Å; K161-T163 PolarHBondContact O-N 2.85Å; K161-Q164 PolarHBondContact O-N 3.33Å; K161-Q164 VanDerWaalsContact O-N 3.11Å; K161-E165 WeakPolarHBondContact CE-OE1 3.33Å; K161-E165 WeakPolarHBondContact CG-OE1 3.45Å; K161-E165 WeakPolarHBondContact O-CG 3.07Å; K161-E165 PolarHBondContact O-N 3.26Å
162L91.6Very high87.6Confident13 Ų1368 Ų687%0.06836%0.356CS..Hα-helixtrans-61.4-39.3177.6-179.159.2000111.6Y127 K131 V146 H158 L166Y127-L162 HydrophobicContact CD2-CD2 3.87Å; Y127-L162 HydrophobicContact CE2-CB 4.19Å; Y127-L162 HydrophobicContact CE2-CD2 3.52Å; K131-L162 HydrophobicContact CB-CD2 4.41Å; V146-L162 HydrophobicContact CG2-CB 4.31Å; V146-L162 HydrophobicContact CG2-CD2 4.14Å; V146-L162 HydrophobicContact CG2-CG 4.19Å; H158-L162 WeakPolarHBondContact O-CB 3.44Å; H158-L162 PolarHBondContact O-N 3.09Å; L162-L166 HydrophobicContact CD1-CD1 3.84Å; L162-L166 HydrophobicContact CD1-CG 4.2Å; L162-L166 HydrophobicContact CG-CD1 3.92Å; L162-L166 WeakPolarHBondContact O-CB 3.42Å; L162-L166 WeakPolarHBondContact O-CD1 3.27Å; L162-L166 WeakPolarHBondContact O-CG 3.32Å; L162-L166 PolarHBondContact O-N 2.89Å
163T91.8Very high87.3Confident23 Ų2375.2 Ų75.214%0.14138%0.376CS..Hα-helixtrans-61.8-43.5173.4-54.70000111.5Y143 V146 V159 I160 K161 A167Y143-T163 HydrophobicContact CE2-CG2 4.07Å; V146-T163 HydrophobicContact CG1-CG2 4.32Å; V146-T163 WeakPolarHBondContact CG1-OG1 3.46Å; V146-T163 VanDerWaalsContact CG2-OG1 3.31Å; V146-T163 WeakPolarHBondContact CG2-OG1 3.32Å; V159-T163 WeakPolarHBondContact O-CB 3.4Å; V159-T163 PolarHBondContact O-N 2.73Å; V159-T163 PolarHBondContact O-OG1 2.77Å; I160-T163 WeakPolarHBondContact O-CB 3.38Å; I160-T163 PolarHBondContact O-N 3.02Å; K161-T163 VanDerWaalsContact C-N 3.31Å; K161-T163 PolarHBondContact O-N 2.85Å; T163-A167 VanDerWaalsContact O-CB 3.26Å; T163-A167 WeakPolarHBondContact O-CB 3.5Å; T163-A167 PolarHBondContact O-N 3.35Å
164Q89.6Confident86.1Confident98 Ų9876.5 Ų76.546%0.45838%0.381SS..Hα-helixtrans-68.1-42.7179.8-168.4-177.3-19.300112.2I160 K161 A167 Q168 I174I160-Q164 WeakPolarHBondContact O-CB 3.42Å; I160-Q164 PolarHBondContact O-N 3.19Å; K161-Q164 PolarHBondContact O-N 3.33Å; K161-Q164 VanDerWaalsContact O-N 3.11Å; Q164-A167 PolarHBondContact O-N 3.12Å; Q164-Q168 WeakPolarHBondContact O-CG 3.45Å; Q164-Q168 PolarHBondContact O-N 3.25Å; Q164-I174 HydrophobicContact CG-CD1 4.05Å
165E91.9Very high84.8Confident75 Ų7584.1 Ų84.135%0.3540%0.401SS..Hα-helixtrans-62.8-45.2176.1-72.9177.3-162.700111.5K161 Q168 K169K161-E165 WeakPolarHBondContact CE-OE1 3.33Å; K161-E165 WeakPolarHBondContact CG-OE1 3.45Å; K161-E165 WeakPolarHBondContact O-CG 3.07Å; K161-E165 PolarHBondContact O-N 3.26Å; E165-Q168 WeakPolarHBondContact O-CB 3.48Å; E165-Q168 PolarHBondContact O-N 2.85Å; E165-K169 WeakPolarHBondContact O-CG 3.46Å; E165-K169 PolarHBondContact O-N 3.36Å
166L92.9Very high83.5Confident0 Ų086.1 Ų86.10%041%0.407CS..Hα-helixtrans-66.6-38176.9-73.3167.5000112.4S130 Y139 A142 Y143 V146 L162 Q168 K169 L170S130-L166 WeakPolarHBondContact OG-CD1 3.35Å; Y139-L166 HydrophobicContact CD1-CD2 3.85Å; Y139-L166 HydrophobicContact CG-CD2 4.39Å; A142-L166 HydrophobicContact CB-CD1 3.66Å; A142-L166 HydrophobicContact CB-CD2 3.7Å; A142-L166 HydrophobicContact CB-CG 4.36Å; Y143-L166 HydrophobicContact CD2-CB 4Å; V146-L166 HydrophobicContact CG1-CD1 3.94Å; L162-L166 HydrophobicContact CD1-CD1 3.84Å; L162-L166 HydrophobicContact CD1-CG 4.2Å; L162-L166 HydrophobicContact CG-CD1 3.92Å; L162-L166 WeakPolarHBondContact O-CB 3.42Å; L162-L166 WeakPolarHBondContact O-CD1 3.27Å; L162-L166 WeakPolarHBondContact O-CG 3.32Å; L162-L166 PolarHBondContact O-N 2.89Å; L166-Q168 VanDerWaalsContact C-N 3.32Å; L166-Q168 PolarHBondContact O-N 3Å; L166-K169 PolarHBondContact O-N 3.49Å; L166-L170 WeakPolarHBondContact O-CB 3.22Å; L166-L170 WeakPolarHBondContact O-CG 3.31Å; L166-L170 PolarHBondContact O-N 3.18Å
167A90.4Very high81.5Confident7 Ų789.1 Ų89.16%0.05843%0.434CS..Hα-helixtrans-63.6-35.4173.600000112.7Y143 T163 Q164 G171 F172 I174Y143-A167 HydrophobicContact CE2-CB 4Å; T163-A167 VanDerWaalsContact O-CB 3.26Å; T163-A167 WeakPolarHBondContact O-CB 3.5Å; T163-A167 PolarHBondContact O-N 3.35Å; Q164-A167 PolarHBondContact O-N 3.12Å; A167-G171 PolarHBondContact O-N 3.18Å; A167-F172 HydrophobicContact CB-CB 4.36Å; A167-F172 HydrophobicContact CB-CD2 4.29Å; A167-F172 PolarHBondContact O-N 3.47Å; A167-I174 HydrophobicContact CB-CD1 3.74Å; A167-I174 HydrophobicContact CB-CG1 3.68Å
168Q90.3Very high79.3Confident117 Ų11791.7 Ų91.755%0.54744%0.439SS..Hα-helixtrans-66.4-49.6172.5-71.7175.847.500111.1Q164 E165 L166 L170 G171 I174Q164-Q168 WeakPolarHBondContact O-CG 3.45Å; Q164-Q168 PolarHBondContact O-N 3.25Å; E165-Q168 WeakPolarHBondContact O-CB 3.48Å; E165-Q168 PolarHBondContact O-N 2.85Å; L166-Q168 VanDerWaalsContact C-N 3.32Å; L166-Q168 PolarHBondContact O-N 3Å; Q168-L170 PolarHBondContact O-N 3.05Å; Q168-G171 PolarHBondContact O-N 3.48Å; Q168-I174 HydrophobicContact CB-CD1 4.47Å; Q168-I174 HydrophobicContact CG-CD1 3.5Å
169K90.8Very high76.9Confident103 Ų10394 Ų9445%0.44846%0.457SS..Hα-helixtrans-60.4-26.6178.5-67.9-179.1-172.5-179.20113.2S134 Y139 E165 L166S134-K169 PolarHBondContact OG-NZ 3.01Å; Y139-K169 HydrophobicContact CD1-CD 3.64Å; Y139-K169 HydrophobicContact CD2-CB 4.23Å; Y139-K169 HydrophobicContact CD2-CD 4.39Å; Y139-K169 HydrophobicContact CE1-CD 3.43Å; Y139-K169 VanDerWaalsContact CE1-CD 3.43Å; Y139-K169 HydrophobicContact CE2-CD 4.22Å; Y139-K169 HydrophobicContact CG-CB 4.22Å; Y139-K169 HydrophobicContact CG-CD 4.13Å; E165-K169 WeakPolarHBondContact O-CG 3.46Å; E165-K169 PolarHBondContact O-N 3.36Å; L166-K169 PolarHBondContact O-N 3.49Å
170L90.8Very high74.4Confident54 Ų54102.5 Ų102.528%0.28349%0.489SS..THydrogen-bonded Turntrans-92.21175.6-67.4173.3000114.4K140 Y143 L166 Q168 F172K140-L170 HydrophobicContact CB-CD2 4.38Å; Y143-L170 HydrophobicContact CD1-CD1 4.37Å; Y143-L170 HydrophobicContact CD2-CD1 4.25Å; Y143-L170 HydrophobicContact CG-CD1 3.79Å; L166-L170 WeakPolarHBondContact O-CB 3.22Å; L166-L170 WeakPolarHBondContact O-CG 3.31Å; L166-L170 PolarHBondContact O-N 3.18Å; Q168-L170 PolarHBondContact O-N 3.05Å; L170-F172 VanDerWaalsContact C-N 3.27Å; L170-F172 HydrophobicContact CB-CD2 3.97Å; L170-F172 HydrophobicContact CB-CE2 3.85Å; L170-F172 HydrophobicContact CB-CG 4.4Å; L170-F172 HydrophobicContact CB-CZ 4.18Å; L170-F172 HydrophobicContact CD1-CD2 4.38Å; L170-F172 HydrophobicContact CD1-CE2 3.67Å; L170-F172 HydrophobicContact CD1-CZ 4.2Å; L170-F172 HydrophobicContact CG-CE2 4.42Å; L170-F172 PolarHBondContact O-N 2.95Å
171G86Confident71.5Confident64 Ų64103.5 Ų103.566%0.6651%0.509SS*.THydrogen-bonded Turntrans7017.4178.300000114.9A167 Q168A167-G171 PolarHBondContact O-N 3.18Å; Q168-G171 PolarHBondContact O-N 3.48Å
172F85.1Confident68.7Low106 Ų106106.5 Ų106.547%0.46553%0.525SS..  trans-70.6139.9178.2-64.8-38000111.3Y143 A167 L170 I174Y143-F172 AromaticContact CD1-CE2 3.91Å; Y143-F172 HydrophobicContact CD1-CE2 3.91Å; Y143-F172 HydrophobicContact CD2-CE2 4.43Å; Y143-F172 HydrophobicContact CE1-CD2 4.32Å; Y143-F172 AromaticContact CE1-CE2 3.72Å; Y143-F172 HydrophobicContact CE1-CE2 3.72Å; Y143-F172 HydrophobicContact CE2-CD2 4.23Å; Y143-F172 HydrophobicContact CE2-CE2 4.28Å; Y143-F172 HydrophobicContact CG-CE2 4.26Å; Y143-F172 AromaticContact CZ-CE2 3.92Å; A167-F172 HydrophobicContact CB-CB 4.36Å; A167-F172 HydrophobicContact CB-CD2 4.29Å; A167-F172 PolarHBondContact O-N 3.47Å; L170-F172 VanDerWaalsContact C-N 3.27Å; L170-F172 HydrophobicContact CB-CD2 3.97Å; L170-F172 HydrophobicContact CB-CE2 3.85Å; L170-F172 HydrophobicContact CB-CG 4.4Å; L170-F172 HydrophobicContact CB-CZ 4.18Å; L170-F172 HydrophobicContact CD1-CD2 4.38Å; L170-F172 HydrophobicContact CD1-CE2 3.67Å; L170-F172 HydrophobicContact CD1-CZ 4.2Å; L170-F172 HydrophobicContact CG-CE2 4.42Å; L170-F172 PolarHBondContact O-N 2.95Å; F172-I174 VanDerWaalsContact C-N 3.29Å; F172-I174 PolarHBondContact O-N 2.9Å
173K72.8Confident66Low208 Ų208113.8 Ų113.890%0.90456%0.563SS**  trans-74.381.8175.8-71.7-174.9177.6178.80110.7R175K173-R175 PolarHBondContact O-N 3.15Å
174I58.7Low63Low74 Ų74118.3 Ų118.338%0.37960%0.595SS.*  trans-57.6109175.8-61.7160000109.1Q164 A167 Q168 F172Q164-I174 HydrophobicContact CG-CD1 4.05Å; A167-I174 HydrophobicContact CB-CD1 3.74Å; A167-I174 HydrophobicContact CB-CG1 3.68Å; Q168-I174 HydrophobicContact CB-CD1 4.47Å; Q168-I174 HydrophobicContact CG-CD1 3.5Å; F172-I174 VanDerWaalsContact C-N 3.29Å; F172-I174 PolarHBondContact O-N 2.9Å
175R50.3Low60.4Low231 Ų231121.4 Ų121.487%0.87261%0.614SS**PPolyproline II helixtrans-71132160.5-61.8-179.9-176.9176.61.7106.6K173 A177K173-R175 PolarHBondContact O-N 3.15Å; R175-A177 PolarHBondContact O-N 3.21Å; R175-A177 VanDerWaalsContact O-N 3.16Å
176K49.2Very low57.4Low204 Ų204127.3 Ų127.389%0.88764%0.639SS**PPolyproline II helixtrans-56.7123.8168.9-73-169.2175.8-172.10108.2
177A43.9Very low54.5Low81 Ų81132.9 Ų132.967%0.66968%0.678SS**PPolyproline II helixtrans-58.7144.9165.800000108.5R175 V179R175-A177 PolarHBondContact O-N 3.21Å; R175-A177 VanDerWaalsContact O-N 3.16Å; A177-V179 PolarHBondContact O-N 2.77Å
178Y40.2Very low51.6Low206 Ų206139.1 Ų139.181%0.80872%0.715SS**  trans-7583.8173.2176.9-102.2000109R180Y178-R180 HydrophobicContact CE1-CB 4.47Å; Y178-R180 PolarHBondContact O-N 2.79Å
179V39.2Very low49.4Very low117 Ų117139.8 Ų139.871%0.70973%0.729SS**PPolyproline II helixtrans-69.9118.2168-177.60000107.2A177A177-V179 PolarHBondContact O-N 2.77Å
180R36.8Very low46.5Very low179 Ų179138.5 Ų138.568%0.67575%0.746SS**PPolyproline II helixtrans-73.8133.1170.3-164.1-179.6-158.5168.75107.3Y178 E182Y178-R180 HydrophobicContact CE1-CB 4.47Å; Y178-R180 PolarHBondContact O-N 2.79Å; R180-E182 PolarHBondContact O-N 3.34Å
181A28.1Very low43.6Very low96 Ų96144.5 Ų144.579%0.79378%0.778SS**PPolyproline II helixtrans-57.8126.5-176.800000111.4
182E32.4Very low41.5Very low181 Ų181145.2 Ų145.285%0.84679%0.785SS**PPolyproline II helixtrans-75146.1177.3-61.8-178.4135.600111.2R180R180-E182 PolarHBondContact O-N 3.34Å
183L34Very low38.8Very low165 Ų165144.8 Ų144.886%0.86480%0.801SS**  trans-92.5103.1169.5-78.9166.1000109L185L183-L185 PolarHBondContact O-N 2.99Å
184S30.4Very low36.9Very low118 Ų118141.9 Ų141.983%0.82580%0.801SS**  trans-64.2101.5174.5-176.90000110.8
185L33.6Very low35.5Very low164 Ų164147.2 Ų147.286%0.85982%0.822SS**PPolyproline II helixtrans-88.5119.6170.3-75.6169.4000109.6L183L183-L185 PolarHBondContact O-N 2.99Å
186K29.7Very low34.5Very low198 Ų198140.7 Ų140.786%0.86182%0.817SS**PPolyproline II helixtrans-74.3134.7175.9-66.7-177178.6-178.70110.5
187S32Very low33.7Very low118 Ų118136.6 Ų136.683%0.82580%0.804SS**PPolyproline II helixtrans-78.6134178.555.20000113.3
188V30.2Very low33.5Very low137 Ų137140.2 Ų140.283%0.8381%0.813SS**  trans-137.1138.8161.4179.70000106.7
189P43.4Very low34.2Very low131 Ų131134.9 Ų134.985%0.85180%0.795SS**  trans-91.1157.4-161.835.1-36.7000115.4
190G29.1Very low36Very low77 Ų77130.2 Ų130.279%0.79477%0.767SS**  trans-168.7143.5168.400000110.2
191D31Very low38.1Very low180 Ų180122 Ų12296%0.96374%0.737SS**  trans-86.5166-169.6-79.5-59.7000115.2
192G41Very low40.6Very low79 Ų79120.4 Ų120.481%0.81471%0.713SS**  trans133-7.314000000120.1
193A28.3Very low43.1Very low97 Ų97114.8 Ų114.880%0.80269%0.689SS**SBendtrans-145.1150.9178.300000113.4K195A193-K195 PolarHBondContact O-N 3.2Å
194T33.5Very low45.7Very low147 Ų147108 Ų10890%0.90265%0.653SS**PPolyproline II helixtrans-67.2117.7-171.147.80000112.6
195K28.8Very low48.4Very low185 Ų185103.9 Ų103.980%0.80462%0.621SS**PPolyproline II helixtrans-59.1135.1170.1-63.2172.7-179.3173.90110A193 L197A193-K195 PolarHBondContact O-N 3.2Å; K195-L197 PolarHBondContact O-N 2.98Å
196A29.7Very low51Low94 Ų9498.9 Ų98.978%0.77760%0.598SS**PPolyproline II helixtrans-62.6121.2155.800000107.7N198A196-N198 PolarHBondContact O-N 3.26Å
197L33.3Very low53.6Low118 Ų11891.7 Ų91.762%0.61857%0.569SS**PPolyproline II helixtrans-74.9117171.5-105.974.4000108.5K195 H199K195-L197 PolarHBondContact O-N 2.98Å; L197-H199 VanDerWaalsContact CD2-CE1 3.47Å; L197-H199 WeakPolarHBondContact CD2-CE1 3.27Å; L197-H199 PolarHBondContact O-N 3.34Å
198N38.2Very low56.1Low158 Ų15887.3 Ų87.385%0.84554%0.536SS*.  trans-67.385.8157.7-71.1-16.6000107.3A196 S200A196-N198 PolarHBondContact O-N 3.26Å; N198-S200 PolarHBondContact O-N 2.99Å; N198-S200 VanDerWaalsContact O-N 3.13Å
199H55.6Low58.3Low94 Ų9488.1 Ų88.144%0.43554%0.535SS..  trans-66.1110.2177.8-77.2-64.9000109.9L197 D203L197-H199 VanDerWaalsContact CD2-CE1 3.47Å; L197-H199 WeakPolarHBondContact CD2-CE1 3.27Å; L197-H199 PolarHBondContact O-N 3.34Å; H199-D203 WeakPolarHBondContact CA-OD2 3.46Å; H199-D203 IonicContact ND1-OD2 2.8Å
200S77.2Confident58.9Low19 Ų1987 Ų8713%0.13353%0.526CS..  trans-64.9154.2175.2172.70000110.3H158 N198 E202 D203H158-S200 PolarHBondContact CD2-OG 3.45Å; H158-S200 VanDerWaalsContact CD2-OG 3.32Å; H158-S200 PolarHBondContact NE2-OG 3Å; N198-S200 PolarHBondContact O-N 2.99Å; N198-S200 VanDerWaalsContact O-N 3.13Å; S200-E202 PolarHBondContact O-N 2.97Å; S200-E202 VanDerWaalsContact O-N 3.11Å; S200-E202 PolarHBondContact OG-N 3.26Å; S200-E202 VanDerWaalsContact OG-N 3.08Å; S200-D203 PolarHBondContact N-OD2 3.32Å; S200-D203 WeakPolarHBondContact O-CB 3.48Å; S200-D203 PolarHBondContact O-N 3.08Å
201V80.3Confident59.4Low6 Ų688.1 Ų88.14%0.03652%0.52CS..THydrogen-bonded Turntrans-59-17166.2-64.80000113.2Y127 D156 H158 V159Y127-V201 HydrophobicContact CD1-CB 4Å; Y127-V201 HydrophobicContact CD1-CG2 3.56Å; Y127-V201 HydrophobicContact CD2-CB 4.36Å; Y127-V201 HydrophobicContact CD2-CG2 3.56Å; Y127-V201 HydrophobicContact CE1-CG2 3.91Å; Y127-V201 HydrophobicContact CE2-CG2 3.88Å; Y127-V201 HydrophobicContact CG-CB 3.8Å; Y127-V201 HydrophobicContact CG-CG2 3.39Å; D156-V201 PolarHBondContact OD2-N 3.15Å; D156-V201 VanDerWaalsContact OD2-N 3.11Å; H158-V201 HydrophobicContact CB-CG2 4.05Å; V159-V201 HydrophobicContact CG2-CB 4.3Å; V159-V201 HydrophobicContact CG2-CG1 3.69Å; V159-V201 HydrophobicContact CG2-CG2 3.77Å
202E80.4Confident59.4Low63 Ų6391.1 Ų91.129%0.29452%0.518SS..THydrogen-bonded Turntrans-81.6-19.3174.2-53.6-134.986.300113.1Y127 R128 K131 H158 S200Y127-E202 HydrophobicContact CE1-CG 3.74Å; Y127-E202 WeakPolarHBondContact CE1-OE1 3.22Å; Y127-E202 PolarHBondContact OH-OE1 3.19Å; R128-E202 PolarHBondContact NH2-O 2.66Å; K131-E202 IonicContact NZ-OE1 2.76Å; K131-E202 PolarHBondContact NZ-OE1 2.81Å; H158-E202 HydrophobicContact CB-CG 4.35Å; H158-E202 IonicContact CE1-OE2 3.19Å; H158-E202 PolarHBondContact CE1-OE2 3.32Å; H158-E202 IonicContact CG-OE2 3.54Å; H158-E202 WeakPolarHBondContact ND1-CG 3.48Å; H158-E202 IonicContact ND1-OE2 2.89Å; H158-E202 PolarHBondContact ND1-OE2 3.21Å; S200-E202 PolarHBondContact O-N 2.97Å; S200-E202 VanDerWaalsContact O-N 3.11Å; S200-E202 PolarHBondContact OG-N 3.26Å; S200-E202 VanDerWaalsContact OG-N 3.08Å
203D86Confident58.9Low62 Ų6296.3 Ų96.333%0.33252%0.521SS..SBendtrans-76.2146.8-174.3-70.9-32.4000114.2K124 R128 H199 S200K124-D203 WeakPolarHBondContact CD-O 3.4Å; K124-D203 WeakPolarHBondContact CE-O 3.37Å; K124-D203 PolarHBondContact NZ-O 3.32Å; R128-D203 PolarHBondContact NH2-O 2.95Å; H199-D203 WeakPolarHBondContact CA-OD2 3.46Å; H199-D203 IonicContact ND1-OD2 2.8Å; S200-D203 PolarHBondContact N-OD2 3.32Å; S200-D203 WeakPolarHBondContact O-CB 3.48Å; S200-D203 PolarHBondContact O-N 3.08Å
204I87.8Confident58.7Low22 Ų22100.5 Ų100.511%0.11352%0.523CS..PPolyproline II helixtrans-66164.1168.353.3157.8000112.2N51 Y54 N94 A97 K124N51-I204 HydrophobicContact CB-CD1 4.48Å; Y54-I204 HydrophobicContact CD1-CD1 3.51Å; Y54-I204 HydrophobicContact CD1-CG1 3.92Å; Y54-I204 HydrophobicContact CD1-CG2 3.95Å; Y54-I204 HydrophobicContact CD2-CG2 4.01Å; Y54-I204 HydrophobicContact CE1-CB 4.36Å; Y54-I204 HydrophobicContact CE1-CD1 4.05Å; Y54-I204 HydrophobicContact CE1-CG1 3.91Å; Y54-I204 HydrophobicContact CE1-CG2 3.57Å; Y54-I204 HydrophobicContact CE2-CG2 3.64Å; Y54-I204 HydrophobicContact CG-CD1 3.97Å; Y54-I204 HydrophobicContact CG-CG2 4.16Å; Y54-I204 VanDerWaalsContact CZ-CG2 3.41Å; N94-I204 HydrophobicContact CB-CG2 4.31Å; N94-I204 WeakPolarHBondContact OD1-CB 3.34Å; A97-I204 HydrophobicContact CB-CG2 3.59Å; K124-I204 PolarHBondContact NZ-O 3.13Å; K124-I204 VanDerWaalsContact NZ-O 3.09Å
205E88.4Confident58.3Low32 Ų3298.2 Ų98.215%0.1552%0.519CS..PPolyproline II helixtrans-72.5133.8169-70.1-65.5115.600110.6F47 N51 K90 I93 N94 K124F47-E205 HydrophobicContact CZ-CB 4.12Å; N51-E205 PolarHBondContact ND2-O 3.24Å; K90-E205 HydrophobicContact CB-CB 4.18Å; K90-E205 HydrophobicContact CB-CG 4.18Å; K90-E205 HydrophobicContact CD-CB 4.28Å; K90-E205 HydrophobicContact CD-CG 4.43Å; K90-E205 WeakPolarHBondContact CE-OE2 3.4Å; K90-E205 HydrophobicContact CG-CB 4.1Å; K90-E205 HydrophobicContact CG-CG 3.86Å; K90-E205 IonicContact NZ-OE2 2.88Å; I93-E205 HydrophobicContact CB-CG 4.27Å; I93-E205 HydrophobicContact CG2-CG 3.79Å; N94-E205 PolarHBondContact ND2-O 3.31Å; N94-E205 WeakPolarHBondContact OD1-CB 3.11Å; N94-E205 PolarHBondContact OD1-N 3.42Å; K124-E205 WeakPolarHBondContact CD-OE1 3.4Å; K124-E205 WeakPolarHBondContact CE-OE1 3.47Å; K124-E205 IonicContact NZ-OE1 2.83Å; K124-E205 PolarHBondContact NZ-OE1 3.24Å
206P87.3Confident58.2Low60 Ų6095 Ų9539%0.3952%0.515SS..PPolyproline II helixtrans-69.9160.2-177.730.6-36.2000112.3F47F47-P206 WeakPolarHBondContact CE1-O 3.36Å
207D85.4Confident58.1Low47 Ų4796 Ų9625%0.25151%0.514SS..PPolyproline II helixtrans-53.2138.2-176-62.628.7000112.4N48 N51 R55 L209N48-D207 WeakPolarHBondContact OD1-CA 3.42Å; N51-D207 WeakPolarHBondContact CB-OD1 3.05Å; N51-D207 PolarHBondContact ND2-N 2.99Å; N51-D207 PolarHBondContact ND2-OD1 3.34Å; R55-D207 IonicContact CZ-OD1 3.25Å; R55-D207 IonicContact CZ-OD2 3.71Å; R55-D207 IonicContact NH1-OD1 3.99Å; R55-D207 PolarHBondContact NH1-OD1 3.47Å; R55-D207 IonicContact NH1-OD2 3.78Å; R55-D207 IonicContact NH2-OD1 2.66Å; R55-D207 PolarHBondContact NH2-OD1 2.87Å; R55-D207 IonicContact NH2-OD2 2.71Å; R55-D207 PolarHBondContact NH2-OD2 3Å; D207-L209 PolarHBondContact O-N 2.87Å
208L82.7Confident57.7Low25 Ų2596.3 Ų96.313%0.13152%0.52CS..  trans-75.8111.9-180-66.2173.2000110R44 F47 N48 I87 K90R44-L208 WeakPolarHBondContact CD-O 3.42Å; R44-L208 HydrophobicContact CG-CB 3.55Å; R44-L208 HydrophobicContact CG-CD1 4.28Å; F47-L208 HydrophobicContact CB-CD1 3.94Å; F47-L208 HydrophobicContact CD1-CB 4.31Å; F47-L208 HydrophobicContact CD1-CD1 3.79Å; F47-L208 HydrophobicContact CD1-CG 3.62Å; F47-L208 HydrophobicContact CD2-CD1 4.08Å; F47-L208 HydrophobicContact CE1-CD1 4.32Å; F47-L208 HydrophobicContact CE1-CG 3.81Å; F47-L208 HydrophobicContact CG-CD1 3.66Å; F47-L208 HydrophobicContact CG-CG 4.04Å; F47-L208 HydrophobicContact CZ-CG 4.38Å; N48-L208 PolarHBondContact ND2-O 3.1Å; N48-L208 PolarHBondContact OD1-N 3.49Å; I87-L208 HydrophobicContact CG1-CD1 4.27Å; I87-L208 HydrophobicContact CG2-CD1 3.93Å; K90-L208 HydrophobicContact CD-CD2 4.05Å
209L77.6Confident57.2Low154 Ų15494.9 Ų94.981%0.80652%0.517SS*.PPolyproline II helixtrans-64.4152.2176-60179.9000111.8D207D207-L209 PolarHBondContact O-N 2.87Å
210T55.8Low55.7Low108 Ų10895.6 Ų95.666%0.66353%0.532SS*.PPolyproline II helixtrans-72132.5168410000110.2R212T210-R212 PolarHBondContact O-N 3.11Å
211P39.9Very low53.2Low101 Ų101102.1 Ų102.166%0.65657%0.565SS**PPolyproline II helixtrans-58.2123.7165.8-22.433.5000109.2Q213P211-Q213 PolarHBondContact O-N 3.11Å; P211-Q213 VanDerWaalsContact O-N 3.15Å
212R31.3Very low50.6Low243 Ų243107.5 Ų107.592%0.91760%0.6SS**PPolyproline II helixtrans-63.5116.6165.8-87.3-174169.7-177.5-3107.5T210 E214T210-R212 PolarHBondContact O-N 3.11Å; R212-E214 PolarHBondContact O-N 3.44Å
213Q28.7Very low48Very low188 Ų188108.9 Ų108.988%0.87962%0.622SS**PPolyproline II helixtrans-56.4129.7165.8-71.3174.7-26.900108.4P211 A215P211-Q213 PolarHBondContact O-N 3.11Å; P211-Q213 VanDerWaalsContact O-N 3.15Å; Q213-A215 PolarHBondContact O-N 2.84Å
214E24.3Very low45.2Very low184 Ų184112 Ų11286%0.8665%0.646SS**PPolyproline II helixtrans-67.8118.1169.7-65.5-168.1132.400107.9R212 V216R212-E214 PolarHBondContact O-N 3.44Å; E214-V216 VanDerWaalsContact C-N 3.31Å; E214-V216 PolarHBondContact O-N 3.07Å
215A25.3Very low42.2Very low99 Ų99116 Ų11682%0.81868%0.675SS**  trans-7386.2-176.900000110.3Q213Q213-A215 PolarHBondContact O-N 2.84Å
216V26.2Very low39.1Very low119 Ų119124.1 Ų124.172%0.72171%0.711SS**  trans-56.9127.5163.5-177.40000107.6E214 V218E214-V216 VanDerWaalsContact C-N 3.31Å; E214-V216 PolarHBondContact O-N 3.07Å; V216-V218 PolarHBondContact O-N 2.72Å
217P27.6Very low36.1Very low115 Ų115127.3 Ų127.375%0.74774%0.735SS**  trans-71.497.4-176.527.9-34.2000110.4V219P217-V219 PolarHBondContact O-N 2.74Å
218V25.6Very low33.4Very low123 Ų123133.7 Ų133.775%0.74576%0.763SS**  trans-67.3115.1171.6177.60000108.7V216 S220V216-V218 PolarHBondContact O-N 2.72Å; V218-S220 PolarHBondContact O-N 3.3Å
219V27.3Very low30.6Very low129 Ų129140.4 Ų140.478%0.78279%0.793SS**  trans-72.3106.6171.4176.10000108.5P217P217-V219 PolarHBondContact O-N 2.74Å
220S24.2Very low28.3Very low108 Ų108140.1 Ų140.176%0.75580%0.798SS**  trans-82117.6175.8-60.90000111.3V218V218-S220 PolarHBondContact O-N 3.3Å
221L24.7Very low26.8Very low156 Ų156138.3 Ų138.382%0.81780%0.801SS**  trans-105.8150.9157.6-82.7167.3000109.3
222P27.2Very low26.2Very low120 Ų120139.5 Ų139.578%0.77981%0.811SS**PPolyproline II helixtrans-83.7145.9-153.231.2-36.8000115.1
223A23.8Very low26Very low92 Ų92136.2 Ų136.276%0.7681%0.806SS**PPolyproline II helixtrans-86.5155.1157.300000110
224P28.2Very low26.1Very low127 Ų127135.6 Ų135.683%0.82581%0.808SS**PPolyproline II helixtrans-78.2156.4-164.130.1-36.4000115.1
225S23.8Very low26.1Very low105 Ų105130.8 Ų130.873%0.73480%0.8SS**PPolyproline II helixtrans-75.6130.4179.553.30000113.9
226F25.4Very low26.3Very low203 Ų203131 Ų13189%0.8980%0.795SS**  trans-151116.6147.6-86.2-67.5000110.8
227S24.2Very low26.4Very low127 Ų127132.1 Ų132.189%0.88880%0.802SS**  trans-163139159.5-79.40000108.1
228H27.6Very low27.1Very low182 Ų182132 Ų13284%0.84380%0.801SS**  trans-82.4161.8-174.9-105.3-90000113.1
229E23.9Very low27.1Very low165 Ų165132.6 Ų132.677%0.77181%0.805SS**  trans-63.3143.2174-52150.7114.800112.3
230V29.1Very low27.1Very low149 Ų149134.5 Ų134.590%0.90381%0.807SS**  -144.7134112.6-177.30000106.7
231G25Very low28Very low70 Ų70134.2 Ų134.272%0.72280%0.802SS**  trans-115.6175.8178.400000113.5
232S27.5Very low28.1Very low125 Ų125134 Ų13487%0.87480%0.801SS**  trans-156.2134.4151.9-167.50000109
233E26.9Very low27.9Very low175 Ų175133.9 Ų133.982%0.81880%0.799SS**  trans-87.7159.5178.5-57.2-175.2124.600111.8
234L29.6Very low28Very low175 Ų175134.7 Ų134.792%0.91680%0.799SS**  -172.3149.9112.5-98.5162.5000111.7
235A26Very low27.8Very low83 Ų83136.9 Ų136.969%0.68680%0.802SS**  trans-83.3169.8-177.400000111.7
236S27.7Very low28Very low102 Ų102139.1 Ų139.171%0.71381%0.805SS**  -174.512064.2-61.80000114.5
237V29.6Very low28.7Very low143 Ų143134.4 Ų134.487%0.86779%0.794SS**  trans44.7168.2137.1-88.70000122.1
238P41.8Very low28.6Very low113 Ų113135.4 Ų135.473%0.73479%0.789SS**  trans-124-167.1-143.946.8-35.2000115.3
239V25.6Very low28.6Very low135 Ų135134.2 Ų134.282%0.81878%0.784SS**  trans175.3158.8137.3146.20000112
240M26.9Very low28.6Very low170 Ų170131.6 Ų131.684%0.83778%0.779SS**  trans-140.9-168.2170.1-42.9-177.67100109.1
241P44.7Very low28.3Very low101 Ų101133 Ų13366%0.65678%0.775SS**  cis-137.8-176.6-21.329.9-6.5000115.5
242L25.5Very low28.2Very low151 Ų151138.1 Ų138.179%0.79178%0.781SS**  trans77.7130.5140.5-83.8163.2000125.9
243T23.8Very low28Very low119 Ų119136.8 Ų136.873%0.7377%0.771SS**  trans71.2115.4142.338.50000126.7
244S25.5Very low27.7Very low109 Ų109135.3 Ų135.376%0.76278%0.775SS**  55.8136.5114.7-160.10000124.2
245I24.7Very low27.4Very low173 Ų173134.8 Ų134.889%0.88777%0.772SS**  trans-169.8164.5138.8-102.9157.7000112.7
246L27.6Very low28.1Very low151 Ų151136.9 Ų136.979%0.79178%0.778SS**  trans-121.1170-171.2-122.1170.2000111.5
247P38.7Very low28Very low104 Ų104137.4 Ų137.468%0.67578%0.782SS**  -164.2155.996.441.4-20.1000121.3
248L24.1Very low27.9Very low149 Ų149135 Ų13578%0.7878%0.777SS**  trans54.9155.7133.3-62174.4000123.1
249Q27.1Very low27.2Very low157 Ų157135.9 Ų135.973%0.73478%0.78SS**  cis-171.4-174.4-20.1-154.9-176.7-15.600106.2
250V24Very low27.2Very low110 Ų110137.3 Ų137.367%0.66778%0.782SS**  cis-153.4152.27.2-155.50000108.2
251E22.3Very low27.2Very low177 Ų177132.8 Ų132.883%0.82777%0.772SS**  150164.8105.4-101.8-171.9-16600107.3
252E22.2Very low26.2Very low179 Ų179136.1 Ų136.184%0.83678%0.784SS**  cis-153.3-172.9-45.7-175.7146.8-13800107.5
253S23.1Very low26Very low96 Ų96132.7 Ų132.767%0.67179%0.785SS**  trans-143.7162.2-163.573.60000115.7
254T21.1Very low25.9Very low145 Ų145130.7 Ų130.789%0.8979%0.788SS**  trans178.7172.1135.525.90000115.1
255L24.2Very low25.8Very low164 Ų164135.9 Ų135.986%0.85980%0.797SS**  trans-108.9-173179.3-75.9169.2000109.9
256P40.3Very low26.1Very low126 Ų126134.9 Ų134.982%0.81879%0.791SS**  cis-146.4-14020.445-20.6000116.3
257S24.8Very low26.3Very low114 Ų114133.5 Ų133.580%0.79779%0.791SS**  trans-128.3164.3-158.4-52.50000116.6
258A27.8Very low25.6Very low91 Ų91137 Ų13775%0.75280%0.796SS**  trans114.1110.4136.300000122.3
259V26.9Very low25.7Very low133 Ų133136.2 Ų136.281%0.80680%0.797SS**  trans59.3119.8132.1-173.40000122
260L26.4Very low25.8Very low164 Ų164134.7 Ų134.786%0.85979%0.792SS**  -173.7141.9119-101.9175.7000116.2
261A25.5Very low26.7Very low76 Ų76134.5 Ų134.563%0.62879%0.793SS**  trans39.2129.4150.300000125.9
262N24.8Very low27Very low170 Ų170133.9 Ų133.991%0.90979%0.79SS**  trans57.7132.6137.2-65.5-12.8000123.5
263G22.1Very low27.4Very low79 Ų79128.5 Ų128.581%0.81478%0.776SS**  127.353.7119.600000123.4
264G21.2Very low27.5Very low77 Ų77132.8 Ų132.879%0.79478%0.783SS**  trans68.8153.2136.800000123.8
265K22.5Very low27.9Very low218 Ų218133.9 Ų133.995%0.94878%0.782SS**  trans84.3120.2166.4-64.1-169.4174.1-174.90120.2
266M31.9Very low28.2Very low153 Ų153133.1 Ų133.175%0.75478%0.779SS**  trans-74.2169.7156.5-59.7-76.7-149.300110.8F268M266-F268 HydrophobicContact CB-CD2 3.88Å; M266-F268 HydrophobicContact CG-CD2 4.29Å; M266-F268 HydrophobicContact CG-CE2 4.49Å
267P30.9Very low27.7Very low122 Ų122134.9 Ų134.979%0.79278%0.782SS**  -132148.789.138.1-28.5000112.9
268F25.3Very low27.9Very low176 Ų176133.1 Ų133.177%0.77278%0.782SS**  cis71.9120.247.1-91.2-76000116.2M266M266-F268 HydrophobicContact CB-CD2 3.88Å; M266-F268 HydrophobicContact CG-CD2 4.29Å; M266-F268 HydrophobicContact CG-CE2 4.49Å
269T26Very low27.9Very low133 Ų133136.3 Ų136.382%0.81679%0.786SS**  trans176.8160.1131.632.40000109.1
270M28Very low27.9Very low125 Ų125137.3 Ų137.362%0.61678%0.784SS**  cis-175.1-177.1-19.9-95.3-76.3-105.800106.3E272M270-E272 HydrophobicContact CE-CB 4.27Å; M270-E272 HydrophobicContact CE-CG 4.24Å; M270-E272 WeakPolarHBondContact CE-OE1 3.3Å; M270-E272 WeakPolarHBondContact CE-OE2 3.48Å; M270-E272 HydrophobicContact SD-CB 4.19Å; M270-E272 HydrophobicContact SD-CG 4.48Å
271P42.8Very low28Very low107 Ų107134.9 Ų134.970%0.69578%0.775SS**  cis-111.5161.3-19.87.217.9000112.1
272E28.7Very low28.1Very low163 Ų163138.9 Ų138.976%0.76279%0.786SS**  84.1146.251.4-140.8-178.5-148.700112.5M270M270-E272 HydrophobicContact CE-CB 4.27Å; M270-E272 HydrophobicContact CE-CG 4.24Å; M270-E272 WeakPolarHBondContact CE-OE1 3.3Å; M270-E272 WeakPolarHBondContact CE-OE2 3.48Å; M270-E272 HydrophobicContact SD-CB 4.19Å; M270-E272 HydrophobicContact SD-CG 4.48Å
273A32.1Very low28.2Very low66 Ų66133.3 Ų133.355%0.54577%0.768SS.*  cis-128.1-156.5400000110.3
274F23.8Very low28.4Very low187 Ų187136.3 Ų136.382%0.8277%0.765SS**  cis-148132.35.7-87.9-62.5000107.7
275L29Very low28.7Very low167 Ų167140.2 Ų140.287%0.87476%0.763SS**  79.5161.4101-72.8-172.9000119.2
276D31.6Very low29Very low148 Ų148136.1 Ų136.179%0.79175%0.751SS**  trans-152.2145.8-156.7173.934.6000109.1
277D30.6Very low28.9Very low163 Ų163135.7 Ų135.787%0.87275%0.751SS**  trans166.5162.2152.4-116.3-37.9000112.8
278G28.3Very low29.1Very low77 Ų77137 Ų13779%0.79475%0.752SS**  trans117117.9150.200000118.4
279D27.9Very low29.5Very low159 Ų159135.6 Ų135.685%0.8575%0.752SS**  trans-105.7174.7-177.7-159.1-6000112.7
280M27Very low29.7Very low154 Ų154136.3 Ų136.376%0.75975%0.75SS**  trans87.9124.5156.8-71.1-158.2-6100124
281V28.6Very low29.7Very low112 Ų112137 Ų13768%0.67976%0.756SS**  87.2119.2124.7168.90000121.3
282L27.5Very low29.1Very low161 Ų161137.8 Ų137.884%0.84376%0.764SS**  trans60.1157.6161.9-66.7165.3000116.4
283G26.7Very low29.4Very low52 Ų52134.1 Ų134.154%0.53676%0.762SS.*  cis138.3142.51.200000109.8
284D26.9Very low29.9Very low142 Ų142137.3 Ų137.376%0.75978%0.776SS**  trans65.9156.9169.3-43.2-32000114.7
285E27.3Very low30.3Very low160 Ų160136.5 Ų136.575%0.74878%0.775SS**  cis-156170.2-21.1-120.1-179.5160.900109.2
286L27.2Very low30.5Very low131 Ų131134.3 Ų134.369%0.68677%0.769SS**  trans51.9137154.1-96.658.6000123.2
287D30.7Very low30.5Very low144 Ų144133.1 Ų133.177%0.7776%0.763SS**  22.1103124.4-54.2-13.8000119
288D35Very low30.5Very low151 Ų151132.6 Ų132.681%0.80776%0.755SS**  trans-170.5138.8134.5-99-10.1000107.8
289L34.5Very low30.6Very low146 Ų146134 Ų13476%0.76475%0.748SS**  cis-149.5168.8-6.6-131.2161.3000109.3
290L29.1Very low30.5Very low147 Ų147132.1 Ų132.177%0.7774%0.742SS**  trans-80.3-174.4179.1-82.6159.8000112.8
291D28.8Very low30.3Very low141 Ų141132.8 Ų132.875%0.75475%0.746SS**  trans78.2139.6166.5-54.2-30.2000116.7
292S30.6Very low31.4Very low122 Ų122132.1 Ų132.185%0.85374%0.743SS**  cis-134.3136.127.6-56.50000115.4
293A33.3Very low31.3Very low87 Ų87130 Ų13072%0.71974%0.743SS**  trans-144.8131.6151.700000108.9
294P43.2Very low31.2Very low132 Ų132131.4 Ų131.486%0.85775%0.749SS**  trans-93.2160.2174.635.1-32.3000112.7
295E32.9Very low31.2Very low170 Ų170132.5 Ų132.579%0.79475%0.753SS**  trans-102.6175.5-159.1-53.2176.2116.200115.4
296T32.8Very low31.1Very low121 Ų121130.3 Ų130.374%0.74275%0.751SS**  trans140.8137.2131.654.60000112.2
297N31.5Very low31Very low123 Ų123135.6 Ų135.666%0.65876%0.762SS**  cis-160152.7-11.1-116.2-2.2000111.7
298E31.6Very low30.6Very low152 Ų152132 Ų13271%0.7176%0.759SS**  trans62148.5147.3-63.1-73.569.500120.2
299T28.5Very low30.8Very low107 Ų107131.3 Ų131.366%0.65676%0.763SS**  cis-151141.59.33.80000112.9
300V25.7Very low30.5Very low119 Ų119131.8 Ų131.872%0.72177%0.765SS**  trans49.7115.1138.1-179.80000120.1
301M24.3Very low30.4Very low169 Ų169133 Ų13383%0.83377%0.767SS**  cis73.5160.238-70.4-64.4-160.200116.5
302P51.6Low30.3Very low97 Ų97131.8 Ų131.863%0.6377%0.765SS**  cis-144.9-174.7-35.340.2-22.5000116.3
303S25.2Very low30.1Very low118 Ų118130.6 Ų130.683%0.82576%0.762SS**  trans74160.8145.7-63.90000119.6
304A25.4Very low29.8Very low80 Ų80131.4 Ų131.466%0.66176%0.763SS**  cis-156.7171.210.200000114.3
305L25.7Very low29Very low165 Ų165131.8 Ų131.886%0.86476%0.762SS**  trans67.5160.3152.1-63165.3000120
306V25.8Very low28.7Very low114 Ų114128.6 Ų128.669%0.69176%0.759SS**  cis-164.4146-45.4104.40000111.2
307R25.6Very low29.4Very low242 Ų242127.9 Ų127.991%0.91376%0.756SS**  trans56.2150.2166.6-72.2178172.1164.8-1.7119.9
308G22.1Very low29Very low70 Ų70127.6 Ų127.672%0.72276%0.764SS**  trans-93-158.6169.500000113.2
309P39.3Very low29.1Very low135 Ų135128.7 Ų128.788%0.87777%0.771SS**  cis-139.1-136.534.842.8-22000116
310L28Very low29.7Very low157 Ų157128.3 Ų128.382%0.82277%0.77SS**  trans-103.4177.9-154.4-69.7155.5000116.1
311Q26Very low29.8Very low172 Ų172132.1 Ų132.180%0.80478%0.778SS**  trans94.9150.7155-56.3-162.248.100117.7
312T27.3Very low29.9Very low116 Ų116129.4 Ų129.471%0.71278%0.775SS**  cis-165.7173.9-22.933.70000109
313A27Very low28.7Very low96 Ų96129 Ų12979%0.79378%0.78SS**  trans70.2160.7161.300000118.1
314S26.4Very low28.9Very low105 Ų105128.5 Ų128.573%0.73478%0.777SS**  cis-168.4158.8-27.156.60000112.6
315V26.3Very low28.9Very low140 Ų140133 Ų13385%0.84879%0.789SS**  trans72.5159.6158.1174.20000118.8
316S26.4Very low29.1Very low102 Ų102132.8 Ų132.871%0.71379%0.787SS**  trans-96.6-168.7-17456.40000111.3
317P47.4Very low29.1Very low107 Ų107130.8 Ų130.870%0.69579%0.79SS**  cis-145.3-161.812.745.6-24.2000117.3
318S24.2Very low29.2Very low116 Ų116124.7 Ų124.781%0.81178%0.78SS**  trans92.9151.6153.674.50000121.6
319M32.9Very low29.6Very low175 Ų175129.3 Ų129.386%0.86279%0.787SS**  trans-104.7174.2175.8-73.2-90.1-81.900108.1
320P41.9Very low29.5Very low100 Ų100127.7 Ų127.765%0.64978%0.777SS**  cis-157.1-171.731.446.5-24000119.9
321F27.1Very low29.5Very low198 Ų198128.3 Ų128.387%0.86878%0.779SS**  trans48.5119.8147.5-77-60.1000124.6
322S26.4Very low29.4Very low112 Ų112123.2 Ų123.278%0.78377%0.773SS**  -172.1137.5120.334.60000107.7
323A26Very low29.4Very low89 Ų89122.6 Ų122.674%0.73678%0.78SS**  63.2136.754.300000113.1
324S28.9Very low29.4Very low107 Ų107128.7 Ų128.775%0.74878%0.782SS**  cis-174.3159-14.2-88.60000106.9
325L26.2Very low29.4Very low176 Ų176133.1 Ų133.192%0.92178%0.784SS**  trans-177.6163.7140.9-104.1165.3000114.3
326L30.6Very low29.3Very low159 Ų159130.8 Ų130.883%0.83278%0.779SS**  trans-114161.2-175.1-85.1145.8000111.9
327G24.6Very low29.6Very low73 Ų73131.8 Ų131.875%0.75378%0.784SS**  trans-151.2139.1164.100000110.2
328T27.8Very low29.8Very low114 Ų114132 Ų13270%0.69979%0.785SS**  trans-139130.1-160.652.90000115.3
329L30.5Very low29.9Very low166 Ų166132.6 Ų132.687%0.86979%0.786SS**  trans66.1174150.1-72.3173.2000116.1
330P37.2Very low29.7Very low102 Ų102129.5 Ų129.566%0.66278%0.782SS**  cis-143.1174.915.745.6-27.1000119.8
331I28.2Very low28.8Very low169 Ų169133.8 Ų133.887%0.86779%0.791SS**  trans58.4138.1146.8-68.8157.7000120
332G25.2Very low28.6Very low66 Ų66128.3 Ų128.368%0.6878%0.777SS**  cis162.7158-9.900000116
333A26.8Very low28.5Very low103 Ų103129 Ų12985%0.85177%0.768SS**  trans52.2136.2156.100000124
334R25.8Very low28.4Very low223 Ų223132.5 Ų132.584%0.84277%0.767SS**  -176.2134.1114.6-96.3-169.4-177.6-147.6-0.8114.8
335Y27.2Very low28.1Very low199 Ų199137.1 Ų137.178%0.7877%0.769SS**  trans22.6122.7159.5-52.5-82.7000121.6
336A23.5Very low28.6Very low90 Ų90133.8 Ų133.874%0.74476%0.758SS**  67.8147.756.200000115.5
337P33.8Very low29.1Very low124 Ų124131.2 Ų131.281%0.80575%0.751SS**  cis-135.6-150.8-4.647.8-27.8000112.8
338P50.7Low29Very low112 Ų112134.7 Ų134.773%0.72775%0.751SS**  trans-109-163.2-168.944-35.4000115.2
339P26.8Very low28.8Very low127 Ų127135.3 Ų135.383%0.82576%0.755SS**  -139.4177.411540.9-30.2000115.9
340S28.4Very low28.5Very low110 Ų110132.9 Ų132.977%0.76975%0.752SS**  trans-143.9-176.3174.3-174.20000109.6
341F24.1Very low27.8Very low191 Ų191133 Ų13384%0.83876%0.755SS**  trans88.8151.5-175.7-74.2-101.7000116.9
342S22.9Very low27.7Very low83 Ų83131.2 Ų131.258%0.5875%0.747SS**  cis157.7149.2-40-171.40000110
343E23.8Very low27.8Very low127 Ų127135 Ų13559%0.59375%0.747SS**  trans62.8172.5162.5-74.2146.2120.200118.3
344F22.6Very low27.7Very low162 Ų162135.5 Ų135.571%0.71174%0.735SS**  cis-143.5108.92.7-114.1-54000113
345Y23.1Very low27.6Very low203 Ų203134.4 Ų134.480%0.79674%0.737SS**  trans56.4-165.8138.4-80-109.4000119.9
346P37Very low27.4Very low107 Ų107129.9 Ų129.970%0.69573%0.733SS**  -132.9-146.5-84.146.8-28.7000112
347P40.5Very low27.6Very low105 Ų105131 Ų13168%0.68274%0.735SS**  cis-135.9-153.6-13.939.6-17.6000114.8
348L23.4Very low27.1Very low146 Ų146130.3 Ų130.376%0.76473%0.733SS**  trans88.9106.8174.2-50.6-177.9000115
349T23.2Very low25.8Very low127 Ų127131.5 Ų131.578%0.77973%0.733SS**  69.6136.660.369.10000114.1
350S24.1Very low25.7Very low114 Ų114131.8 Ų131.880%0.79773%0.728SS**  cis-149.7156.911.750.40000111.7
351S23.4Very low25.4Very low104 Ų104131 Ų13173%0.72772%0.722SS**  -173.4124.696.9-179.40000109
352L26.1Very low25.2Very low133 Ų133131.9 Ų131.970%0.69673%0.726SS**  69.712480.1-124.878.8000113.5
353E27.3Very low25.3Very low146 Ų146132.6 Ų132.668%0.68273%0.731SS**  cis-165.6154.9-12.9-121.9163.4-158.800110.9
354D25Very low25.2Very low113 Ų113134.6 Ų134.660%0.60474%0.742SS**  trans47.4149.5139.6-71.715000122.9
355F22.7Very low25.1Very low200 Ų200132.8 Ų132.888%0.87775%0.75SS**  cis-133.8161.738.8-121.3-92000116.9
356C23.5Very low25.1Very low103 Ų103132 Ų13270%0.69675%0.754SS**  trans-84.9160.9-163.6-66.30000117.1
357S26.2Very low24.6Very low114 Ų114131.8 Ų131.880%0.79776%0.755SS**  trans-84.1145.7166.6-380000112.6
358S24.5Very low24Very low109 Ų109135.4 Ų135.476%0.76276%0.759SS**  trans168.4155.5155.4-84.40000111.2
359L24Very low24.2Very low137 Ų137138.7 Ų138.772%0.71776%0.762SS**  cis-161145.5-15.4-111.8168000110.4
360N23.7Very low24.1Very low134 Ų134138.7 Ų138.772%0.71776%0.757SS**  trans22.4123.6144.3-68.9-1.1000123.2
361S21.6Very low24.2Very low94 Ų94140.4 Ų140.466%0.65776%0.757SS**  98.3156111.974.30000124.1
362F21.6Very low24.2Very low208 Ų208139.8 Ų139.891%0.91275%0.752SS**  trans77.3172.8159.3-68.6-60.8000120.6
363S23.7Very low24Very low99 Ų99139.7 Ų139.769%0.69276%0.757SS**  trans-147.4173.4-152.1-1780000110.6
364M22.4Very low23.9Very low168 Ų168137.2 Ų137.283%0.82876%0.756SS**  trans72.1124.3175.2-61-67.2170.900117.7
365S21Very low23.9Very low124 Ų124137.6 Ų137.687%0.86776%0.763SS**  trans151.7146.5133.6-68.10000111.4
366E22.3Very low24.1Very low188 Ų188133.1 Ų133.188%0.87976%0.756SS**  trans-96.5173.4-169.5-57.9-176.7110.300115.2
367S26.2Very low24.3Very low102 Ų102137.9 Ų137.971%0.71376%0.759SS**  trans104.7145.9139.587.60000116.7
368K27.1Very low24.2Very low180 Ų180139.3 Ų139.378%0.78375%0.754SS**  cis-157.4160.59-142.7156.6-167.8160.90112
369R27.9Very low24.3Very low215 Ų215137.6 Ų137.681%0.81175%0.753SS**  trans74.8145.2165.4-67.8-169.8-162.6151.85.7116.9
370D22.3Very low24.3Very low128 Ų128137.8 Ų137.868%0.68476%0.76SS**  cis-139.6158.42.8-103.1-35.4000114.1
371L24.9Very low25.1Very low150 Ų150136.5 Ų136.579%0.78576%0.759SS**  trans11.9144.8149.5-10364.8000121.3
372S23.4Very low25.2Very low91 Ų91138.8 Ų138.864%0.63676%0.763SS**  cis-157.2159.69.6-27.10000114
373T22.8Very low25.4Very low131 Ų131135 Ų13580%0.80475%0.752SS**  trans7.41471360.80000119.4
374S25.1Very low25.3Very low94 Ų94136.8 Ų136.866%0.65775%0.754SS**  cis-165.6152.334.261.20000117.2
375T25.3Very low25.5Very low121 Ų121133 Ų13374%0.74274%0.744SS**  trans33.7141.9140.657.10000121.9
376S25.4Very low25.7Very low105 Ų105134.3 Ų134.373%0.73474%0.742SS**  cis-178.6-167.5-2.254.50000108.7
377R28.1Very low25.7Very low203 Ų203130.6 Ų130.677%0.76674%0.736SS**  cis-154.8-138.47.5-148.7176.8161.5-164.2-27.2112.5
378E25.1Very low25.7Very low145 Ų145131 Ų13168%0.67874%0.739SS**  trans-78.9166.4179.8-57110.3-169.400113
379G26.2Very low25.7Very low73 Ų73130 Ų13075%0.75374%0.741SS**  cis174.7-174.1-1.700000114.6
380T24.2Very low25.7Very low140 Ų140126.6 Ų126.686%0.85974%0.739SS**  trans-65.4170.8173.928.90000115.3
381P40.4Very low25.9Very low108 Ų108127.4 Ų127.470%0.70174%0.742SS**  cis-140.6-161.1-4.429.5-3.8000115
382L24.4Very low25.9Very low142 Ų142127.2 Ų127.274%0.74374%0.739SS**  trans92.7127.2145.9-76.2164.7000123
383N24.2Very low26Very low128 Ų128130.4 Ų130.468%0.68475%0.749SS**  trans75.4124.4137.3-84.90.9000125.3
384N23.6Very low25.9Very low136 Ų136127.3 Ų127.373%0.72774%0.743SS**  60.1112.5129.8-74.63.6000123.8
385S25.2Very low26.8Very low88 Ų88129.3 Ų129.362%0.61575%0.754SS**  74.8111.6112.4-53.20000122.6
386N25.2Very low26.7Very low153 Ų153127.2 Ų127.282%0.81876%0.756SS**  74.7159.6127.8-64.5-10.3000121.6
387S23.6Very low26.6Very low110 Ų110127.2 Ų127.277%0.76976%0.756SS**  trans65.9127.1-178.2530000115.8
388S25.2Very low26.5Very low109 Ų109125.6 Ų125.676%0.76276%0.762SS**  cis95.414726.7-620000114.4
389L27.7Very low26.5Very low160 Ų160128.7 Ų128.784%0.83877%0.774SS**  trans74.8142.9179.2-48.2179000113.5
390L27.1Very low26.2Very low144 Ų144129.7 Ų129.775%0.75477%0.774SS**  cis-150.7-157.2-4.8-115.1165.9000107.1
391L26.4Very low26.3Very low144 Ų144127.8 Ų127.875%0.75477%0.767SS**  cis-153.8149.712.1-140.8171.2000110.7
392M24.9Very low25.5Very low146 Ų146130.9 Ų130.972%0.71977%0.772SS**  trans-25.9140.1170.4-61-79.3-157.900120.8
393N25.8Very low25.4Very low158 Ų158130.3 Ų130.385%0.84577%0.769SS**  167155.1100.9-90.2-46.2000114.6
394G21.5Very low25.3Very low66 Ų66132.4 Ų132.468%0.6877%0.773SS**  trans-135.3-147.816500000109.7
395P43.9Very low25.3Very low136 Ų136133.3 Ų133.388%0.88378%0.777SS**  cis-139.1-175-9.942.7-25.3000114.8
396G23.1Very low25.1Very low77 Ų77132 Ų13279%0.79478%0.778SS**  trans105.6152.716300000115.9
397S23.2Very low25Very low105 Ų105133.1 Ų133.173%0.73478%0.782SS**  cis-153.7153.5-4.5-167.50000112.6
398L25.1Very low24.9Very low169 Ų169132.6 Ų132.689%0.88578%0.778SS**  trans-0.7138.9165-56.8170.5000120.9
399F25Very low24.6Very low211 Ų211133 Ų13393%0.92578%0.781SS**  trans-119.3143.9171.1-87.3-82.3000113.9
400A21.4Very low24.4Very low93 Ų93133.9 Ų133.977%0.76978%0.78SS**  trans-162.2151.5162.800000107.2
401S24.6Very low24.9Very low100 Ų100132.1 Ų132.170%0.69978%0.778SS**  cis-171.6143-6.843.60000109.7
402E24.1Very low24.7Very low174 Ų174136.6 Ų136.681%0.81379%0.785SS**  trans56.8144162-52.7-174.9155.500118.3
403N23Very low24.8Very low129 Ų129136.2 Ų136.269%0.6979%0.786SS**  -170.8152.154.1-120.9-53000115.2
404F22.5Very low24.6Very low173 Ų173136.3 Ų136.376%0.75979%0.786SS**  trans43.9131.2142.9-103.5-131.7000126.7
405L22.2Very low24.7Very low155 Ų155142.4 Ų142.481%0.81279%0.794SS**  trans62.4152.5151.9-58.8171.5000120.4
406G21.1Very low23.7Very low61 Ų61139.6 Ų139.663%0.62979%0.789SS**  cis148.4131.2-15.200000115.7
407I23.5Very low23.8Very low176 Ų176142.1 Ų142.190%0.90379%0.785SS**  trans70.9143.6162.1-61.2172.4000115.2
408S21.9Very low24Very low99 Ų99143.7 Ų143.769%0.69278%0.779SS**  cis-169.1154.5-14.5165.60000110.2
409S19.7Very low24.1Very low117 Ų117145.7 Ų145.782%0.81878%0.781SS**  trans-171.7147.6139.524.10000114.1
410Q23.3Very low24Very low178 Ų178138.1 Ų138.183%0.83276%0.762SS**  trans-108.3-163.1167-54.3-178.3-75.500107.9
411P36.9Very low24.1Very low107 Ų107138.7 Ų138.770%0.69576%0.76SS**  cis-141.6170.5-6.342-24.5000116.9
412R22.3Very low24.1Very low239 Ų239138.2 Ų138.290%0.90276%0.762SS**  -174.2155.7115.4-100.8-178.4-172.8-142.41.8111.6
413N26Very low24.2Very low138 Ų138137 Ų13774%0.73877%0.766SS**  trans-109.3164.8177-61.1-19.7000110.1
414D21.8Very low24.3Very low160 Ų160136.6 Ų136.686%0.85677%0.769SS**  -152.5176.6121.3-106.4-37.7000111.7
415F24.1Very low24.6Very low194 Ų194138.2 Ų138.285%0.85178%0.775SS**  trans-89.3155.8-148.5-98.7-109000118.6
416G23.5Very low24.7Very low76 Ų76136.4 Ų136.478%0.78477%0.773SS**  trans160.184163.800000113.2
417N25.3Very low24.7Very low131 Ų131138.3 Ų138.370%0.70178%0.777SS**  trans-158.2172.1-171.7-164.612.3000113.3
418F27.3Very low25.1Very low137 Ų137136 Ų13660%0.60178%0.776SS**  trans78.9145.1175.9-61.5-80.7000115.5G420F418-G420 WeakPolarHBondContact CE1-O 3.4Å
419F26.3Very low25.5Very low212 Ų212135.5 Ų135.593%0.9377%0.773SS**  cis-97.8127.817.5-85.9-101.1000117.1
420G23.1Very low25.8Very low51 Ų51136.9 Ų136.953%0.52678%0.776SS.*  trans-152.2120.4153.200000108.7F418F418-G420 WeakPolarHBondContact CE1-O 3.4Å
421S24.8Very low26.2Very low106 Ų106133.6 Ų133.674%0.74177%0.768SS**  trans-160.2143.3-179.9-91.50000109.8
422A23.2Very low26.1Very low89 Ų89133.5 Ų133.574%0.73677%0.768SS**  cis-153.4136.7-16.100000109
423V27.3Very low27.4Very low148 Ų148132.4 Ų132.490%0.89776%0.764SS**  trans-98.4106.5172.7178.30000108.9
424T24.4Very low29.1Very low122 Ų122127.4 Ų127.475%0.74874%0.736SS**PPolyproline II helixtrans-68.514016742.70000110P426T424-P426 VanDerWaalsContact O-CD 3.3Å; T424-P426 WeakPolarHBondContact O-CD 3.41Å
425K28.1Very low31Very low206 Ų206124 Ų12490%0.89672%0.722SS**PPolyproline II helixtrans-67.1125.1171.9-80.2-176174.7179.50110.1
426P24.6Very low33.2Very low117 Ų117115.6 Ų115.676%0.7669%0.686SS**PPolyproline II helixtrans-72.5160.1158.6-11.930000110.7T424T424-P426 VanDerWaalsContact O-CD 3.3Å; T424-P426 WeakPolarHBondContact O-CD 3.41Å
427S22.3Very low35.3Very low101 Ų101115.6 Ų115.671%0.70667%0.666SS**PPolyproline II helixtrans-75.3169.6172.948.10000112.9S429S427-S429 PolarHBondContact O-N 3.16Å
428S31.3Very low37.2Very low127 Ų127112.4 Ų112.489%0.88866%0.664SS**SBendtrans-75.280-175.954.90000113.6
429S29.1Very low39.5Very low89 Ų89109.3 Ų109.362%0.62266%0.657SS**  trans-157.160.1170.249.50000112.4S427 T431S427-S429 PolarHBondContact O-N 3.16Å; S429-T431 PolarHBondContact O-N 2.78Å
430V27.4Very low42.1Very low146 Ų14699.4 Ų99.489%0.88561%0.613SS**  trans-70.198.9179.8-176.40000111
431T30.6Very low45Very low110 Ų11098.8 Ų98.868%0.67560%0.596SS**PPolyproline II helixtrans-73.2150.516239.10000110.8S429 R433S429-T431 PolarHBondContact O-N 2.78Å; T431-R433 PolarHBondContact O-N 2.92Å
432P36.1Very low47.9Very low105 Ų10594.3 Ų94.368%0.68256%0.564SS**PPolyproline II helixtrans-63.9119.4177.1-20.332.8000111.3
433R47.9Very low50.7Low216 Ų21695 Ų9582%0.81555%0.548SS*.PPolyproline II helixtrans-72.3139.4169.6-68.8-164.6-179.5167.90.9110T431 E437T431-R433 PolarHBondContact O-N 2.92Å; R433-E437 WeakPolarHBondContact CA-OE2 3.4Å; R433-E437 WeakPolarHBondContact CB-OE2 3.44Å; R433-E437 VanDerWaalsContact CG-OE2 3.28Å; R433-E437 WeakPolarHBondContact CG-OE2 3.45Å
434H62.1Low53.4Low32 Ų3289.8 Ų89.815%0.14851%0.514CS..  trans-114.1145.1-175.657.6-71.9000110.4L436 E437 F541H434-L436 PolarHBondContact O-N 3.44Å; H434-E437 PolarHBondContact N-OE2 2.76Å; H434-E437 IonicContact ND1-OE2 2.74Å; H434-E437 WeakPolarHBondContact O-CB 3.48Å; H434-E437 PolarHBondContact O-N 3.4Å; H434-F541 HydrophobicContact CB-CD2 4.26Å; H434-F541 HydrophobicContact CB-CE2 4.03Å
435P62.7Low56.2Low89 Ų8984 Ų8458%0.57848%0.478SS*.THydrogen-bonded Turntrans-64.1-16-170.3-26.736.6000116.1L535 A540P435-L535 HydrophobicContact CB-CD1 4.14Å; P435-A540 WeakPolarHBondContact CD-O 3.27Å; P435-A540 VanDerWaalsContact CG-O 3.26Å; P435-A540 WeakPolarHBondContact CG-O 3.35Å
436L70.7Confident58.8Low17 Ų1774.3 Ų74.39%0.08944%0.436CS..THydrogen-bonded Turntrans-87.7-0.5173.3-61.2176.2000113.7H434 G438 T439 H440 D531 V532 L535H434-L436 PolarHBondContact O-N 3.44Å; L436-G438 PolarHBondContact O-N 2.87Å; L436-T439 PolarHBondContact O-N 3.43Å; L436-T439 PolarHBondContact O-OG1 2.85Å; L436-H440 HydrophobicContact CB-CB 3.95Å; L436-H440 PolarHBondContact O-N 3.46Å; L436-D531 HydrophobicContact CD1-CB 4.49Å; L436-V532 HydrophobicContact CD1-CG2 3.69Å; L436-L535 HydrophobicContact CD1-CD1 4.04Å; L436-L535 HydrophobicContact CD2-CD1 3.63Å; L436-L535 HydrophobicContact CG-CD1 3.51Å
437E67.5Low61.5Low76 Ų7673.6 Ų73.636%0.35542%0.423SS..THydrogen-bonded Turntrans-60.8-20-173.2-169.4169.4178.600113.7R433 H434 K480R433-E437 WeakPolarHBondContact CA-OE2 3.4Å; R433-E437 WeakPolarHBondContact CB-OE2 3.44Å; R433-E437 VanDerWaalsContact CG-OE2 3.28Å; R433-E437 WeakPolarHBondContact CG-OE2 3.45Å; H434-E437 PolarHBondContact N-OE2 2.76Å; H434-E437 IonicContact ND1-OE2 2.74Å; H434-E437 WeakPolarHBondContact O-CB 3.48Å; H434-E437 PolarHBondContact O-N 3.4Å; E437-K480 PolarHBondContact O-NZ 3.23Å
438G65Low64.2Low65 Ų6573 Ų7367%0.6741%0.41SS*.THydrogen-bonded Turntrans-80.4-23.1171.100000115.4L436L436-G438 PolarHBondContact O-N 2.87Å
439T74.7Confident66.7Low72 Ų7267.1 Ų67.144%0.44237%0.369SS..THydrogen-bonded Turntrans-118.7-30.9-172.358.40000113.9L436 I479 K480L436-T439 PolarHBondContact O-N 3.43Å; L436-T439 PolarHBondContact O-OG1 2.85Å; T439-I479 WeakPolarHBondContact O-CG2 3.5Å; T439-K480 PolarHBondContact O-N 3.19Å
440H80.1Confident69.4Low4 Ų462.9 Ų62.92%0.01934%0.34CS..EExtended strand (participates in β ladder)trans-117.2155-179.7-66.563.9000111.1L436 L442 R478 K480 D531L436-H440 HydrophobicContact CB-CB 3.95Å; L436-H440 PolarHBondContact O-N 3.46Å; H440-L442 HydrophobicContact CB-CD2 4.29Å; H440-L442 HydrophobicContact CB-CG 4.48Å; H440-R478 CarbonylContact C-O 3.54Å; H440-R478 WeakPolarHBondContact CA-O 3.43Å; H440-K480 WeakPolarHBondContact O-CE 3.35Å; H440-D531 IonicContact CE1-OD2 2.99Å; H440-D531 PolarHBondContact CE1-OD2 2.64Å; H440-D531 IonicContact NE2-OD2 2.83Å
441E85.3Confident71.9Confident37 Ų3758.6 Ų58.617%0.17331%0.314CS..EExtended strand (participates in β ladder)trans-108.7116.9160-160.2-164.815900107.4R443 G477 R478 K480 W487E441-R443 IonicContact OE1-CZ 2.7Å; E441-R443 IonicContact OE1-NE 2.86Å; E441-R443 PolarHBondContact OE1-NE 3.45Å; E441-R443 IonicContact OE1-NH2 3.88Å; E441-R443 PolarHBondContact OE1-NH2 2.92Å; E441-G477 WeakPolarHBondContact O-CA 3.47Å; E441-R478 HydrophobicContact CB-CG 4.1Å; E441-R478 PolarHBondContact N-O 3.44Å; E441-R478 PolarHBondContact O-N 3.47Å; E441-R478 IonicContact OE2-CZ 2.71Å; E441-R478 VanDerWaalsContact OE2-CZ 3.23Å; E441-R478 IonicContact OE2-NE 2.8Å; E441-R478 PolarHBondContact OE2-NE 3.15Å; E441-R478 IonicContact OE2-NH2 3.74Å; E441-R478 PolarHBondContact OE2-NH2 3.34Å; E441-K480 HydrophobicContact CB-CG 4.15Å; E441-W487 HydrophobicContact CB-CH2 4Å; E441-W487 VanDerWaalsContact CD-CH2 3.46Å; E441-W487 HydrophobicContact CG-CH2 3.75Å; E441-W487 HydrophobicContact CG-CZ2 4.43Å; E441-W487 VanDerWaalsContact O-CZ3 3.22Å; E441-W487 WeakPolarHBondContact O-CZ3 3.35Å
442L85.3Confident74.2Confident12 Ų1257.6 Ų57.66%0.06330%0.3CS..EExtended strand (participates in β ladder)trans-106.1144.2175-58.5-175.5000109.7H440 I476 I490 V532 F541 F546H440-L442 HydrophobicContact CB-CD2 4.29Å; H440-L442 HydrophobicContact CB-CG 4.48Å; L442-I476 WeakPolarHBondContact CA-O 3.26Å; L442-I490 HydrophobicContact CD2-CD1 3.97Å; L442-V532 HydrophobicContact CD1-CG2 4.31Å; L442-V532 HydrophobicContact CD2-CG2 4.45Å; L442-F541 HydrophobicContact CD1-CE2 3.55Å; L442-F541 HydrophobicContact CD1-CZ 3.66Å; L442-F546 HydrophobicContact CB-CE1 4.12Å; L442-F546 HydrophobicContact CB-CE2 3.79Å; L442-F546 HydrophobicContact CB-CZ 3.47Å; L442-F546 VanDerWaalsContact CB-CZ 3.47Å; L442-F546 HydrophobicContact CD1-CE2 4.46Å; L442-F546 WeakPolarHBondContact O-CZ 3.49Å
443R82.4Confident75.6Confident105 Ų10556 Ų5640%0.39629%0.292SS..EExtended strand (participates in β ladder)trans-143.2158.3175.2-74.4-176.5-171.6-119.7-2.5112E441 I476 W487E441-R443 IonicContact OE1-CZ 2.7Å; E441-R443 IonicContact OE1-NE 2.86Å; E441-R443 PolarHBondContact OE1-NE 3.45Å; E441-R443 IonicContact OE1-NH2 3.88Å; E441-R443 PolarHBondContact OE1-NH2 2.92Å; R443-I476 HydrophobicContact CB-CD1 4.13Å; R443-I476 HydrophobicContact CB-CG1 3.89Å; R443-I476 PolarHBondContact N-O 3.36Å; R443-I476 VanDerWaalsContact O-CG1 3.28Å; R443-I476 WeakPolarHBondContact O-CG1 3.36Å; R443-I476 PolarHBondContact O-N 2.81Å; R443-W487 HydrophobicContact CB-CH2 3.97Å; R443-W487 HydrophobicContact CB-CZ3 3.84Å; R443-W487 VanDerWaalsContact CD-CH2 3.41Å; R443-W487 HydrophobicContact CG-CH2 3.49Å; R443-W487 VanDerWaalsContact CG-CH2 3.49Å; R443-W487 HydrophobicContact CG-CZ2 4.23Å; R443-W487 HydrophobicContact CG-CZ3 3.89Å
444Q83.1Confident76.5Confident38 Ų3846.8 Ų46.818%0.17826%0.264CS..EExtended strand (participates in β ladder)trans-88.6139.6167.1-59.8168.9-5.500109.5K472 F546 F547Q444-K472 HydrophobicContact CB-CB 4.01Å; Q444-K472 HydrophobicContact CB-CG 4.06Å; Q444-K472 VanDerWaalsContact OE1-CE 3.25Å; Q444-F546 HydrophobicContact CG-CD1 4.43Å; Q444-F546 HydrophobicContact CG-CE1 4.13Å; Q444-F546 PolarHBondContact NE2-O 2.78Å; Q444-F547 HydrophobicContact CG-CD1 4.27Å; Q444-F547 PolarHBondContact NE2-O 2.94Å
445A84.2Confident76.3Confident0 Ų051 Ų510%029%0.294CS..EExtended strand (participates in β ladder)trans-140.8176.9171.800000111F450 Y462 K472 D473 I474 I476A445-F450 HydrophobicContact CB-CB 3.79Å; A445-Y462 HydrophobicContact CB-CD2 3.98Å; A445-Y462 HydrophobicContact CB-CE2 3.79Å; A445-K472 CarbonylContact O-C 3.49Å; A445-K472 VanDerWaalsContact O-C 3.27Å; A445-K472 VanDerWaalsContact O-CA 3.28Å; A445-K472 WeakPolarHBondContact O-CA 3.15Å; A445-D473 PolarHBondContact O-N 3.43Å; A445-I474 PolarHBondContact N-O 3.24Å; A445-I474 PolarHBondContact O-N 2.93Å; A445-I476 HydrophobicContact CB-CD1 3.85Å; A445-I476 HydrophobicContact CB-CG1 4.18Å; A445-I476 HydrophobicContact CB-CG2 4.28Å
446C82.4Confident76.1Confident2 Ų250.8 Ų50.81%0.01428%0.284CS..  trans-136.2174.4166.472.50000110.2I448 C449 F450 H468 K471 D473C446-I448 PolarHBondContact O-N 3.31Å; C446-C449 PolarHBondContact N-SG 3.47Å; C446-C449 PolarHBondContact O-N 2.72Å; C446-C449 VanDerWaalsContact O-N 3.15Å; C446-F450 WeakPolarHBondContact O-CB 3.5Å; C446-F450 PolarHBondContact O-N 3.34Å; C446-H468 PolarHBondContact SG-NE2 2.92Å; C446-H468 VanDerWaalsContact SG-NE2 3.36Å; C446-K471 HydrophobicContact CB-CB 3.82Å; C446-D473 WeakPolarHBondContact CA-OD1 3.36Å; C446-D473 WeakPolarHBondContact CB-OD1 3.41Å
447Q81.3Confident75.6Confident102 Ų10251.5 Ų51.548%0.47729%0.288SS..THydrogen-bonded Turntrans-58.5-11.9-179.3-161.656.957.500115.1
448I78.7Confident75.2Confident88 Ų8850.4 Ų50.445%0.45128%0.283SS..THydrogen-bonded Turntrans-89.3-40.3178-57.5170.8000111.8C446 V451 H468C446-I448 PolarHBondContact O-N 3.31Å; I448-V451 WeakPolarHBondContact O-CG2 3.36Å; I448-H468 HydrophobicContact CG2-CB 4.38Å
449C84.6Confident75.4Confident4 Ų449.6 Ų49.63%0.02726%0.263CS..THydrogen-bonded Turntrans-97.1-11.6176.757.90000113.9C446 Y462 H463C446-C449 PolarHBondContact N-SG 3.47Å; C446-C449 PolarHBondContact O-N 2.72Å; C446-C449 VanDerWaalsContact O-N 3.15Å; C449-Y462 HydrophobicContact CB-CE2 4.4Å; C449-Y462 CarbonylContact O-C 3.59Å; C449-Y462 WeakPolarHBondContact O-CA 3.23Å; C449-H463 PolarHBondContact O-N 2.87Å
450F85.2Confident75.6Confident0 Ų048 Ų480%025%0.251CS..EExtended strand (participates in β ladder)trans-119.184.8172.7-170-106.2000109.2A445 C446 F460 I474 I476 W487 K489A445-F450 HydrophobicContact CB-CB 3.79Å; C446-F450 WeakPolarHBondContact O-CB 3.5Å; C446-F450 PolarHBondContact O-N 3.34Å; F450-F460 HydrophobicContact CD1-CB 4.12Å; F450-F460 AromaticContact CD1-CD1 3.59Å; F450-F460 HydrophobicContact CD1-CD1 3.59Å; F450-F460 HydrophobicContact CD1-CE1 4.21Å; F450-F460 HydrophobicContact CD1-CG 4.01Å; F450-F460 HydrophobicContact CD2-CB 4.25Å; F450-F460 HydrophobicContact CE1-CB 3.45Å; F450-F460 VanDerWaalsContact CE1-CB 3.45Å; F450-F460 AromaticContact CE1-CD1 3.38Å; F450-F460 HydrophobicContact CE1-CD1 3.38Å; F450-F460 AromaticContact CE1-CD2 3.98Å; F450-F460 HydrophobicContact CE1-CD2 3.98Å; F450-F460 HydrophobicContact CE1-CE1 4.06Å; F450-F460 AromaticContact CE1-CG 3.34Å; F450-F460 HydrophobicContact CE1-CG 3.34Å; F450-F460 HydrophobicContact CE2-CB 3.62Å; F450-F460 HydrophobicContact CE2-CG 4.45Å; F450-F460 HydrophobicContact CG-CB 4.49Å; F450-F460 HydrophobicContact CG-CD1 4.43Å; F450-F460 HydrophobicContact CZ-CB 3.19Å; F450-F460 HydrophobicContact CZ-CD1 4.11Å; F450-F460 HydrophobicContact CZ-CD2 4.25Å; F450-F460 AromaticContact CZ-CG 3.64Å; F450-F460 HydrophobicContact CZ-CG 3.64Å; F450-I474 HydrophobicContact CD1-CD1 4.33Å; F450-I474 HydrophobicContact CD1-CG2 4.26Å; F450-I476 HydrophobicContact CD1-CG2 4.21Å; F450-I476 HydrophobicContact CD2-CD1 4.4Å; F450-I476 HydrophobicContact CD2-CG2 3.7Å; F450-I476 HydrophobicContact CE1-CG2 4.13Å; F450-I476 HydrophobicContact CE2-CB 4.47Å; F450-I476 HydrophobicContact CE2-CG2 3.6Å; F450-I476 HydrophobicContact CG-CG2 3.98Å; F450-I476 HydrophobicContact CZ-CG2 3.8Å; F450-W487 HydrophobicContact CE2-CB 4.02Å; F450-W487 VanDerWaalsContact CE2-O 3.24Å; F450-W487 WeakPolarHBondContact CE2-O 3.25Å; F450-W487 WeakPolarHBondContact CZ-O 3.29Å; F450-K489 HydrophobicContact CE1-CB 3.81Å; F450-K489 HydrophobicContact CE1-CD 4.14Å; F450-K489 HydrophobicContact CE1-CG 4.31Å; F450-K489 HydrophobicContact CZ-CB 4.02Å
451V80.6Confident75.6Confident56 Ų5650.8 Ų50.834%0.33927%0.268SS..EExtended strand (participates in β ladder)trans-99140.6-168.3-173.40000109.6I448 S453 F460 T461I448-V451 WeakPolarHBondContact O-CG2 3.36Å; V451-S453 PolarHBondContact O-N 3.24Å; V451-F460 VanDerWaalsContact O-CA 3.31Å; V451-F460 WeakPolarHBondContact O-CA 3.21Å; V451-T461 PolarHBondContact N-O 3.42Å; V451-T461 VanDerWaalsContact N-O 3.17Å; V451-T461 PolarHBondContact O-N 3.02Å
452K78.6Confident75.5Confident89 Ų8951.3 Ų51.339%0.38727%0.269SS..EExtended strand (participates in β ladder)trans-71.5113.6171.1-177.8167.2174.7168.60108.6G454 P455 K456 D459 F460K452-G454 WeakPolarHBondContact CE-O 3.47Å; K452-G454 VanDerWaalsContact CG-O 3.28Å; K452-G454 WeakPolarHBondContact CG-O 3.49Å; K452-P455 WeakPolarHBondContact CE-O 3.16Å; K452-P455 PolarHBondContact NZ-O 2.86Å; K452-K456 WeakPolarHBondContact CE-O 3.34Å; K452-K456 PolarHBondContact NZ-O 3.23Å; K452-K456 VanDerWaalsContact NZ-O 3.1Å; K452-D459 CarbonylContact C-O 3.45Å; K452-D459 VanDerWaalsContact CA-O 3.3Å; K452-D459 WeakPolarHBondContact CA-O 3.28Å; K452-F460 HydrophobicContact CB-CD1 4.05Å; K452-F460 HydrophobicContact CB-CE1 3.79Å; K452-F460 HydrophobicContact CB-CZ 4.26Å
453S65.2Low75.3Confident72 Ų7254.5 Ų54.550%0.50328%0.283SS..  trans-99.8-9.4-172.6-63.70000114.4V451 D459 T461V451-S453 PolarHBondContact O-N 3.24Å; S453-D459 PolarHBondContact N-O 2.86Å; S453-T461 WeakPolarHBondContact CB-OG1 3.48Å; S453-T461 VanDerWaalsContact OG-CB 3.26Å; S453-T461 WeakPolarHBondContact OG-CB 3.26Å; S453-T461 PolarHBondContact OG-OG1 2.93Å
454G67.8Low74.8Confident23 Ų2352.5 Ų52.524%0.23729%0.289CS..SBendtrans-149.8177.5179.200000111.7K452 D459K452-G454 WeakPolarHBondContact CE-O 3.47Å; K452-G454 VanDerWaalsContact CG-O 3.28Å; K452-G454 WeakPolarHBondContact CG-O 3.49Å; G454-D459 VanDerWaalsContact CA-OD2 3.29Å; G454-D459 WeakPolarHBondContact CA-OD2 3.4Å
455P56.9Low74.1Confident119 Ų11958.1 Ų58.177%0.77332%0.32SS*.SBendtrans-73.5-28.7-174.629.2-34.7000114K452 D459K452-P455 WeakPolarHBondContact CE-O 3.16Å; K452-P455 PolarHBondContact NZ-O 2.86Å; P455-D459 WeakPolarHBondContact CD-OD2 3.49Å
456K59.5Low73.8Confident85 Ų8561.4 Ų61.437%0.3734%0.337SS..SBendtrans-69.1167.9-172.2-49-177.1-169.2-169.80112K452 M458 D459 E512K452-K456 WeakPolarHBondContact CE-O 3.34Å; K452-K456 PolarHBondContact NZ-O 3.23Å; K452-K456 VanDerWaalsContact NZ-O 3.1Å; K456-M458 PolarHBondContact O-N 3.2Å; K456-D459 VanDerWaalsContact CB-OD2 3.29Å; K456-D459 WeakPolarHBondContact CB-OD2 3.33Å; K456-D459 WeakPolarHBondContact CG-OD2 3.27Å; K456-D459 PolarHBondContact N-OD2 2.92Å; K456-E512 HydrophobicContact CD-CB 4.43Å; K456-E512 IonicContact NZ-OE1 3.69Å; K456-E512 PolarHBondContact NZ-OE1 3.42Å; K456-E512 IonicContact NZ-OE2 3.83Å; K456-E512 PolarHBondContact NZ-OE2 2.73Å
457L58.6Low73.1Confident33 Ų3369.7 Ų69.717%0.17338%0.381CS..THydrogen-bonded Turntrans-67.6-20.6-178.5-167.565.6000113.7F460 V509 E514 C515 Y525L457-F460 WeakPolarHBondContact O-CE2 3.46Å; L457-V509 HydrophobicContact CD2-CB 4.48Å; L457-V509 HydrophobicContact CD2-CG1 4.2Å; L457-V509 HydrophobicContact CD2-CG2 3.53Å; L457-E514 HydrophobicContact CD1-CG 4.31Å; L457-C515 HydrophobicContact CD2-CB 4.01Å; L457-Y525 HydrophobicContact CD2-CD2 4.36Å; L457-Y525 HydrophobicContact CD2-CE2 3.88Å
458M60.9Low72.9Confident53 Ų5367.5 Ų67.526%0.26137%0.371SS..THydrogen-bonded Turntrans-113.11.1-175.6-84.7-66.4-18000115.2K456 F460 V509 Y525K456-M458 PolarHBondContact O-N 3.2Å; M458-F460 VanDerWaalsContact C-N 3.27Å; M458-F460 PolarHBondContact O-N 2.98Å; M458-V509 HydrophobicContact CG-CG1 4.29Å; M458-Y525 HydrophobicContact CE-CD2 4.08Å; M458-Y525 HydrophobicContact CE-CG 4.23Å
459D69.1Low72.7Confident47 Ų4773.1 Ų73.125%0.25139%0.392SS..  trans-74.776.1-178.7-61-17.8000110.9K452 S453 G454 P455 K456K452-D459 CarbonylContact C-O 3.45Å; K452-D459 VanDerWaalsContact CA-O 3.3Å; K452-D459 WeakPolarHBondContact CA-O 3.28Å; S453-D459 PolarHBondContact N-O 2.86Å; G454-D459 VanDerWaalsContact CA-OD2 3.29Å; G454-D459 WeakPolarHBondContact CA-OD2 3.4Å; P455-D459 WeakPolarHBondContact CD-OD2 3.49Å; K456-D459 VanDerWaalsContact CB-OD2 3.29Å; K456-D459 WeakPolarHBondContact CB-OD2 3.33Å; K456-D459 WeakPolarHBondContact CG-OD2 3.27Å; K456-D459 PolarHBondContact N-OD2 2.92Å
460F78.4Confident72.3Confident40 Ų4075 Ų7518%0.17540%0.404CS..EExtended strand (participates in β ladder)trans-121.3134.1177.3-72.3-90.4000112.2F450 V451 K452 L457 M458F450-F460 HydrophobicContact CD1-CB 4.12Å; F450-F460 AromaticContact CD1-CD1 3.59Å; F450-F460 HydrophobicContact CD1-CD1 3.59Å; F450-F460 HydrophobicContact CD1-CE1 4.21Å; F450-F460 HydrophobicContact CD1-CG 4.01Å; F450-F460 HydrophobicContact CD2-CB 4.25Å; F450-F460 HydrophobicContact CE1-CB 3.45Å; F450-F460 VanDerWaalsContact CE1-CB 3.45Å; F450-F460 AromaticContact CE1-CD1 3.38Å; F450-F460 HydrophobicContact CE1-CD1 3.38Å; F450-F460 AromaticContact CE1-CD2 3.98Å; F450-F460 HydrophobicContact CE1-CD2 3.98Å; F450-F460 HydrophobicContact CE1-CE1 4.06Å; F450-F460 AromaticContact CE1-CG 3.34Å; F450-F460 HydrophobicContact CE1-CG 3.34Å; F450-F460 HydrophobicContact CE2-CB 3.62Å; F450-F460 HydrophobicContact CE2-CG 4.45Å; F450-F460 HydrophobicContact CG-CB 4.49Å; F450-F460 HydrophobicContact CG-CD1 4.43Å; F450-F460 HydrophobicContact CZ-CB 3.19Å; F450-F460 HydrophobicContact CZ-CD1 4.11Å; F450-F460 HydrophobicContact CZ-CD2 4.25Å; F450-F460 AromaticContact CZ-CG 3.64Å; F450-F460 HydrophobicContact CZ-CG 3.64Å; V451-F460 VanDerWaalsContact O-CA 3.31Å; V451-F460 WeakPolarHBondContact O-CA 3.21Å; K452-F460 HydrophobicContact CB-CD1 4.05Å; K452-F460 HydrophobicContact CB-CE1 3.79Å; K452-F460 HydrophobicContact CB-CZ 4.26Å; L457-F460 WeakPolarHBondContact O-CE2 3.46Å; M458-F460 VanDerWaalsContact C-N 3.27Å; M458-F460 PolarHBondContact O-N 2.98Å
461T79.6Confident71.7Confident61 Ų6182.8 Ų82.837%0.37444%0.438SS..EExtended strand (participates in β ladder)trans-111.3124.5174.8-54.40000110.7V451 S453 H463V451-T461 PolarHBondContact N-O 3.42Å; V451-T461 VanDerWaalsContact N-O 3.17Å; V451-T461 PolarHBondContact O-N 3.02Å; S453-T461 WeakPolarHBondContact CB-OG1 3.48Å; S453-T461 VanDerWaalsContact OG-CB 3.26Å; S453-T461 WeakPolarHBondContact OG-CB 3.26Å; S453-T461 PolarHBondContact OG-OG1 2.93Å; T461-H463 PolarHBondContact O-ND1 2.91Å; T461-H463 VanDerWaalsContact O-ND1 3.1Å
462Y83.1Confident71.5Confident49 Ų4984.9 Ų84.919%0.19244%0.443CS..EExtended strand (participates in β ladder)trans-85121.2169.8-178.9-118.2000110.9A445 C449 A464 I476 W487A445-Y462 HydrophobicContact CB-CD2 3.98Å; A445-Y462 HydrophobicContact CB-CE2 3.79Å; C449-Y462 HydrophobicContact CB-CE2 4.4Å; C449-Y462 CarbonylContact O-C 3.59Å; C449-Y462 WeakPolarHBondContact O-CA 3.23Å; Y462-A464 HydrophobicContact CE1-CB 3.95Å; Y462-I476 HydrophobicContact CD1-CD1 3.99Å; Y462-I476 HydrophobicContact CD2-CD1 3.36Å; Y462-I476 HydrophobicContact CE1-CD1 4.26Å; Y462-I476 HydrophobicContact CE2-CD1 3.68Å; Y462-I476 HydrophobicContact CG-CD1 3.51Å; Y462-W487 AromaticContact CD1-CD1 3.85Å; Y462-W487 HydrophobicContact CD1-CD2 4.3Å; Y462-W487 AromaticContact CD1-CE2 3.99Å; Y462-W487 HydrophobicContact CD1-CG 4.21Å; Y462-W487 AromaticContact CD1-NE1 3.68Å; Y462-W487 HydrophobicContact CG-CG 4.24Å
463H80.9Confident71.4Confident79 Ų7985.2 Ų85.237%0.36645%0.449SS..  trans-108.5100178.9-58.983000109.1C449 T461 N465 I466C449-H463 PolarHBondContact O-N 2.87Å; T461-H463 PolarHBondContact O-ND1 2.91Å; T461-H463 VanDerWaalsContact O-ND1 3.1Å; H463-N465 VanDerWaalsContact C-N 3.3Å; H463-N465 PolarHBondContact O-N 3.11Å; H463-I466 HydrophobicContact CB-CD1 3.45Å; H463-I466 VanDerWaalsContact CB-CD1 3.45Å; H463-I466 HydrophobicContact CB-CG1 3.75Å
464A71.5Confident72.2Confident63 Ų6382.3 Ų82.352%0.52143%0.427SS..THydrogen-bonded Turntrans-68.5-26.1-175.200000113.9Y462Y462-A464 HydrophobicContact CE1-CB 3.95Å
465N69Low73.1Confident156 Ų15681.3 Ų81.383%0.83442%0.417SS*.THydrogen-bonded Turntrans-107.831.3-167.4-57.95.2000113.1H463H463-N465 VanDerWaalsContact C-N 3.3Å; H463-N465 PolarHBondContact O-N 3.11Å
466I78.1Confident74.5Confident69 Ų6975.7 Ų75.735%0.35438%0.38SS..  trans-95115.5173.7-62-178.3000109.1H463 H468H463-I466 HydrophobicContact CB-CD1 3.45Å; H463-I466 VanDerWaalsContact CB-CD1 3.45Å; H463-I466 HydrophobicContact CB-CG1 3.75Å; I466-H468 HydrophobicContact CG2-CB 4.34Å; I466-H468 PolarHBondContact O-N 2.96Å; I466-H468 PolarHBondContact O-ND1 3.39Å
467D66.8Low75.8Confident175 Ų17571.6 Ų71.694%0.93636%0.363SS*.  trans-70.5100.2173.9-76.9-42.2000111.4
468H78.2Confident77.1Confident57 Ų5773 Ų7326%0.26437%0.366SS..SBendtrans-156.3160.3177.772-59.5000111.1C446 I448 I466 C470C446-H468 PolarHBondContact SG-NE2 2.92Å; C446-H468 VanDerWaalsContact SG-NE2 3.36Å; I448-H468 HydrophobicContact CG2-CB 4.38Å; I466-H468 HydrophobicContact CG2-CB 4.34Å; I466-H468 PolarHBondContact O-N 2.96Å; I466-H468 PolarHBondContact O-ND1 3.39Å; H468-C470 VanDerWaalsContact C-N 3.31Å; H468-C470 VanDerWaalsContact NE2-CA 3.34Å; H468-C470 WeakPolarHBondContact NE2-CA 3.37Å; H468-C470 WeakPolarHBondContact NE2-CB 3.49Å; H468-C470 PolarHBondContact O-N 2.85Å
469K75.1Confident78.2Confident206 Ų20672.3 Ų72.390%0.89636%0.362SS*.  trans-76.182.6171.5-67.5-176.8179.21790110K471K469-K471 PolarHBondContact O-N 3.33Å
470C75.3Confident78.6Confident42 Ų4274.8 Ų74.828%0.28437%0.371SS..  trans-58.1127.1-179.9-176.20000111.9H468 K472H468-C470 VanDerWaalsContact C-N 3.31Å; H468-C470 VanDerWaalsContact NE2-CA 3.34Å; H468-C470 WeakPolarHBondContact NE2-CA 3.37Å; H468-C470 WeakPolarHBondContact NE2-CB 3.49Å; H468-C470 PolarHBondContact O-N 2.85Å; C470-K472 VanDerWaalsContact C-N 3.31Å; C470-K472 HydrophobicContact CB-CG 4.42Å; C470-K472 PolarHBondContact O-N 2.68Å; C470-K472 PolarHBondContact SG-N 2.96Å
471K71.6Confident78.1Confident164 Ų16479.9 Ų79.971%0.71340%0.4SS*.  trans-75.7-16.2178.8-69.3-174.3177.5-178.50114.1C446 K469 D473C446-K471 HydrophobicContact CB-CB 3.82Å; K469-K471 PolarHBondContact O-N 3.33Å; K471-D473 WeakPolarHBondContact CB-OD1 3.45Å; K471-D473 PolarHBondContact O-N 2.92Å
472K77.6Confident77.8Confident101 Ų10180.3 Ų80.344%0.43940%0.402SS..  trans5433.6177.2-64.4163.6154.2-122.90113.7Q444 A445 C470 F547Q444-K472 HydrophobicContact CB-CB 4.01Å; Q444-K472 HydrophobicContact CB-CG 4.06Å; Q444-K472 VanDerWaalsContact OE1-CE 3.25Å; A445-K472 CarbonylContact O-C 3.49Å; A445-K472 VanDerWaalsContact O-C 3.27Å; A445-K472 VanDerWaalsContact O-CA 3.28Å; A445-K472 WeakPolarHBondContact O-CA 3.15Å; C470-K472 VanDerWaalsContact C-N 3.31Å; C470-K472 HydrophobicContact CB-CG 4.42Å; C470-K472 PolarHBondContact O-N 2.68Å; C470-K472 PolarHBondContact SG-N 2.96Å; K472-F547 WeakPolarHBondContact O-CD1 3.46Å; K472-F547 WeakPolarHBondContact O-CE1 3.38Å
473D76.7Confident76.9Confident95 Ų9587.2 Ų87.251%0.50844%0.436SS..  trans-94.5-3.3-174.158.2-40.6000114.5A445 C446 K471A445-D473 PolarHBondContact O-N 3.43Å; C446-D473 WeakPolarHBondContact CA-OD1 3.36Å; C446-D473 WeakPolarHBondContact CB-OD1 3.41Å; K471-D473 WeakPolarHBondContact CB-OD1 3.45Å; K471-D473 PolarHBondContact O-N 2.92Å
474I82.1Confident76.4Confident11 Ų1186.9 Ų86.96%0.05644%0.437CS..EExtended strand (participates in β ladder)trans-120.1129.7179.4-54.9179.3000109.7A445 F450 I476 K489A445-I474 PolarHBondContact N-O 3.24Å; A445-I474 PolarHBondContact O-N 2.93Å; F450-I474 HydrophobicContact CD1-CD1 4.33Å; F450-I474 HydrophobicContact CD1-CG2 4.26Å; I474-I476 HydrophobicContact CG2-CG2 3.97Å; I474-K489 HydrophobicContact CG2-CD 4.05Å; I474-K489 HydrophobicContact CG2-CG 3.91Å
475L85.6Confident76.4Confident3 Ų391.2 Ų91.22%0.01644%0.444CS..EExtended strand (participates in β ladder)trans-87.7126.3169.5179.662.2000108.2I490 V532 R543 F546 F547L475-I490 HydrophobicContact CB-CB 4.4Å; L475-I490 HydrophobicContact CD2-CB 3.98Å; L475-I490 HydrophobicContact CD2-CG2 3.85Å; L475-I490 HydrophobicContact CG-CB 4.02Å; L475-I490 HydrophobicContact CG-CG2 4.46Å; L475-I490 PolarHBondContact O-N 3.05Å; L475-V532 HydrophobicContact CD2-CG1 4.48Å; L475-R543 HydrophobicContact CD2-CG 4.35Å; L475-F546 HydrophobicContact CD1-CD1 3.48Å; L475-F546 VanDerWaalsContact CD1-CD1 3.48Å; L475-F546 HydrophobicContact CD1-CE1 3.49Å; L475-F546 VanDerWaalsContact CD1-CE1 3.49Å; L475-F546 HydrophobicContact CD1-CG 4.45Å; L475-F546 HydrophobicContact CD1-CZ 4.46Å; L475-F547 HydrophobicContact CB-CE1 4.43Å; L475-F547 HydrophobicContact CB-CE2 4.11Å; L475-F547 HydrophobicContact CB-CZ 3.67Å; L475-F547 VanDerWaalsContact N-CZ 3.35Å
476I87.9Confident76.9Confident0 Ų086 Ų860%042%0.42CS..EExtended strand (participates in β ladder)trans-121.7146.1173.559169.9000110.1L442 R443 A445 F450 Y462 I474 W487 K488L442-I476 WeakPolarHBondContact CA-O 3.26Å; R443-I476 HydrophobicContact CB-CD1 4.13Å; R443-I476 HydrophobicContact CB-CG1 3.89Å; R443-I476 PolarHBondContact N-O 3.36Å; R443-I476 VanDerWaalsContact O-CG1 3.28Å; R443-I476 WeakPolarHBondContact O-CG1 3.36Å; R443-I476 PolarHBondContact O-N 2.81Å; A445-I476 HydrophobicContact CB-CD1 3.85Å; A445-I476 HydrophobicContact CB-CG1 4.18Å; A445-I476 HydrophobicContact CB-CG2 4.28Å; F450-I476 HydrophobicContact CD1-CG2 4.21Å; F450-I476 HydrophobicContact CD2-CD1 4.4Å; F450-I476 HydrophobicContact CD2-CG2 3.7Å; F450-I476 HydrophobicContact CE1-CG2 4.13Å; F450-I476 HydrophobicContact CE2-CB 4.47Å; F450-I476 HydrophobicContact CE2-CG2 3.6Å; F450-I476 HydrophobicContact CG-CG2 3.98Å; F450-I476 HydrophobicContact CZ-CG2 3.8Å; Y462-I476 HydrophobicContact CD1-CD1 3.99Å; Y462-I476 HydrophobicContact CD2-CD1 3.36Å; Y462-I476 HydrophobicContact CE1-CD1 4.26Å; Y462-I476 HydrophobicContact CE2-CD1 3.68Å; Y462-I476 HydrophobicContact CG-CD1 3.51Å; I474-I476 HydrophobicContact CG2-CG2 3.97Å; I476-W487 HydrophobicContact CB-CB 4.36Å; I476-W487 HydrophobicContact CB-CE3 3.94Å; I476-W487 HydrophobicContact CD1-CB 4.1Å; I476-W487 HydrophobicContact CD1-CD2 3.79Å; I476-W487 HydrophobicContact CD1-CE3 3.61Å; I476-W487 HydrophobicContact CD1-CG 4.03Å; I476-W487 HydrophobicContact CD1-CZ3 4.3Å; I476-W487 HydrophobicContact CG1-CD2 4.32Å; I476-W487 HydrophobicContact CG1-CE3 3.63Å; I476-W487 HydrophobicContact CG1-CZ3 4.13Å; I476-K488 CarbonylContact C-O 3.6Å; I476-K488 VanDerWaalsContact CA-O 3.22Å; I476-K488 WeakPolarHBondContact CA-O 3.24Å
477G86.8Confident77.1Confident0 Ų083.8 Ų83.80%041%0.407CS..EExtended strand (participates in β ladder)trans-144.6158.717900000112.4E441 K488E441-G477 WeakPolarHBondContact O-CA 3.47Å; G477-K488 PolarHBondContact N-O 3.42Å; G477-K488 PolarHBondContact O-N 3.41Å
478R85.4Confident78.1Confident63 Ų6377.2 Ų77.224%0.23837%0.371CS..EExtended strand (participates in β ladder)trans-150.6154.3169.263-178.8-177.6176.42.1109.9H440 E441 K485 S486 W487H440-R478 CarbonylContact C-O 3.54Å; H440-R478 WeakPolarHBondContact CA-O 3.43Å; E441-R478 HydrophobicContact CB-CG 4.1Å; E441-R478 PolarHBondContact N-O 3.44Å; E441-R478 PolarHBondContact O-N 3.47Å; E441-R478 IonicContact OE2-CZ 2.71Å; E441-R478 VanDerWaalsContact OE2-CZ 3.23Å; E441-R478 IonicContact OE2-NE 2.8Å; E441-R478 PolarHBondContact OE2-NE 3.15Å; E441-R478 IonicContact OE2-NH2 3.74Å; E441-R478 PolarHBondContact OE2-NH2 3.34Å; R478-K485 WeakPolarHBondContact CD-O 3.37Å; R478-K485 PolarHBondContact NH1-O 2.85Å; R478-S486 WeakPolarHBondContact CB-O 3.47Å; R478-W487 HydrophobicContact CG-CD2 4.29Å; R478-W487 HydrophobicContact CG-CE3 4.19Å; R478-W487 HydrophobicContact CG-CH2 4.15Å; R478-W487 HydrophobicContact CG-CZ2 4.24Å; R478-W487 HydrophobicContact CG-CZ3 4.13Å; R478-W487 VanDerWaalsContact NE-CZ2 3.29Å
479I83.1Confident78.5Confident38 Ų3877.6 Ų77.620%0.19537%0.372CS..EExtended strand (participates in β ladder)trans-82.3133.7175.3-50.7-179.8000108.8T439 N481 V482 Q527 E528T439-I479 WeakPolarHBondContact O-CG2 3.5Å; I479-N481 VanDerWaalsContact C-N 3.31Å; I479-N481 PolarHBondContact O-N 3.14Å; I479-V482 HydrophobicContact CB-CB 4.08Å; I479-V482 HydrophobicContact CB-CG2 3.7Å; I479-V482 HydrophobicContact CD1-CG2 4.19Å; I479-V482 HydrophobicContact CG1-CG2 4.5Å; I479-V482 HydrophobicContact CG2-CB 4.38Å; I479-V482 HydrophobicContact CG2-CG2 3.58Å; I479-Q527 HydrophobicContact CD1-CG 4.34Å; I479-E528 HydrophobicContact CG1-CG 3.86Å
480K78.3Confident79.1Confident99 Ų9968 Ų6843%0.4333%0.33SS..THydrogen-bonded Turntrans-67.4-30.1-173.4-77.1178169.11770113.8E437 T439 H440 E441E437-K480 PolarHBondContact O-NZ 3.23Å; T439-K480 PolarHBondContact O-N 3.19Å; H440-K480 WeakPolarHBondContact O-CE 3.35Å; E441-K480 HydrophobicContact CB-CG 4.15Å
481N67.5Low79.6Confident147 Ų14767.5 Ų67.579%0.78632%0.322SS*.THydrogen-bonded Turntrans-114.929-169.4-59.62.2000112.5I479I479-N481 VanDerWaalsContact C-N 3.31Å; I479-N481 PolarHBondContact O-N 3.14Å
482V74.1Confident79.9Confident70 Ų7064.2 Ų64.242%0.42432%0.318SS..SBendtrans-118.5149.3-179.8172.80000109.9I479 D484I479-V482 HydrophobicContact CB-CB 4.08Å; I479-V482 HydrophobicContact CB-CG2 3.7Å; I479-V482 HydrophobicContact CD1-CG2 4.19Å; I479-V482 HydrophobicContact CG1-CG2 4.5Å; I479-V482 HydrophobicContact CG2-CB 4.38Å; I479-V482 HydrophobicContact CG2-CG2 3.58Å; V482-D484 VanDerWaalsContact C-N 3.3Å; V482-D484 HydrophobicContact CG1-CB 4.37Å; V482-D484 PolarHBondContact O-N 2.77Å
483E62.6Low80Confident194 Ų19461.3 Ų61.391%0.90730%0.304SS*.SBendtrans-64.4-34-176.5-60.5-174.3163.300112.6K485E483-K485 PolarHBondContact O-N 3.35Å
484D70.9Confident79.5Confident72 Ų7258.2 Ų58.239%0.38529%0.289SS..  trans-74102.1171.2-172.6-4.8000111.2V482 S486 K488V482-D484 VanDerWaalsContact C-N 3.3Å; V482-D484 HydrophobicContact CG1-CB 4.37Å; V482-D484 PolarHBondContact O-N 2.77Å; D484-S486 VanDerWaalsContact C-N 3.35Å; D484-S486 VanDerWaalsContact CG-OG 3.3Å; D484-S486 WeakPolarHBondContact OD1-CB 3.41Å; D484-S486 PolarHBondContact OD1-N 3.13Å; D484-S486 PolarHBondContact OD1-OG 3.11Å; D484-S486 PolarHBondContact OD2-OG 2.89Å; D484-K488 IonicContact OD1-NZ 3.7Å; D484-K488 VanDerWaalsContact OD2-CE 3.27Å; D484-K488 WeakPolarHBondContact OD2-CE 3.46Å; D484-K488 IonicContact OD2-NZ 3.63Å; D484-K488 PolarHBondContact OD2-NZ 3.44Å
485K72.2Confident78.3Confident153 Ų15360.6 Ų60.667%0.66530%0.304SS*.  trans-89.23.9177.8-60.3-174.4-179-173.70113.7R478 E483R478-K485 WeakPolarHBondContact CD-O 3.37Å; R478-K485 PolarHBondContact NH1-O 2.85Å; E483-K485 PolarHBondContact O-N 3.35Å
486S78.6Confident76.4Confident47 Ų4769.3 Ų69.333%0.32934%0.342SS..  trans-70.4154.1-179.869.10000111.9R478 D484 K488R478-S486 WeakPolarHBondContact CB-O 3.47Å; D484-S486 VanDerWaalsContact C-N 3.35Å; D484-S486 VanDerWaalsContact CG-OG 3.3Å; D484-S486 WeakPolarHBondContact OD1-CB 3.41Å; D484-S486 PolarHBondContact OD1-N 3.13Å; D484-S486 PolarHBondContact OD1-OG 3.11Å; D484-S486 PolarHBondContact OD2-OG 2.89Å; S486-K488 WeakPolarHBondContact OG-CE 3.45Å; S486-K488 PolarHBondContact OG-NZ 3.28Å
487W83.8Confident74.4Confident22 Ų2273.3 Ų73.38%0.08337%0.366CS..  trans-93112.5-177.4-74.691.6000109.9E441 R443 F450 Y462 I476 R478E441-W487 HydrophobicContact CB-CH2 4Å; E441-W487 VanDerWaalsContact CD-CH2 3.46Å; E441-W487 HydrophobicContact CG-CH2 3.75Å; E441-W487 HydrophobicContact CG-CZ2 4.43Å; E441-W487 VanDerWaalsContact O-CZ3 3.22Å; E441-W487 WeakPolarHBondContact O-CZ3 3.35Å; R443-W487 HydrophobicContact CB-CH2 3.97Å; R443-W487 HydrophobicContact CB-CZ3 3.84Å; R443-W487 VanDerWaalsContact CD-CH2 3.41Å; R443-W487 HydrophobicContact CG-CH2 3.49Å; R443-W487 VanDerWaalsContact CG-CH2 3.49Å; R443-W487 HydrophobicContact CG-CZ2 4.23Å; R443-W487 HydrophobicContact CG-CZ3 3.89Å; F450-W487 HydrophobicContact CE2-CB 4.02Å; F450-W487 VanDerWaalsContact CE2-O 3.24Å; F450-W487 WeakPolarHBondContact CE2-O 3.25Å; F450-W487 WeakPolarHBondContact CZ-O 3.29Å; Y462-W487 AromaticContact CD1-CD1 3.85Å; Y462-W487 HydrophobicContact CD1-CD2 4.3Å; Y462-W487 AromaticContact CD1-CE2 3.99Å; Y462-W487 HydrophobicContact CD1-CG 4.21Å; Y462-W487 AromaticContact CD1-NE1 3.68Å; Y462-W487 HydrophobicContact CG-CG 4.24Å; I476-W487 HydrophobicContact CB-CB 4.36Å; I476-W487 HydrophobicContact CB-CE3 3.94Å; I476-W487 HydrophobicContact CD1-CB 4.1Å; I476-W487 HydrophobicContact CD1-CD2 3.79Å; I476-W487 HydrophobicContact CD1-CE3 3.61Å; I476-W487 HydrophobicContact CD1-CG 4.03Å; I476-W487 HydrophobicContact CD1-CZ3 4.3Å; I476-W487 HydrophobicContact CG1-CD2 4.32Å; I476-W487 HydrophobicContact CG1-CE3 3.63Å; I476-W487 HydrophobicContact CG1-CZ3 4.13Å; R478-W487 HydrophobicContact CG-CD2 4.29Å; R478-W487 HydrophobicContact CG-CE3 4.19Å; R478-W487 HydrophobicContact CG-CH2 4.15Å; R478-W487 HydrophobicContact CG-CZ2 4.24Å; R478-W487 HydrophobicContact CG-CZ3 4.13Å; R478-W487 VanDerWaalsContact NE-CZ2 3.29Å
488K87Confident72.6Confident38 Ų3875.5 Ų75.517%0.16538%0.378CS..EExtended strand (participates in β ladder)trans-84.9146.9177.4-50-52.7-174.7-171.90110.8I476 G477 D484 S486 C526 E528I476-K488 CarbonylContact C-O 3.6Å; I476-K488 VanDerWaalsContact CA-O 3.22Å; I476-K488 WeakPolarHBondContact CA-O 3.24Å; G477-K488 PolarHBondContact N-O 3.42Å; G477-K488 PolarHBondContact O-N 3.41Å; D484-K488 IonicContact OD1-NZ 3.7Å; D484-K488 VanDerWaalsContact OD2-CE 3.27Å; D484-K488 WeakPolarHBondContact OD2-CE 3.46Å; D484-K488 IonicContact OD2-NZ 3.63Å; D484-K488 PolarHBondContact OD2-NZ 3.44Å; S486-K488 WeakPolarHBondContact OG-CE 3.45Å; S486-K488 PolarHBondContact OG-NZ 3.28Å; K488-C526 HydrophobicContact CB-CB 4.26Å; K488-C526 VanDerWaalsContact CB-SG 3.58Å; K488-C526 HydrophobicContact CG-CB 4.17Å; K488-E528 WeakPolarHBondContact CG-OE2 3.35Å
489K86.7Confident71.2Confident65 Ų6577.3 Ų77.328%0.28339%0.386SS..EExtended strand (participates in β ladder)trans-85.3120.5175.9-176.8168179.5167.80110.7F450 I474F450-K489 HydrophobicContact CE1-CB 3.81Å; F450-K489 HydrophobicContact CE1-CD 4.14Å; F450-K489 HydrophobicContact CE1-CG 4.31Å; F450-K489 HydrophobicContact CZ-CB 4.02Å; I474-K489 HydrophobicContact CG2-CD 4.05Å; I474-K489 HydrophobicContact CG2-CG 3.91Å
490I87.6Confident69.7Low5 Ų582.1 Ų82.13%0.02641%0.407CS..EExtended strand (participates in β ladder)trans-100.7111.3178.2-57.2178.8000108.7L442 L475 E528 E529 V532L442-I490 HydrophobicContact CD2-CD1 3.97Å; L475-I490 HydrophobicContact CB-CB 4.4Å; L475-I490 HydrophobicContact CD2-CB 3.98Å; L475-I490 HydrophobicContact CD2-CG2 3.85Å; L475-I490 HydrophobicContact CG-CB 4.02Å; L475-I490 HydrophobicContact CG-CG2 4.46Å; L475-I490 PolarHBondContact O-N 3.05Å; I490-E528 HydrophobicContact CD1-CB 3.9Å; I490-E528 HydrophobicContact CG1-CB 4.38Å; I490-E529 HydrophobicContact CG2-CB 4.37Å; I490-E529 HydrophobicContact CG2-CG 4.24Å; I490-V532 HydrophobicContact CD1-CB 4.46Å; I490-V532 HydrophobicContact CD1-CG2 3.9Å; I490-V532 HydrophobicContact CG2-CB 4.1Å; I490-V532 HydrophobicContact CG2-CG1 3.92Å
491R85.2Confident68.6Low30 Ų3078.5 Ų78.511%0.11340%0.398CS..PPolyproline II helixtrans-81.5164.8178.1-51.6167.5-68.1144.6-8.1110.7C521 F523 E529 W533 R543R491-C521 PolarHBondContact NH1-O 3.36Å; R491-F523 PolarHBondContact NH2-O 2.88Å; R491-E529 WeakPolarHBondContact CA-OE1 3.22Å; R491-E529 WeakPolarHBondContact CB-OE1 3.38Å; R491-E529 VanDerWaalsContact CG-OE1 3.26Å; R491-E529 WeakPolarHBondContact CG-OE1 3.48Å; R491-E529 IonicContact CZ-OE1 2.7Å; R491-E529 IonicContact CZ-OE2 3.41Å; R491-E529 PolarHBondContact N-OE1 2.85Å; R491-E529 IonicContact NE-OE1 3.24Å; R491-E529 PolarHBondContact NE-OE1 3.3Å; R491-E529 IonicContact NE-OE2 2.66Å; R491-E529 PolarHBondContact NE-OE2 3.38Å; R491-E529 IonicContact NH2-OE1 3.79Å; R491-E529 IonicContact NH2-OE2 3.38Å; R491-E529 PolarHBondContact NH2-OE2 3.05Å; R491-W533 PolarHBondContact O-NE1 3.32Å; R491-R543 PolarHBondContact O-NH2 3.09Å
492P78.8Confident68.3Low96 Ų9674.8 Ų74.862%0.62338%0.382SS*.PPolyproline II helixtrans-58.1144.1169.2-25.536.4000113.6
493R78.4Confident68.5Low40 Ų4072.4 Ų72.415%0.15137%0.365CS..PPolyproline II helixtrans-59.7131.8175-170.5-17377.9-150.5-2.3111T495 Y503 W533 E536 E563R493-T495 PolarHBondContact O-N 2.99Å; R493-T495 VanDerWaalsContact O-N 3.09Å; R493-Y503 WeakPolarHBondContact CD-OH 3.16Å; R493-W533 HydrophobicContact CB-CG 4.16Å; R493-W533 HydrophobicContact CG-CB 4.26Å; R493-W533 HydrophobicContact CG-CD2 4.35Å; R493-W533 HydrophobicContact CG-CG 4.11Å; R493-E536 PolarHBondContact NH1-O 2.8Å; R493-E563 IonicContact CZ-OE1 3.67Å; R493-E563 IonicContact NH2-OE1 2.6Å; R493-E563 PolarHBondContact NH2-OE1 3.24Å
494P67.5Low69.3Low30 Ų3069.7 Ų69.720%0.19535%0.348CS..  trans-64107.7172.1-21.933.5000111T522 W533P494-T522 HydrophobicContact CB-CG2 4.12Å; P494-W533 VanDerWaalsContact CD-CZ2 3.49Å; P494-W533 VanDerWaalsContact CD-CZ3 3.42Å; P494-W533 HydrophobicContact CG-CE3 4.46Å; P494-W533 HydrophobicContact CG-CH2 3.47Å; P494-W533 VanDerWaalsContact CG-CH2 3.47Å; P494-W533 HydrophobicContact CG-CZ2 4.06Å; P494-W533 HydrophobicContact CG-CZ3 3.7Å
495T57Low69.8Low60 Ų6069.7 Ų69.737%0.36835%0.347SS..  trans-82.7-31-174.851.40000113.9R493 T497 N498 E563R493-T495 PolarHBondContact O-N 2.99Å; R493-T495 VanDerWaalsContact O-N 3.09Å; T495-T497 PolarHBondContact O-N 3.22Å; T495-N498 PolarHBondContact O-N 3.3Å; T495-E563 VanDerWaalsContact CB-CD 3.43Å; T495-E563 WeakPolarHBondContact CB-OE1 3.46Å; T495-E563 HydrophobicContact CG2-CG 4.4Å; T495-E563 WeakPolarHBondContact CG2-OE1 3.39Å
496K44.6Very low70.3Confident187 Ų18762.6 Ų62.681%0.81332%0.316SS*.THydrogen-bonded Turntrans-61.34.4-165.6-65-174.7176.2-179.60117.8
497T46.2Very low70Confident84 Ų8468.7 Ų68.752%0.51534%0.337SS..THydrogen-bonded Turntrans-135.60.5-17252.90000115.2T495 Y499T495-T497 PolarHBondContact O-N 3.22Å; T497-Y499 PolarHBondContact O-N 3.01Å; T497-Y499 VanDerWaalsContact O-N 3.08Å
498N49.8Very low69.7Low46 Ų4669.5 Ų69.525%0.24634%0.343CS..  trans41.245.5-174.8-73.4-35.6000113.5T495 E500 E563 H564T495-N498 PolarHBondContact O-N 3.3Å; N498-E500 WeakPolarHBondContact O-CG 3.37Å; N498-E500 PolarHBondContact O-N 2.97Å; N498-E563 PolarHBondContact ND2-O 3.31Å; N498-E563 PolarHBondContact OD1-O 3.37Å; N498-H564 PolarHBondContact ND2-CE1 3.26Å; N498-H564 PolarHBondContact OD1-CE1 3.21Å; N498-H564 PolarHBondContact OD1-ND1 2.86Å; N498-H564 PolarHBondContact OD1-NE2 2.89Å
499Y54.8Low69.2Low101 Ų10168.4 Ų68.440%0.39634%0.34SS..  trans-74.6104.4-171-176.7-103000111.3T497 G501 P502 Y503 R537T497-Y499 PolarHBondContact O-N 3.01Å; T497-Y499 VanDerWaalsContact O-N 3.08Å; Y499-G501 VanDerWaalsContact CE1-O 3.29Å; Y499-G501 WeakPolarHBondContact CE1-O 3.45Å; Y499-P502 WeakPolarHBondContact CE1-O 3.49Å; Y499-P502 PolarHBondContact OH-O 3.42Å; Y499-Y503 AromaticContact CD1-CD1 3.98Å; Y499-Y503 HydrophobicContact CD1-CD1 3.98Å; Y499-Y503 AromaticContact CD1-CE1 3.63Å; Y499-Y503 HydrophobicContact CD1-CE1 3.63Å; Y499-Y503 HydrophobicContact CE1-CD1 4.29Å; Y499-Y503 HydrophobicContact CE1-CE1 4.36Å; Y499-Y503 PolarHBondContact O-OH 3.04Å; Y499-R537 WeakPolarHBondContact O-CD 3.33Å
500E52.1Low68.6Low139 Ų13968.9 Ų68.965%0.6536%0.355SS*.  trans-82.2-11.8-177.9-58.6-170.2139.800113.4N498 R537 L655N498-E500 WeakPolarHBondContact O-CG 3.37Å; N498-E500 PolarHBondContact O-N 2.97Å; E500-R537 PolarHBondContact O-NH1 3.33Å; E500-L655 HydrophobicContact CG-CD1 3.96Å; E500-L655 WeakPolarHBondContact OE1-CD1 3.39Å
501G54.8Low68Low22 Ų2271.5 Ų71.523%0.22738%0.378CS..SBendtrans-77.1-178.6179.700000115.8Y499 R537Y499-G501 VanDerWaalsContact CE1-O 3.29Å; Y499-G501 WeakPolarHBondContact CE1-O 3.45Å; G501-R537 PolarHBondContact O-NE 3Å; G501-R537 PolarHBondContact O-NH1 3.23Å; G501-R537 PolarHBondContact O-NH2 2.91Å
502P61Low67.1Low69 Ų6976 Ų7645%0.44840%0.4SS..  trans-74.4136.6176.631.2-34.5000112.2Y499 Y504Y499-P502 WeakPolarHBondContact CE1-O 3.49Å; Y499-P502 PolarHBondContact OH-O 3.42Å; P502-Y504 HydrophobicContact CG-CE2 3.96Å; P502-Y504 WeakPolarHBondContact CG-OH 3.48Å; P502-Y504 VanDerWaalsContact O-CD2 3.24Å; P502-Y504 WeakPolarHBondContact O-CD2 3.3Å; P502-Y504 WeakPolarHBondContact O-CE2 3.49Å
503Y78.1Confident66.6Low21 Ų2176.7 Ų76.78%0.08240%0.395CS..  trans-75.8146.3176.3-61.8-65.8000111.6R493 Y499 W533 R537R493-Y503 WeakPolarHBondContact CD-OH 3.16Å; Y499-Y503 AromaticContact CD1-CD1 3.98Å; Y499-Y503 HydrophobicContact CD1-CD1 3.98Å; Y499-Y503 AromaticContact CD1-CE1 3.63Å; Y499-Y503 HydrophobicContact CD1-CE1 3.63Å; Y499-Y503 HydrophobicContact CE1-CD1 4.29Å; Y499-Y503 HydrophobicContact CE1-CE1 4.36Å; Y499-Y503 PolarHBondContact O-OH 3.04Å; Y503-W533 AromaticContact CD1-CE3 3.89Å; Y503-W533 HydrophobicContact CD1-CE3 3.89Å; Y503-W533 HydrophobicContact CD1-CZ3 4.47Å; Y503-W533 HydrophobicContact CD2-CB 3.66Å; Y503-W533 HydrophobicContact CD2-CE3 4.48Å; Y503-W533 HydrophobicContact CE1-CE3 4.28Å; Y503-W533 HydrophobicContact CE2-CB 3.71Å; Y503-W533 WeakPolarHBondContact CE2-O 3.36Å; Y503-W533 HydrophobicContact CG-CB 4.33Å; Y503-W533 HydrophobicContact CG-CE3 4.03Å; Y503-R537 HydrophobicContact CE2-CB 4.08Å
504Y79.6Confident66.1Low137 Ų13781.4 Ų81.454%0.53742%0.419SS..  trans-125.4156.1178.8-61.3-83.6000110.7P502 A524P502-Y504 HydrophobicContact CG-CE2 3.96Å; P502-Y504 WeakPolarHBondContact CG-OH 3.48Å; P502-Y504 VanDerWaalsContact O-CD2 3.24Å; P502-Y504 WeakPolarHBondContact O-CD2 3.3Å; P502-Y504 WeakPolarHBondContact O-CE2 3.49Å; Y504-A524 PolarHBondContact O-N 3.18Å
505I82.5Confident66.4Low71 Ų7180 Ų8036%0.36441%0.41SS..BIsolated β-bridgetrans-71.2141.3175.5-52.7-177000109.9K507 A510 A524 I530I505-K507 PolarHBondContact O-N 3.15Å; I505-A510 HydrophobicContact CG2-CB 4.03Å; I505-A524 CarbonylContact C-O 3.57Å; I505-A524 WeakPolarHBondContact CA-O 3.46Å; I505-I530 HydrophobicContact CD1-CD1 4.46Å; I505-I530 HydrophobicContact CG1-CD1 3.57Å
506C81.5Confident66.8Low4 Ų486.7 Ų86.73%0.02743%0.428CS..  trans-64.6125.4179.1179.50000109.9D508 V509 A510 C521 F523 A524 Y525C506-D508 VanDerWaalsContact C-N 3.26Å; C506-D508 PolarHBondContact O-N 3.28Å; C506-V509 HydrophobicContact CB-CB 4.24Å; C506-V509 HydrophobicContact CB-CG2 4Å; C506-V509 PolarHBondContact O-N 2.83Å; C506-V509 VanDerWaalsContact O-N 3.09Å; C506-A510 WeakPolarHBondContact O-CB 3.15Å; C506-A510 PolarHBondContact O-N 2.79Å; C506-C521 PolarHBondContact SG-SG 2.84Å; C506-F523 HydrophobicContact CB-CB 3.76Å; C506-A524 VanDerWaalsContact CB-O 3.27Å; C506-A524 WeakPolarHBondContact CB-O 3.44Å; C506-A524 PolarHBondContact N-O 2.85Å; C506-Y525 HydrophobicContact CB-CD1 3.75Å; C506-Y525 HydrophobicContact CB-CE1 3.95Å
507K73.6Confident67.5Low175 Ų17585 Ų8576%0.76142%0.418SS*.THydrogen-bonded Turntrans-56.4-38.4-177.3-173.1169.4-177.7170.10113.5I505 A511I505-K507 PolarHBondContact O-N 3.15Å; K507-A511 WeakPolarHBondContact O-CB 3.17Å; K507-A511 PolarHBondContact O-N 3.01Å
508D76.2Confident68Low40 Ų4084.6 Ų84.621%0.21442%0.419CS..THydrogen-bonded Turntrans-64.8-47.1177.9-51.7-8.1000110.4C506 A511 E512 E513 C515 R516C506-D508 VanDerWaalsContact C-N 3.26Å; C506-D508 PolarHBondContact O-N 3.28Å; D508-A511 CarbonylContact O-C 3.17Å; D508-A511 WeakPolarHBondContact O-CA 3.45Å; D508-A511 WeakPolarHBondContact O-CB 3.14Å; D508-A511 PolarHBondContact O-N 3.11Å; D508-A511 VanDerWaalsContact O-N 3.13Å; D508-E512 PolarHBondContact O-N 3.37Å; D508-E513 PolarHBondContact O-N 2.93Å; D508-C515 HydrophobicContact CB-CB 4.16Å; D508-C515 WeakPolarHBondContact OD2-CA 3.27Å; D508-C515 PolarHBondContact OD2-SG 3.13Å; D508-R516 PolarHBondContact OD2-N 3.11Å
509V76.8Confident68.4Low15 Ų1585.2 Ų85.29%0.09144%0.436CS..G310 helixtrans-76.3-32.8-175-170.20000112.4L457 M458 C506 A511 E512 C515 Y525L457-V509 HydrophobicContact CD2-CB 4.48Å; L457-V509 HydrophobicContact CD2-CG1 4.2Å; L457-V509 HydrophobicContact CD2-CG2 3.53Å; M458-V509 HydrophobicContact CG-CG1 4.29Å; C506-V509 HydrophobicContact CB-CB 4.24Å; C506-V509 HydrophobicContact CB-CG2 4Å; C506-V509 PolarHBondContact O-N 2.83Å; C506-V509 VanDerWaalsContact O-N 3.09Å; V509-A511 PolarHBondContact O-N 3.39Å; V509-E512 PolarHBondContact O-N 3.04Å; V509-C515 HydrophobicContact CG2-CB 3.71Å; V509-Y525 HydrophobicContact CB-CD1 4.21Å; V509-Y525 HydrophobicContact CB-CG 4.37Å; V509-Y525 HydrophobicContact CG1-CG 4.21Å; V509-Y525 HydrophobicContact CG2-CD1 3.54Å; V509-Y525 HydrophobicContact CG2-CD2 4.28Å; V509-Y525 HydrophobicContact CG2-CE1 3.57Å; V509-Y525 HydrophobicContact CG2-CE2 4.32Å; V509-Y525 HydrophobicContact CG2-CG 3.91Å
510A75.4Confident68.5Low74 Ų7488.2 Ų88.261%0.61245%0.453SS*.G310 helixtrans-65.4-16.6169.300000113.1I505 C506I505-A510 HydrophobicContact CG2-CB 4.03Å; C506-A510 WeakPolarHBondContact O-CB 3.15Å; C506-A510 PolarHBondContact O-N 2.79Å
511A73.9Confident69.6Low61 Ų6181.9 Ų81.950%0.50443%0.425SS..G310 helixtrans-99.613.1171.400000112.8K507 D508 V509 E513K507-A511 WeakPolarHBondContact O-CB 3.17Å; K507-A511 PolarHBondContact O-N 3.01Å; D508-A511 CarbonylContact O-C 3.17Å; D508-A511 WeakPolarHBondContact O-CA 3.45Å; D508-A511 WeakPolarHBondContact O-CB 3.14Å; D508-A511 PolarHBondContact O-N 3.11Å; D508-A511 VanDerWaalsContact O-N 3.13Å; V509-A511 PolarHBondContact O-N 3.39Å; A511-E513 HydrophobicContact CB-CG 4.46Å; A511-E513 PolarHBondContact O-N 3.16Å
512E67.6Low70.4Confident124 Ų12484.1 Ų84.158%0.57943%0.434SS*.THydrogen-bonded Turntrans59.15.3-172.8-54.5-165124.100116.1K456 D508 V509K456-E512 HydrophobicContact CD-CB 4.43Å; K456-E512 IonicContact NZ-OE1 3.69Å; K456-E512 PolarHBondContact NZ-OE1 3.42Å; K456-E512 IonicContact NZ-OE2 3.83Å; K456-E512 PolarHBondContact NZ-OE2 2.73Å; D508-E512 PolarHBondContact O-N 3.37Å; V509-E512 PolarHBondContact O-N 3.04Å
513E67.9Low71.3Confident111 Ų11185.7 Ų85.752%0.51943%0.434SS..  trans-73.2153.3177.7-64.3-167.3158.900111.8D508 A511 C515D508-E513 PolarHBondContact O-N 2.93Å; A511-E513 HydrophobicContact CB-CG 4.46Å; A511-E513 PolarHBondContact O-N 3.16Å; E513-C515 PolarHBondContact O-N 3.18Å
514E67.9Low71.5Confident138 Ų13884.7 Ų84.765%0.64543%0.43SS*.  trans-68.8114.1169.2179.9153.8-119.900109.9L457 R516L457-E514 HydrophobicContact CD1-CG 4.31Å; E514-R516 PolarHBondContact O-N 2.77Å
515C73.9Confident71.7Confident2 Ų279.3 Ų79.31%0.01441%0.409CS..  trans-55.7128.9-173.8179.80000112.1L457 D508 V509 E513 Y517 S518 Y525L457-C515 HydrophobicContact CD2-CB 4.01Å; D508-C515 HydrophobicContact CB-CB 4.16Å; D508-C515 WeakPolarHBondContact OD2-CA 3.27Å; D508-C515 PolarHBondContact OD2-SG 3.13Å; V509-C515 HydrophobicContact CG2-CB 3.71Å; E513-C515 PolarHBondContact O-N 3.18Å; C515-Y517 PolarHBondContact O-N 3.49Å; C515-S518 PolarHBondContact O-N 3.2Å; C515-Y525 HydrophobicContact CB-CE1 4.16Å; C515-Y525 WeakPolarHBondContact CB-OH 3.37Å
516R64.8Low71.8Confident199 Ų19976.5 Ų76.575%0.75140%0.395SS*.THydrogen-bonded Turntrans-63.1-10.5-177.5-146.8-177.8-16190.75114.1D508 E514D508-R516 PolarHBondContact OD2-N 3.11Å; E514-R516 PolarHBondContact O-N 2.77Å
517Y58.2Low71.8Confident151 Ų15180.1 Ų80.159%0.59241%0.412SS*.THydrogen-bonded Turntrans-126.544177.4-56.3-82.6000110.5C515 G519 H520 C521C515-Y517 PolarHBondContact O-N 3.49Å; Y517-G519 PolarHBondContact O-N 2.89Å; Y517-H520 CarbonylContact O-C 3.49Å; Y517-H520 PolarHBondContact O-N 3.4Å; Y517-C521 PolarHBondContact O-N 3.27Å
518S57.8Low72.5Confident76 Ų7672.5 Ų72.553%0.53138%0.379SS..THydrogen-bonded Turntrans-49.2126.2-179.453.20000112C515 H520C515-S518 PolarHBondContact O-N 3.2Å; S518-H520 PolarHBondContact O-N 3.03Å
519G57.5Low73.1Confident60 Ų6070.6 Ų70.662%0.61937%0.369SS*.THydrogen-bonded Turntrans76.1-11.5-175.900000116.6Y517Y517-G519 PolarHBondContact O-N 2.89Å
520H58.5Low73.3Confident163 Ų16370.6 Ų70.676%0.75537%0.368SS*.THydrogen-bonded Turntrans-127.40.1-178.8-66.9-19.3000114.6Y517 S518 T522Y517-H520 CarbonylContact O-C 3.49Å; Y517-H520 PolarHBondContact O-N 3.4Å; S518-H520 PolarHBondContact O-N 3.03Å; H520-T522 PolarHBondContact O-N 3.38Å
521C75Confident73.7Confident7 Ų769.2 Ų69.25%0.04735%0.35CS..  trans-62.3127.2178.5-1690000111.8R491 C506 Y517 F523 Y525R491-C521 PolarHBondContact NH1-O 3.36Å; C506-C521 PolarHBondContact SG-SG 2.84Å; Y517-C521 PolarHBondContact O-N 3.27Å; C521-F523 VanDerWaalsContact C-N 3.27Å; C521-F523 PolarHBondContact O-N 3.49Å; C521-Y525 HydrophobicContact CB-CE1 3.81Å
522T71.1Confident74.1Confident68 Ų6866.3 Ų66.342%0.41733%0.326SS..SBendtrans-75.1-11.7179.845.40000114.4P494 H520P494-T522 HydrophobicContact CB-CG2 4.12Å; H520-T522 PolarHBondContact O-N 3.38Å
523F79.4Confident74.9Confident103 Ų10360.4 Ų60.445%0.45230%0.299SS..SBendtrans-94.9148.9175.2-62.3-89.8000110R491 C506 C521R491-F523 PolarHBondContact NH2-O 2.88Å; C506-F523 HydrophobicContact CB-CB 3.76Å; C521-F523 VanDerWaalsContact C-N 3.27Å; C521-F523 PolarHBondContact O-N 3.49Å
524A82.9Confident75.3Confident0 Ų056.2 Ų56.20%028%0.281CS..BIsolated β-bridgetrans-69.9165.3176.300000111Y504 I505 C506 E529 I530 W533Y504-A524 PolarHBondContact O-N 3.18Å; I505-A524 CarbonylContact C-O 3.57Å; I505-A524 WeakPolarHBondContact CA-O 3.46Å; C506-A524 VanDerWaalsContact CB-O 3.27Å; C506-A524 WeakPolarHBondContact CB-O 3.44Å; C506-A524 PolarHBondContact N-O 2.85Å; A524-E529 VanDerWaalsContact CA-OE2 3.28Å; A524-E529 WeakPolarHBondContact CA-OE2 3.45Å; A524-E529 HydrophobicContact CB-CB 4.24Å; A524-E529 HydrophobicContact CB-CG 4.11Å; A524-I530 HydrophobicContact CB-CD1 4.3Å; A524-I530 HydrophobicContact CB-CG1 3.41Å; A524-I530 VanDerWaalsContact CB-CG1 3.41Å; A524-W533 HydrophobicContact CB-CE3 4.14Å; A524-W533 HydrophobicContact CB-CH2 4.38Å; A524-W533 HydrophobicContact CB-CZ3 3.97Å
525Y84.1Confident75.7Confident24 Ų2451 Ų519%0.09426%0.257CS..SBendtrans-112.3-17.2-179.3-70.9-3.2000112.6L457 M458 C506 V509 C515 C521 E529L457-Y525 HydrophobicContact CD2-CD2 4.36Å; L457-Y525 HydrophobicContact CD2-CE2 3.88Å; M458-Y525 HydrophobicContact CE-CD2 4.08Å; M458-Y525 HydrophobicContact CE-CG 4.23Å; C506-Y525 HydrophobicContact CB-CD1 3.75Å; C506-Y525 HydrophobicContact CB-CE1 3.95Å; V509-Y525 HydrophobicContact CB-CD1 4.21Å; V509-Y525 HydrophobicContact CB-CG 4.37Å; V509-Y525 HydrophobicContact CG1-CG 4.21Å; V509-Y525 HydrophobicContact CG2-CD1 3.54Å; V509-Y525 HydrophobicContact CG2-CD2 4.28Å; V509-Y525 HydrophobicContact CG2-CE1 3.57Å; V509-Y525 HydrophobicContact CG2-CE2 4.32Å; V509-Y525 HydrophobicContact CG2-CG 3.91Å; C515-Y525 HydrophobicContact CB-CE1 4.16Å; C515-Y525 WeakPolarHBondContact CB-OH 3.37Å; C521-Y525 HydrophobicContact CB-CE1 3.81Å; Y525-E529 PolarHBondContact N-OE2 3Å
526C84.3Confident75.7Confident11 Ų1151.8 Ų51.87%0.07426%0.261CS..SBendtrans-151.1172.4175.667.40000110.7K488 E528 E529 I530K488-C526 HydrophobicContact CB-CB 4.26Å; K488-C526 VanDerWaalsContact CB-SG 3.58Å; K488-C526 HydrophobicContact CG-CB 4.17Å; C526-E528 WeakPolarHBondContact CB-OE2 3.33Å; C526-E528 PolarHBondContact SG-OE2 2.88Å; C526-E529 PolarHBondContact O-N 2.7Å; C526-I530 PolarHBondContact O-N 3.16Å
527Q81.4Confident76Confident80 Ų8044.5 Ų44.537%0.37423%0.233SC..Hα-helixtrans-69.2-38-177.7-175.258.438.100112.4I479 E529 I530 D531I479-Q527 HydrophobicContact CD1-CG 4.34Å; Q527-E529 PolarHBondContact O-N 2.85Å; Q527-I530 WeakPolarHBondContact O-CA 3.2Å; Q527-I530 WeakPolarHBondContact O-CB 3.16Å; Q527-I530 PolarHBondContact O-N 3.38Å; Q527-D531 PolarHBondContact NE2-OD1 3.28Å; Q527-D531 PolarHBondContact O-N 3.27Å
528E87.9Confident76.2Confident15 Ų1541.7 Ų41.77%0.0722%0.224CC..Hα-helixtrans-61.7-30.9177.4-54.287162.200111.5I479 K488 I490 C526 V532I479-E528 HydrophobicContact CG1-CG 3.86Å; K488-E528 WeakPolarHBondContact CG-OE2 3.35Å; I490-E528 HydrophobicContact CD1-CB 3.9Å; I490-E528 HydrophobicContact CG1-CB 4.38Å; C526-E528 WeakPolarHBondContact CB-OE2 3.33Å; C526-E528 PolarHBondContact SG-OE2 2.88Å; E528-V532 WeakPolarHBondContact O-CB 3.26Å; E528-V532 WeakPolarHBondContact O-CG2 3.47Å; E528-V532 PolarHBondContact O-N 3.1Å
529E88.1Confident76.3Confident0 Ų038.7 Ų38.70%021%0.205CC..Hα-helixtrans-74.6-36.6173.3-172.3171.5-117.800112.1I490 R491 A524 Y525 C526 Q527 W533I490-E529 HydrophobicContact CG2-CB 4.37Å; I490-E529 HydrophobicContact CG2-CG 4.24Å; R491-E529 WeakPolarHBondContact CA-OE1 3.22Å; R491-E529 WeakPolarHBondContact CB-OE1 3.38Å; R491-E529 VanDerWaalsContact CG-OE1 3.26Å; R491-E529 WeakPolarHBondContact CG-OE1 3.48Å; R491-E529 IonicContact CZ-OE1 2.7Å; R491-E529 IonicContact CZ-OE2 3.41Å; R491-E529 PolarHBondContact N-OE1 2.85Å; R491-E529 IonicContact NE-OE1 3.24Å; R491-E529 PolarHBondContact NE-OE1 3.3Å; R491-E529 IonicContact NE-OE2 2.66Å; R491-E529 PolarHBondContact NE-OE2 3.38Å; R491-E529 IonicContact NH2-OE1 3.79Å; R491-E529 IonicContact NH2-OE2 3.38Å; R491-E529 PolarHBondContact NH2-OE2 3.05Å; A524-E529 VanDerWaalsContact CA-OE2 3.28Å; A524-E529 WeakPolarHBondContact CA-OE2 3.45Å; A524-E529 HydrophobicContact CB-CB 4.24Å; A524-E529 HydrophobicContact CB-CG 4.11Å; Y525-E529 PolarHBondContact N-OE2 3Å; C526-E529 PolarHBondContact O-N 2.7Å; Q527-E529 PolarHBondContact O-N 2.85Å; E529-W533 VanDerWaalsContact CD-CZ2 3.42Å; E529-W533 HydrophobicContact CG-CD2 3.95Å; E529-W533 HydrophobicContact CG-CG 4.28Å; E529-W533 HydrophobicContact CG-CH2 4.43Å; E529-W533 HydrophobicContact CG-CZ2 3.65Å; E529-W533 WeakPolarHBondContact O-CB 3.33Å; E529-W533 PolarHBondContact O-N 2.81Å
530I82.6Confident76.5Confident16 Ų1637.4 Ų37.48%0.08219%0.189CC..Hα-helixtrans-61.1-45170.8-70.7177.5000111.2I505 A524 C526 Q527 T534I505-I530 HydrophobicContact CD1-CD1 4.46Å; I505-I530 HydrophobicContact CG1-CD1 3.57Å; A524-I530 HydrophobicContact CB-CD1 4.3Å; A524-I530 HydrophobicContact CB-CG1 3.41Å; A524-I530 VanDerWaalsContact CB-CG1 3.41Å; C526-I530 PolarHBondContact O-N 3.16Å; Q527-I530 WeakPolarHBondContact O-CA 3.2Å; Q527-I530 WeakPolarHBondContact O-CB 3.16Å; Q527-I530 PolarHBondContact O-N 3.38Å; I530-T534 WeakPolarHBondContact O-CB 3.48Å; I530-T534 PolarHBondContact O-N 2.55Å; I530-T534 PolarHBondContact O-OG1 3.34Å
531D82.4Confident77.1Confident45 Ų4530.2 Ų30.224%0.24116%0.155CC..Hα-helixtrans-71.4-45.3-174.9-71.5-10.5000111.1L436 H440 Q527 T534 L535L436-D531 HydrophobicContact CD1-CB 4.49Å; H440-D531 IonicContact CE1-OD2 2.99Å; H440-D531 PolarHBondContact CE1-OD2 2.64Å; H440-D531 IonicContact NE2-OD2 2.83Å; Q527-D531 PolarHBondContact NE2-OD1 3.28Å; Q527-D531 PolarHBondContact O-N 3.27Å; D531-T534 PolarHBondContact O-N 2.9Å; D531-L535 PolarHBondContact O-N 2.8Å
532V82.3Confident76.7Confident0 Ų031.4 Ų31.40%016%0.164CC..Hα-helixtrans-63.3-47.4173.3168.10000111.5L436 L442 L475 I490 E528 T534 L535 E536 F541L436-V532 HydrophobicContact CD1-CG2 3.69Å; L442-V532 HydrophobicContact CD1-CG2 4.31Å; L442-V532 HydrophobicContact CD2-CG2 4.45Å; L475-V532 HydrophobicContact CD2-CG1 4.48Å; I490-V532 HydrophobicContact CD1-CB 4.46Å; I490-V532 HydrophobicContact CD1-CG2 3.9Å; I490-V532 HydrophobicContact CG2-CB 4.1Å; I490-V532 HydrophobicContact CG2-CG1 3.92Å; E528-V532 WeakPolarHBondContact O-CB 3.26Å; E528-V532 WeakPolarHBondContact O-CG2 3.47Å; E528-V532 PolarHBondContact O-N 3.1Å; V532-T534 PolarHBondContact O-N 2.75Å; V532-L535 PolarHBondContact O-N 2.74Å; V532-E536 HydrophobicContact CG1-CG 4.4Å; V532-E536 WeakPolarHBondContact CG1-OE1 3.18Å; V532-E536 WeakPolarHBondContact O-CB 3.21Å; V532-E536 VanDerWaalsContact O-CG 3.27Å; V532-E536 WeakPolarHBondContact O-CG 3.28Å; V532-E536 PolarHBondContact O-N 3.19Å; V532-F541 HydrophobicContact CG1-CD1 3.87Å; V532-F541 HydrophobicContact CG1-CE1 3.72Å; V532-F541 HydrophobicContact CG1-CZ 4.44Å
533W84.3Confident76.6Confident0 Ų029 Ų290%015%0.147CC..Hα-helixtrans-62.2-33.1175.9-70.85.4000112.3R491 R493 P494 Y503 A524 E529 E536 R537R491-W533 PolarHBondContact O-NE1 3.32Å; R493-W533 HydrophobicContact CB-CG 4.16Å; R493-W533 HydrophobicContact CG-CB 4.26Å; R493-W533 HydrophobicContact CG-CD2 4.35Å; R493-W533 HydrophobicContact CG-CG 4.11Å; P494-W533 VanDerWaalsContact CD-CZ2 3.49Å; P494-W533 VanDerWaalsContact CD-CZ3 3.42Å; P494-W533 HydrophobicContact CG-CE3 4.46Å; P494-W533 HydrophobicContact CG-CH2 3.47Å; P494-W533 VanDerWaalsContact CG-CH2 3.47Å; P494-W533 HydrophobicContact CG-CZ2 4.06Å; P494-W533 HydrophobicContact CG-CZ3 3.7Å; Y503-W533 AromaticContact CD1-CE3 3.89Å; Y503-W533 HydrophobicContact CD1-CE3 3.89Å; Y503-W533 HydrophobicContact CD1-CZ3 4.47Å; Y503-W533 HydrophobicContact CD2-CB 3.66Å; Y503-W533 HydrophobicContact CD2-CE3 4.48Å; Y503-W533 HydrophobicContact CE1-CE3 4.28Å; Y503-W533 HydrophobicContact CE2-CB 3.71Å; Y503-W533 WeakPolarHBondContact CE2-O 3.36Å; Y503-W533 HydrophobicContact CG-CB 4.33Å; Y503-W533 HydrophobicContact CG-CE3 4.03Å; A524-W533 HydrophobicContact CB-CE3 4.14Å; A524-W533 HydrophobicContact CB-CH2 4.38Å; A524-W533 HydrophobicContact CB-CZ3 3.97Å; E529-W533 VanDerWaalsContact CD-CZ2 3.42Å; E529-W533 HydrophobicContact CG-CD2 3.95Å; E529-W533 HydrophobicContact CG-CG 4.28Å; E529-W533 HydrophobicContact CG-CH2 4.43Å; E529-W533 HydrophobicContact CG-CZ2 3.65Å; E529-W533 WeakPolarHBondContact O-CB 3.33Å; E529-W533 PolarHBondContact O-N 2.81Å; W533-E536 PolarHBondContact O-N 2.82Å; W533-R537 WeakPolarHBondContact O-CB 3.5Å; W533-R537 PolarHBondContact O-N 2.9Å
534T77Confident75.6Confident23 Ų2328.4 Ų28.414%0.14115%0.146CC..Hα-helixtrans-69-38.9177-70.80000112.2I530 D531 V532 K538I530-T534 WeakPolarHBondContact O-CB 3.48Å; I530-T534 PolarHBondContact O-N 2.55Å; I530-T534 PolarHBondContact O-OG1 3.34Å; D531-T534 PolarHBondContact O-N 2.9Å; V532-T534 PolarHBondContact O-N 2.75Å; T534-K538 HydrophobicContact CG2-CD 4.36Å; T534-K538 WeakPolarHBondContact O-CG 3.24Å; T534-K538 PolarHBondContact O-N 3.46Å; T534-K538 VanDerWaalsContact O-N 3.09Å
535L75.3Confident74.5Confident28 Ų2830.8 Ų30.815%0.14717%0.165CC..Hα-helixtrans-73.8-32.8173-66-171.9000112.7P435 L436 D531 V532 R537 K538 G539 A540 F541P435-L535 HydrophobicContact CB-CD1 4.14Å; L436-L535 HydrophobicContact CD1-CD1 4.04Å; L436-L535 HydrophobicContact CD2-CD1 3.63Å; L436-L535 HydrophobicContact CG-CD1 3.51Å; D531-L535 PolarHBondContact O-N 2.8Å; V532-L535 PolarHBondContact O-N 2.74Å; L535-R537 VanDerWaalsContact C-N 3.33Å; L535-K538 HydrophobicContact CD2-CD 4.39Å; L535-K538 CarbonylContact O-C 3.58Å; L535-K538 PolarHBondContact O-N 3.15Å; L535-G539 CarbonylContact O-C 3.53Å; L535-G539 PolarHBondContact O-N 3.39Å; L535-A540 HydrophobicContact CD2-CB 4.38Å; L535-A540 PolarHBondContact O-N 3.29Å; L535-F541 HydrophobicContact CB-CB 3.5Å; L535-F541 HydrophobicContact CD1-CB 4.31Å; L535-F541 PolarHBondContact O-N 2.86Å
536E74.9Confident73.3Confident18 Ų1831.6 Ų31.68%0.08417%0.17CC..Hα-helixtrans-66.2-36.3171.8-72.3167.2-179.400111.9R493 V532 W533 K538 G539 F541 R543R493-E536 PolarHBondContact NH1-O 2.8Å; V532-E536 HydrophobicContact CG1-CG 4.4Å; V532-E536 WeakPolarHBondContact CG1-OE1 3.18Å; V532-E536 WeakPolarHBondContact O-CB 3.21Å; V532-E536 VanDerWaalsContact O-CG 3.27Å; V532-E536 WeakPolarHBondContact O-CG 3.28Å; V532-E536 PolarHBondContact O-N 3.19Å; W533-E536 PolarHBondContact O-N 2.82Å; E536-K538 VanDerWaalsContact C-N 3.32Å; E536-G539 PolarHBondContact O-N 2.65Å; E536-F541 HydrophobicContact CG-CB 4.3Å; E536-F541 HydrophobicContact CG-CD1 3.76Å; E536-F541 WeakPolarHBondContact CG-O 3.5Å; E536-F541 WeakPolarHBondContact OE1-CD1 3.4Å; E536-R543 VanDerWaalsContact CD-CZ 3.44Å; E536-R543 IonicContact OE1-CZ 2.71Å; E536-R543 IonicContact OE1-NE 3.1Å; E536-R543 IonicContact OE1-NH1 2.73Å; E536-R543 PolarHBondContact OE1-NH1 3.33Å; E536-R543 IonicContact OE1-NH2 2.62Å; E536-R543 PolarHBondContact OE1-NH2 2.93Å; E536-R543 IonicContact OE2-CZ 2.81Å; E536-R543 IonicContact OE2-NH1 2.75Å; E536-R543 PolarHBondContact OE2-NH1 2.83Å; E536-R543 IonicContact OE2-NH2 3.32Å; E536-R543 PolarHBondContact OE2-NH2 3.24Å
537R70.8Confident72.2Confident46 Ų4633.5 Ų33.517%0.17418%0.176CC..Hα-helixtrans-63.6-38170.4174.717152.5109.21.3111.2Y499 E500 G501 Y503 W533 L535 G539 L655Y499-R537 WeakPolarHBondContact O-CD 3.33Å; E500-R537 PolarHBondContact O-NH1 3.33Å; G501-R537 PolarHBondContact O-NE 3Å; G501-R537 PolarHBondContact O-NH1 3.23Å; G501-R537 PolarHBondContact O-NH2 2.91Å; Y503-R537 HydrophobicContact CE2-CB 4.08Å; W533-R537 WeakPolarHBondContact O-CB 3.5Å; W533-R537 PolarHBondContact O-N 2.9Å; L535-R537 VanDerWaalsContact C-N 3.33Å; R537-G539 VanDerWaalsContact C-N 3.3Å; R537-L655 WeakPolarHBondContact O-CD2 3.43Å
538K63Low70.5Confident92 Ų9232.3 Ų32.340%0.419%0.186SC..THydrogen-bonded Turntrans-79.6-6.5174.3-66.9168.7-178.7176.80113.9T534 L535 E536 A540 L658T534-K538 HydrophobicContact CG2-CD 4.36Å; T534-K538 WeakPolarHBondContact O-CG 3.24Å; T534-K538 PolarHBondContact O-N 3.46Å; T534-K538 VanDerWaalsContact O-N 3.09Å; L535-K538 HydrophobicContact CD2-CD 4.39Å; L535-K538 CarbonylContact O-C 3.58Å; L535-K538 PolarHBondContact O-N 3.15Å; E536-K538 VanDerWaalsContact C-N 3.32Å; K538-A540 PolarHBondContact O-N 2.93Å; K538-L658 VanDerWaalsContact O-CD2 3.23Å; K538-L658 WeakPolarHBondContact O-CD2 3.19Å
539G60Low68.1Low13 Ų1334.5 Ų34.513%0.13421%0.212CC..THydrogen-bonded Turntrans73.5-13.9-173.100000115.7L535 E536 R537 F541L535-G539 CarbonylContact O-C 3.53Å; L535-G539 PolarHBondContact O-N 3.39Å; E536-G539 PolarHBondContact O-N 2.65Å; R537-G539 VanDerWaalsContact C-N 3.3Å; G539-F541 PolarHBondContact O-N 3.39Å; G539-F541 VanDerWaalsContact O-N 3.1Å
540A62Low65.6Low34 Ų3442.5 Ų42.528%0.28126%0.255SS..SBendtrans-62.3-15.2179.200000115P435 L535 K538P435-A540 WeakPolarHBondContact CD-O 3.27Å; P435-A540 VanDerWaalsContact CG-O 3.26Å; P435-A540 WeakPolarHBondContact CG-O 3.35Å; L535-A540 HydrophobicContact CD2-CB 4.38Å; L535-A540 PolarHBondContact O-N 3.29Å; K538-A540 PolarHBondContact O-N 2.93Å
541F69.8Low63.9Low11 Ų1145 Ų455%0.04829%0.285CS..  trans-125134.3172.6-174-88.5000111.4H434 L442 V532 L535 E536 G539 R543 F546H434-F541 HydrophobicContact CB-CD2 4.26Å; H434-F541 HydrophobicContact CB-CE2 4.03Å; L442-F541 HydrophobicContact CD1-CE2 3.55Å; L442-F541 HydrophobicContact CD1-CZ 3.66Å; V532-F541 HydrophobicContact CG1-CD1 3.87Å; V532-F541 HydrophobicContact CG1-CE1 3.72Å; V532-F541 HydrophobicContact CG1-CZ 4.44Å; L535-F541 HydrophobicContact CB-CB 3.5Å; L535-F541 HydrophobicContact CD1-CB 4.31Å; L535-F541 PolarHBondContact O-N 2.86Å; E536-F541 HydrophobicContact CG-CB 4.3Å; E536-F541 HydrophobicContact CG-CD1 3.76Å; E536-F541 WeakPolarHBondContact CG-O 3.5Å; E536-F541 WeakPolarHBondContact OE1-CD1 3.4Å; G539-F541 PolarHBondContact O-N 3.39Å; G539-F541 VanDerWaalsContact O-N 3.1Å; F541-R543 HydrophobicContact CE1-CB 4.25Å; F541-F546 HydrophobicContact CZ-CB 4.19Å; F541-F546 HydrophobicContact CZ-CD2 4.44Å; F541-F546 HydrophobicContact CZ-CG 4.33Å
542S66.4Low62Low33 Ų3349.6 Ų49.623%0.23130%0.303CS..  trans-115.6116.5172.4167.30000109.7E544 A545 F546 I553S542-E544 VanDerWaalsContact C-N 3.31Å; S542-A545 WeakPolarHBondContact OG-CB 3.42Å; S542-A545 PolarHBondContact OG-N 2.99Å; S542-F546 PolarHBondContact O-N 3.5Å; S542-I553 WeakPolarHBondContact OG-CD1 3.29Å
543R69.4Low60.3Low16 Ų1650.1 Ų50.16%0.0631%0.306CS..Hα-helixtrans-66.3-37.9176.4174179.4-68.393.85.5110.9L475 R491 E536 F541 F546 F547L475-R543 HydrophobicContact CD2-CG 4.35Å; R491-R543 PolarHBondContact O-NH2 3.09Å; E536-R543 VanDerWaalsContact CD-CZ 3.44Å; E536-R543 IonicContact OE1-CZ 2.71Å; E536-R543 IonicContact OE1-NE 3.1Å; E536-R543 IonicContact OE1-NH1 2.73Å; E536-R543 PolarHBondContact OE1-NH1 3.33Å; E536-R543 IonicContact OE1-NH2 2.62Å; E536-R543 PolarHBondContact OE1-NH2 2.93Å; E536-R543 IonicContact OE2-CZ 2.81Å; E536-R543 IonicContact OE2-NH1 2.75Å; E536-R543 PolarHBondContact OE2-NH1 2.83Å; E536-R543 IonicContact OE2-NH2 3.32Å; E536-R543 PolarHBondContact OE2-NH2 3.24Å; F541-R543 HydrophobicContact CE1-CB 4.25Å; R543-F546 WeakPolarHBondContact O-CB 3.39Å; R543-F546 PolarHBondContact O-N 3.48Å; R543-F547 HydrophobicContact CG-CD2 3.68Å; R543-F547 HydrophobicContact CG-CE2 3.52Å; R543-F547 VanDerWaalsContact O-CD2 3.26Å; R543-F547 WeakPolarHBondContact O-CD2 3.32Å; R543-F547 PolarHBondContact O-N 3.01Å; R543-F547 VanDerWaalsContact O-N 3.08Å
544E58.5Low58.8Low92 Ų9255.4 Ų55.443%0.4333%0.334SS..Hα-helixtrans-72.9-36.5-175.5-67.781.1-176.300111.8S542 F546 F547 I553S542-E544 VanDerWaalsContact C-N 3.31Å; E544-F546 VanDerWaalsContact C-N 3.3Å; E544-F546 PolarHBondContact O-N 3.21Å; E544-F547 PolarHBondContact O-N 2.7Å; E544-I553 HydrophobicContact CB-CB 4.14Å; E544-I553 HydrophobicContact CB-CD1 4.18Å; E544-I553 HydrophobicContact CB-CG1 3.66Å; E544-I553 HydrophobicContact CB-CG2 3.99Å; E544-I553 HydrophobicContact CG-CG2 3.89Å
545A59.6Low58.1Low49 Ų4956.2 Ų56.241%0.40534%0.337SS..Hα-helixtrans-63.1-37.8168.300000111.6S542 F547S542-A545 WeakPolarHBondContact OG-CB 3.42Å; S542-A545 PolarHBondContact OG-N 2.99Å; A545-F547 VanDerWaalsContact C-N 3.32Å; A545-F547 PolarHBondContact O-N 2.92Å
546F59.9Low58.1Low42 Ų4257.3 Ų57.318%0.18435%0.345CS..Hα-helixtrans-69.1-25.9177.3-167.6-88.3000113.4L442 Q444 L475 F541 S542 R543 E544 G548L442-F546 HydrophobicContact CB-CE1 4.12Å; L442-F546 HydrophobicContact CB-CE2 3.79Å; L442-F546 HydrophobicContact CB-CZ 3.47Å; L442-F546 VanDerWaalsContact CB-CZ 3.47Å; L442-F546 HydrophobicContact CD1-CE2 4.46Å; L442-F546 WeakPolarHBondContact O-CZ 3.49Å; Q444-F546 HydrophobicContact CG-CD1 4.43Å; Q444-F546 HydrophobicContact CG-CE1 4.13Å; Q444-F546 PolarHBondContact NE2-O 2.78Å; L475-F546 HydrophobicContact CD1-CD1 3.48Å; L475-F546 VanDerWaalsContact CD1-CD1 3.48Å; L475-F546 HydrophobicContact CD1-CE1 3.49Å; L475-F546 VanDerWaalsContact CD1-CE1 3.49Å; L475-F546 HydrophobicContact CD1-CG 4.45Å; L475-F546 HydrophobicContact CD1-CZ 4.46Å; F541-F546 HydrophobicContact CZ-CB 4.19Å; F541-F546 HydrophobicContact CZ-CD2 4.44Å; F541-F546 HydrophobicContact CZ-CG 4.33Å; S542-F546 PolarHBondContact O-N 3.5Å; R543-F546 WeakPolarHBondContact O-CB 3.39Å; R543-F546 PolarHBondContact O-N 3.48Å; E544-F546 VanDerWaalsContact C-N 3.3Å; E544-F546 PolarHBondContact O-N 3.21Å; F546-G548 PolarHBondContact O-N 2.83Å
547F59.9Low58.3Low50 Ų5056.4 Ų56.422%0.21934%0.341CS..THydrogen-bonded Turntrans-78.7-9.3-176.9-91.5-61.5000115.9Q444 K472 L475 R543 E544 A545 G549Q444-F547 HydrophobicContact CG-CD1 4.27Å; Q444-F547 PolarHBondContact NE2-O 2.94Å; K472-F547 WeakPolarHBondContact O-CD1 3.46Å; K472-F547 WeakPolarHBondContact O-CE1 3.38Å; L475-F547 HydrophobicContact CB-CE1 4.43Å; L475-F547 HydrophobicContact CB-CE2 4.11Å; L475-F547 HydrophobicContact CB-CZ 3.67Å; L475-F547 VanDerWaalsContact N-CZ 3.35Å; R543-F547 HydrophobicContact CG-CD2 3.68Å; R543-F547 HydrophobicContact CG-CE2 3.52Å; R543-F547 VanDerWaalsContact O-CD2 3.26Å; R543-F547 WeakPolarHBondContact O-CD2 3.32Å; R543-F547 PolarHBondContact O-N 3.01Å; R543-F547 VanDerWaalsContact O-N 3.08Å; E544-F547 PolarHBondContact O-N 2.7Å; A545-F547 VanDerWaalsContact C-N 3.32Å; A545-F547 PolarHBondContact O-N 2.92Å; F547-G549 PolarHBondContact O-N 3.15Å
548G46.7Very low58.5Low55 Ų5558.6 Ų58.657%0.56735%0.352SS*.  trans61.434.5154.400000117.2F546F546-G548 PolarHBondContact O-N 2.83Å
549G37.2Very low58.9Low61 Ų6159.2 Ų59.263%0.62936%0.355SS*.SBendtrans-112.5120.6157.400000108.8F547 G551F547-G549 PolarHBondContact O-N 3.15Å; G549-G551 PolarHBondContact O-N 2.96Å
550N35.7Very low59.7Low168 Ų16858.7 Ų58.790%0.89835%0.349SS*.SBendtrans5.990.9-175.8-71.17.5000115.1K552N550-K552 PolarHBondContact O-N 3.36Å; N550-K552 VanDerWaalsContact O-N 3.1Å
551G47.2Very low60.4Low70 Ų7057.2 Ų57.272%0.72234%0.336SS*.  trans-49.8110.3-161.300000115.3G549G549-G551 PolarHBondContact O-N 2.96Å
552K41.4Very low60.5Low141 Ų14161.7 Ų61.761%0.61336%0.357SS*.  trans-139.9115.7151.5-70.9-163.9174-169.50108.4N550 N554N550-K552 PolarHBondContact O-N 3.36Å; N550-K552 VanDerWaalsContact O-N 3.1Å; K552-N554 PolarHBondContact O-N 3.49Å
553I48.3Very low60.7Low10 Ų1061.3 Ų61.35%0.05135%0.352CS..  trans-65.9120.5159.4-46.6-169.5000105.3S542 E544 L555 I662 E666S542-I553 WeakPolarHBondContact OG-CD1 3.29Å; E544-I553 HydrophobicContact CB-CB 4.14Å; E544-I553 HydrophobicContact CB-CD1 4.18Å; E544-I553 HydrophobicContact CB-CG1 3.66Å; E544-I553 HydrophobicContact CB-CG2 3.99Å; E544-I553 HydrophobicContact CG-CG2 3.89Å; I553-L555 HydrophobicContact CG2-CB 3.98Å; I553-L555 HydrophobicContact CG2-CD1 3.86Å; I553-L555 PolarHBondContact O-N 2.9Å; I553-I662 HydrophobicContact CD1-CG2 3.84Å; I553-E666 WeakPolarHBondContact CB-OE2 3.26Å; I553-E666 WeakPolarHBondContact CD1-OE1 3.25Å; I553-E666 VanDerWaalsContact CD1-OE2 3.23Å; I553-E666 WeakPolarHBondContact CD1-OE2 3.47Å; I553-E666 VanDerWaalsContact CG1-CD 3.48Å; I553-E666 WeakPolarHBondContact CG1-OE1 3.11Å; I553-E666 WeakPolarHBondContact CG1-OE2 3.24Å
554N52.3Low60.7Low112 Ų11261.3 Ų61.360%0.59935%0.353SS*.  trans-77.354.1170-76.5-57.3000109.7K552 T556 K559K552-N554 PolarHBondContact O-N 3.49Å; N554-T556 PolarHBondContact O-N 2.95Å; N554-K559 WeakPolarHBondContact O-CD 3.18Å; N554-K559 WeakPolarHBondContact O-CE 3.33Å; N554-K559 PolarHBondContact O-NZ 3.29Å
555L62.5Low61.5Low39 Ų3962 Ų6220%0.20436%0.358CS..  trans-77.2109.5162.7-131.777.3000105.6I553 K659 M663I553-L555 HydrophobicContact CG2-CB 3.98Å; I553-L555 HydrophobicContact CG2-CD1 3.86Å; I553-L555 PolarHBondContact O-N 2.9Å; L555-K659 HydrophobicContact CD2-CB 3.93Å; L555-K659 HydrophobicContact CD2-CG 4.28Å; L555-K659 WeakPolarHBondContact CD2-O 3.45Å; L555-M663 HydrophobicContact CB-CB 4.38Å; L555-M663 HydrophobicContact CB-CG 4.5Å; L555-M663 HydrophobicContact CD2-CB 4.31Å; L555-M663 WeakPolarHBondContact O-CG 3.37Å
556T75.3Confident62.6Low51 Ų5160.4 Ų60.431%0.31335%0.347SS..  trans-114.4157.2175.858.40000109N554 F558 K559 L560N554-T556 PolarHBondContact O-N 2.95Å; T556-F558 PolarHBondContact O-N 3.04Å; T556-K559 PolarHBondContact O-N 3Å; T556-K559 PolarHBondContact OG1-N 2.89Å; T556-L560 PolarHBondContact O-N 3.35Å
557V78.8Confident63.9Low0 Ų060.3 Ų60.30%035%0.347CS..Hα-helixtrans-59.8-38.1179.9-165.10000109.7K559 L560 L561 F568 M663 I669 I674 E677V557-K559 PolarHBondContact O-N 2.71Å; V557-L560 PolarHBondContact O-N 3.26Å; V557-L561 HydrophobicContact CG1-CD1 3.89Å; V557-L561 HydrophobicContact CG1-CG 4.29Å; V557-L561 WeakPolarHBondContact O-CB 3.36Å; V557-L561 VanDerWaalsContact O-CG 3.28Å; V557-L561 WeakPolarHBondContact O-CG 3.13Å; V557-L561 PolarHBondContact O-N 2.99Å; V557-F568 HydrophobicContact CG1-CD2 4.13Å; V557-F568 HydrophobicContact CG1-CE2 4.37Å; V557-M663 HydrophobicContact CG2-CE 4.1Å; V557-M663 HydrophobicContact CG2-SD 4.14Å; V557-I669 HydrophobicContact CG2-CD1 3.94Å; V557-I674 HydrophobicContact CG1-CG2 3.91Å; V557-I674 HydrophobicContact CG2-CB 4.34Å; V557-I674 HydrophobicContact CG2-CG1 4.17Å; V557-I674 HydrophobicContact CG2-CG2 4.2Å; V557-E677 HydrophobicContact CB-CB 3.95Å; V557-E677 VanDerWaalsContact CB-CD 3.46Å; V557-E677 HydrophobicContact CB-CG 3.91Å; V557-E677 WeakPolarHBondContact CB-OE1 2.96Å; V557-E677 HydrophobicContact CG1-CB 4.43Å; V557-E677 HydrophobicContact CG2-CB 3.94Å; V557-E677 HydrophobicContact CG2-CG 4.21Å; V557-E677 WeakPolarHBondContact CG2-OE2 3.35Å; V557-E677 PolarHBondContact N-OE1 3.07Å; V557-E677 VanDerWaalsContact N-OE1 3.16Å
558F74.8Confident65.4Low92 Ų9258 Ų5840%0.40434%0.337SS..Hα-helixtrans-47.6-53.6168.1-178.8-85.8000113.8T556 L561 Q562 E677 Y681T556-F558 PolarHBondContact O-N 3.04Å; F558-L561 PolarHBondContact O-N 3.07Å; F558-Q562 HydrophobicContact CE1-CG 4.25Å; F558-Q562 VanDerWaalsContact CE1-NE2 3.31Å; F558-Q562 VanDerWaalsContact CZ-NE2 3.35Å; F558-Q562 WeakPolarHBondContact O-CG 3.4Å; F558-Q562 PolarHBondContact O-N 3.32Å; F558-E677 PolarHBondContact N-OE1 3.06Å; F558-Y681 AromaticContact CD2-CD2 3.54Å; F558-Y681 HydrophobicContact CD2-CD2 3.54Å; F558-Y681 AromaticContact CD2-CE2 3.7Å; F558-Y681 HydrophobicContact CD2-CE2 3.7Å; F558-Y681 AromaticContact CE2-CD2 3.83Å; F558-Y681 HydrophobicContact CE2-CD2 3.83Å; F558-Y681 AromaticContact CE2-CE2 3.62Å; F558-Y681 HydrophobicContact CE2-CE2 3.62Å; F558-Y681 HydrophobicContact CG-CD2 4.48Å; F558-Y681 HydrophobicContact CZ-CE2 4.41Å
559K72.4Confident67.4Low104 Ų10457.1 Ų57.145%0.45232%0.319SS..Hα-helixtrans-67.5-38.9179.7-73.8-174.8-173.4172.10112N554 T556 V557 L561 Q562 E563N554-K559 WeakPolarHBondContact O-CD 3.18Å; N554-K559 WeakPolarHBondContact O-CE 3.33Å; N554-K559 PolarHBondContact O-NZ 3.29Å; T556-K559 PolarHBondContact O-N 3Å; T556-K559 PolarHBondContact OG1-N 2.89Å; V557-K559 PolarHBondContact O-N 2.71Å; K559-L561 VanDerWaalsContact C-N 3.32Å; K559-L561 PolarHBondContact O-N 2.78Å; K559-Q562 PolarHBondContact O-N 3.15Å; K559-E563 PolarHBondContact O-N 3.43Å
560L75.6Confident70Confident3 Ų355.7 Ų55.72%0.01630%0.295CS..Hα-helixtrans-65.2-39.6-178.9-156.9164.1000110.1T556 V557 E563 H564 F568 V656 K659 V660 M663T556-L560 PolarHBondContact O-N 3.35Å; V557-L560 PolarHBondContact O-N 3.26Å; L560-E563 PolarHBondContact O-N 3.38Å; L560-H564 HydrophobicContact CD2-CB 4.38Å; L560-H564 WeakPolarHBondContact O-CB 3.19Å; L560-H564 PolarHBondContact O-N 3.09Å; L560-F568 HydrophobicContact CD2-CE2 3.84Å; L560-F568 HydrophobicContact CD2-CZ 3.59Å; L560-V656 HydrophobicContact CD2-CG1 4.07Å; L560-K659 HydrophobicContact CD1-CB 3.79Å; L560-K659 HydrophobicContact CG-CB 4.35Å; L560-V660 HydrophobicContact CD1-CG2 3.95Å; L560-M663 HydrophobicContact CD1-CE 4.42Å
561L76.6Confident72.5Confident2 Ų247.8 Ų47.81%0.0125%0.253CS..Hα-helixtrans-68.1-34.7171.6-71165.6000113.3V557 F558 K559 E563 L565 G566 F568 Y681V557-L561 HydrophobicContact CG1-CD1 3.89Å; V557-L561 HydrophobicContact CG1-CG 4.29Å; V557-L561 WeakPolarHBondContact O-CB 3.36Å; V557-L561 VanDerWaalsContact O-CG 3.28Å; V557-L561 WeakPolarHBondContact O-CG 3.13Å; V557-L561 PolarHBondContact O-N 2.99Å; F558-L561 PolarHBondContact O-N 3.07Å; K559-L561 VanDerWaalsContact C-N 3.32Å; K559-L561 PolarHBondContact O-N 2.78Å; L561-E563 VanDerWaalsContact C-N 3.34Å; L561-L565 WeakPolarHBondContact O-CA 3.35Å; L561-L565 PolarHBondContact O-N 2.87Å; L561-G566 VanDerWaalsContact CD2-O 3.29Å; L561-G566 WeakPolarHBondContact CD2-O 3.34Å; L561-F568 HydrophobicContact CD2-CD2 3.83Å; L561-F568 HydrophobicContact CD2-CE2 3.91Å; L561-F568 HydrophobicContact CG-CD2 4.32Å; L561-F568 HydrophobicContact CG-CE2 4.25Å; L561-Y681 HydrophobicContact CB-CD1 4.21Å; L561-Y681 HydrophobicContact CB-CE1 4.07Å; L561-Y681 HydrophobicContact CD1-CD1 3.79Å; L561-Y681 HydrophobicContact CD1-CE1 4.49Å; L561-Y681 HydrophobicContact CD1-CG 4.08Å
562Q72.5Confident74.5Confident106 Ų10644.4 Ų44.450%0.49522%0.219SC..Hα-helixtrans-67.8-31.1172.8-76.3-171.5-27.700113.5F558 K559F558-Q562 HydrophobicContact CE1-CG 4.25Å; F558-Q562 VanDerWaalsContact CE1-NE2 3.31Å; F558-Q562 VanDerWaalsContact CZ-NE2 3.35Å; F558-Q562 WeakPolarHBondContact O-CG 3.4Å; F558-Q562 PolarHBondContact O-N 3.32Å; K559-Q562 PolarHBondContact O-N 3.15Å
563E70.9Confident76.6Confident25 Ų2540.9 Ų40.912%0.11720%0.204CC..Hα-helixtrans-85.5-48178.3-174.9171.9-174.800112.1R493 T495 N498 K559 L560 L561 K659R493-E563 IonicContact CZ-OE1 3.67Å; R493-E563 IonicContact NH2-OE1 2.6Å; R493-E563 PolarHBondContact NH2-OE1 3.24Å; T495-E563 VanDerWaalsContact CB-CD 3.43Å; T495-E563 WeakPolarHBondContact CB-OE1 3.46Å; T495-E563 HydrophobicContact CG2-CG 4.4Å; T495-E563 WeakPolarHBondContact CG2-OE1 3.39Å; N498-E563 PolarHBondContact ND2-O 3.31Å; N498-E563 PolarHBondContact OD1-O 3.37Å; K559-E563 PolarHBondContact O-N 3.43Å; L560-E563 PolarHBondContact O-N 3.38Å; L561-E563 VanDerWaalsContact C-N 3.34Å; E563-K659 IonicContact OE1-NZ 2.73Å; E563-K659 PolarHBondContact OE1-NZ 3.34Å; E563-K659 IonicContact OE2-NZ 3.5Å; E563-K659 PolarHBondContact OE2-NZ 3.45Å
564H68.9Low78.4Confident16 Ų1646 Ų467%0.07423%0.226CC..Hα-helixtrans-93.8-9.3-174.4-74.5-59.2000115.6N498 L560 L655 V656N498-H564 PolarHBondContact ND2-CE1 3.26Å; N498-H564 PolarHBondContact OD1-CE1 3.21Å; N498-H564 PolarHBondContact OD1-ND1 2.86Å; N498-H564 PolarHBondContact OD1-NE2 2.89Å; L560-H564 HydrophobicContact CD2-CB 4.38Å; L560-H564 WeakPolarHBondContact O-CB 3.19Å; L560-H564 PolarHBondContact O-N 3.09Å; H564-L655 WeakPolarHBondContact NE2-CB 3.11Å; H564-V656 HydrophobicContact CB-CG2 4.2Å
565L74.5Confident80.1Confident106 Ų10640.6 Ų40.656%0.55520%0.197SC*.  trans55.9-171.9-174.7-52.2179.5000112.1L561 H611 L613L561-L565 WeakPolarHBondContact O-CA 3.35Å; L561-L565 PolarHBondContact O-N 2.87Å; L565-H611 PolarHBondContact O-NE2 3.35Å; L565-L613 HydrophobicContact CB-CD1 4.04Å
566G82.9Confident81.2Confident16 Ų1638.8 Ų38.817%0.16519%0.188CC..SBendtrans71.8-158.317900000114.6L561 I612 W682L561-G566 VanDerWaalsContact CD2-O 3.29Å; L561-G566 WeakPolarHBondContact CD2-O 3.34Å; G566-I612 CarbonylContact C-O 3.59Å; G566-I612 WeakPolarHBondContact CA-O 3.15Å; G566-W682 VanDerWaalsContact O-CZ2 3.26Å; G566-W682 WeakPolarHBondContact O-CZ2 3.22Å; G566-W682 PolarHBondContact O-NE1 3.28Å
567E87.3Confident81.7Confident39 Ų3938.6 Ų38.618%0.18219%0.185CC..EExtended strand (participates in β ladder)trans-136.5150.9-175.162.6-176.5164.600111.5I569 H611 I612 R614E567-I569 HydrophobicContact CG-CG2 4.12Å; E567-H611 CarbonylContact O-C 3.49Å; E567-H611 WeakPolarHBondContact O-CA 3.31Å; E567-I612 HydrophobicContact CG-CB 3.88Å; E567-I612 PolarHBondContact N-O 2.87Å; E567-I612 PolarHBondContact O-N 2.76Å; E567-R614 IonicContact OE1-CZ 3.63Å; E567-R614 IonicContact OE1-NE 3.61Å; E567-R614 PolarHBondContact OE1-NE 3.25Å; E567-R614 IonicContact OE1-NH2 3.71Å; E567-R614 PolarHBondContact OE1-NH2 3.13Å; E567-R614 IonicContact OE2-NH2 2.77Å
568F90.8Very high82Confident3 Ų342.7 Ų42.71%0.01320%0.204CC..EExtended strand (participates in β ladder)trans-98.5125.4161.5-66.4-85.4000110V557 L560 L561 L609 V610 H611 I623 V656 V660 I674 S678V557-F568 HydrophobicContact CG1-CD2 4.13Å; V557-F568 HydrophobicContact CG1-CE2 4.37Å; L560-F568 HydrophobicContact CD2-CE2 3.84Å; L560-F568 HydrophobicContact CD2-CZ 3.59Å; L561-F568 HydrophobicContact CD2-CD2 3.83Å; L561-F568 HydrophobicContact CD2-CE2 3.91Å; L561-F568 HydrophobicContact CG-CD2 4.32Å; L561-F568 HydrophobicContact CG-CE2 4.25Å; F568-L609 HydrophobicContact CB-CD1 4.19Å; F568-L609 HydrophobicContact CD1-CD2 4.4Å; F568-L609 HydrophobicContact CD1-CG 4.37Å; F568-V610 WeakPolarHBondContact CA-O 3.46Å; F568-H611 HydrophobicContact CD1-CB 4.05Å; F568-H611 HydrophobicContact CE1-CB 3.74Å; F568-H611 HydrophobicContact CZ-CB 4.35Å; F568-H611 AromaticContact CZ-CD2 3.81Å; F568-I623 HydrophobicContact CD1-CG1 4.36Å; F568-I623 HydrophobicContact CE1-CD1 4.28Å; F568-I623 HydrophobicContact CE1-CG1 4.05Å; F568-V656 HydrophobicContact CE1-CG1 3.83Å; F568-V656 HydrophobicContact CZ-CG1 3.6Å; F568-V660 HydrophobicContact CE1-CG2 4.11Å; F568-V660 HydrophobicContact CZ-CG2 4.21Å; F568-I674 HydrophobicContact CB-CG2 4.2Å; F568-I674 HydrophobicContact CD1-CG2 4.25Å; F568-I674 HydrophobicContact CD2-CG2 4.15Å; F568-I674 HydrophobicContact CG-CG2 3.93Å; F568-S678 PolarHBondContact N-OG 3.49Å; F568-S678 PolarHBondContact O-OG 3.06Å; F568-S678 VanDerWaalsContact O-OG 3.05Å
569I89.4Confident82.6Confident36 Ų3640.9 Ų40.919%0.18520%0.196CC..EExtended strand (participates in β ladder)trans-135.7165.4171.971.4166.1000111E567 L571 V610 I612E567-I569 HydrophobicContact CG-CG2 4.12Å; I569-L571 HydrophobicContact CD1-CD2 3.88Å; I569-L571 HydrophobicContact CD1-CG 4.35Å; I569-L571 HydrophobicContact CG1-CD2 4.47Å; I569-L571 HydrophobicContact CG1-CG 4.44Å; I569-V610 PolarHBondContact N-O 3.34Å; I569-V610 PolarHBondContact O-N 3.27Å; I569-I612 HydrophobicContact CD1-CD1 3.45Å; I569-I612 VanDerWaalsContact CD1-CD1 3.45Å; I569-I612 HydrophobicContact CG1-CD1 3.61Å; I569-I612 HydrophobicContact CG1-CG1 4.36Å
570F91.4Very high83Confident31 Ų3136.6 Ų36.614%0.13618%0.178CC..EExtended strand (participates in β ladder)trans-88.8137.4166.8-72.5-71.4000111.8F603 K607 C608 L609 H671 D672 A675F570-F603 HydrophobicContact CB-CE1 4.06Å; F570-F603 HydrophobicContact CB-CZ 3.76Å; F570-K607 HydrophobicContact CB-CB 4.22Å; F570-K607 HydrophobicContact CD1-CB 3.74Å; F570-K607 HydrophobicContact CD1-CD 3.95Å; F570-K607 HydrophobicContact CD1-CG 3.78Å; F570-K607 HydrophobicContact CD2-CD 4.45Å; F570-K607 HydrophobicContact CE1-CB 4.37Å; F570-K607 HydrophobicContact CE1-CD 3.92Å; F570-K607 HydrophobicContact CE1-CG 3.9Å; F570-K607 HydrophobicContact CE2-CD 4.42Å; F570-K607 HydrophobicContact CG-CB 4.17Å; F570-K607 HydrophobicContact CG-CD 4.21Å; F570-K607 HydrophobicContact CG-CG 4.4Å; F570-K607 HydrophobicContact CZ-CD 4.15Å; F570-C608 WeakPolarHBondContact CA-O 3.33Å; F570-C608 WeakPolarHBondContact CD1-O 3.37Å; F570-L609 HydrophobicContact CD1-CB 4.47Å; F570-L609 HydrophobicContact CD1-CD1 4.5Å; F570-L609 HydrophobicContact CE1-CB 4.19Å; F570-L609 HydrophobicContact CE1-CD1 4.29Å; F570-L609 HydrophobicContact CZ-CD1 4.48Å; F570-H671 HydrophobicContact CE1-CB 3.98Å; F570-H671 HydrophobicContact CZ-CB 3.85Å; F570-D672 HydrophobicContact CE2-CB 4.49Å; F570-D672 WeakPolarHBondContact CE2-OD1 3.41Å; F570-D672 HydrophobicContact CZ-CB 4.47Å; F570-D672 WeakPolarHBondContact CZ-OD1 3.25Å; F570-A675 HydrophobicContact CD2-CB 3.91Å; F570-A675 HydrophobicContact CE2-CB 3.62Å; F570-A675 HydrophobicContact CZ-CB 4.38Å
571L88.8Confident83.5Confident1 Ų138.9 Ų38.91%0.00519%0.187CC..EExtended strand (participates in β ladder)trans-122.6159.9167.8-66.2-179.2000109.8I569 E573 F576 I583 K585 K607 C608 V610 Y620I569-L571 HydrophobicContact CD1-CD2 3.88Å; I569-L571 HydrophobicContact CD1-CG 4.35Å; I569-L571 HydrophobicContact CG1-CD2 4.47Å; I569-L571 HydrophobicContact CG1-CG 4.44Å; L571-E573 PolarHBondContact O-N 3.01Å; L571-F576 HydrophobicContact CD1-CD2 3.89Å; L571-F576 HydrophobicContact CD1-CE2 4.16Å; L571-I583 HydrophobicContact CD1-CD1 4.18Å; L571-I583 HydrophobicContact CD1-CG2 4.02Å; L571-I583 HydrophobicContact CD2-CG2 4.14Å; L571-K585 HydrophobicContact CD2-CG 3.61Å; L571-K607 WeakPolarHBondContact O-CA 3.42Å; L571-C608 PolarHBondContact N-O 2.81Å; L571-C608 PolarHBondContact O-N 2.67Å; L571-C608 PolarHBondContact O-SG 3.08Å; L571-V610 HydrophobicContact CB-CG2 4.19Å; L571-V610 HydrophobicContact CD1-CB 4.15Å; L571-V610 HydrophobicContact CD1-CG1 4.11Å; L571-V610 HydrophobicContact CD1-CG2 4.05Å; L571-V610 HydrophobicContact CG-CB 4.39Å; L571-V610 HydrophobicContact CG-CG2 4.25Å; L571-Y620 HydrophobicContact CD1-CD1 3.92Å; L571-Y620 HydrophobicContact CD1-CE1 4.17Å
572C88.4Confident83.8Confident0 Ų039.4 Ų39.40%019%0.19CC..EExtended strand (participates in β ladder)trans-71.4116.5174-175.60000110.4C575 F576 S584 C594 F603 N606C572-C575 HydrophobicContact CB-CB 4.21Å; C572-C575 WeakPolarHBondContact O-CB 3.35Å; C572-C575 PolarHBondContact O-N 3.43Å; C572-C575 VanDerWaalsContact O-N 3.09Å; C572-F576 PolarHBondContact O-N 2.92Å; C572-S584 PolarHBondContact N-O 2.7Å; C572-C594 HydrophobicContact CB-CB 3.58Å; C572-F603 HydrophobicContact CB-CD2 4.39Å; C572-N606 CarbonylContact C-O 3.54Å; C572-N606 WeakPolarHBondContact CA-O 3.26Å
573E87.5Confident84.4Confident66 Ų6635.3 Ų35.331%0.30817%0.171SC..Hα-helixtrans-58.7-49.1-177-170162.2-139.300111.9L571 C575 F576 D577 N606 C608 K622L571-E573 PolarHBondContact O-N 3.01Å; E573-C575 PolarHBondContact O-N 2.97Å; E573-F576 PolarHBondContact O-N 3.23Å; E573-D577 WeakPolarHBondContact CG-OD2 3.27Å; E573-D577 PolarHBondContact O-N 3.11Å; E573-N606 WeakPolarHBondContact CB-O 3.48Å; E573-N606 PolarHBondContact N-O 2.9Å; E573-C608 HydrophobicContact CB-CB 3.87Å; E573-C608 HydrophobicContact CG-CB 3.97Å; E573-K622 WeakPolarHBondContact OE1-CE 3.33Å; E573-K622 IonicContact OE1-NZ 3.35Å; E573-K622 PolarHBondContact OE1-NZ 2.66Å
574K85.8Confident85Confident117 Ų11734.3 Ų34.351%0.50917%0.166SC..Hα-helixtrans-56.7-21.8175.2-76.4173.5171.3153.90114.5H601 N606K574-H601 HydrophobicContact CD-CB 4.4Å; K574-N606 HydrophobicContact CD-CB 4.39Å; K574-N606 WeakPolarHBondContact CD-OD1 3.24Å; K574-N606 WeakPolarHBondContact CE-OD1 3.33Å; K574-N606 PolarHBondContact NZ-OD1 2.67Å
575C86.3Confident85.7Confident0 Ų038.1 Ų38.10%018%0.183CC..Hα-helixtrans-92.3-36.3172.6-600000112C572 E573 H578 M582 S584 H601C572-C575 HydrophobicContact CB-CB 4.21Å; C572-C575 WeakPolarHBondContact O-CB 3.35Å; C572-C575 PolarHBondContact O-N 3.43Å; C572-C575 VanDerWaalsContact O-N 3.09Å; E573-C575 PolarHBondContact O-N 2.97Å; C575-H578 VanDerWaalsContact O-CB 3.31Å; C575-H578 WeakPolarHBondContact O-CB 3.47Å; C575-H578 PolarHBondContact O-N 3.06Å; C575-M582 CarbonylContact C-O 3.58Å; C575-M582 HydrophobicContact CB-CB 4.34Å; C575-M582 PolarHBondContact O-N 3.35Å; C575-S584 PolarHBondContact SG-OG 3.11Å; C575-H601 PolarHBondContact SG-ND1 3.18Å; C575-H601 VanDerWaalsContact SG-ND1 3.4Å
576F86.9Confident86Confident1 Ų138.4 Ų38.40%0.00418%0.177CC..Hα-helixtrans-68.8-36.1-179.7-166.5-91.4000112.6L571 C572 E573 R581 I583 V610 Y620 K622L571-F576 HydrophobicContact CD1-CD2 3.89Å; L571-F576 HydrophobicContact CD1-CE2 4.16Å; C572-F576 PolarHBondContact O-N 2.92Å; E573-F576 PolarHBondContact O-N 3.23Å; F576-R581 WeakPolarHBondContact O-CG 3.28Å; F576-R581 PolarHBondContact O-NE 3.22Å; F576-I583 HydrophobicContact CD2-CD1 3.98Å; F576-I583 HydrophobicContact CE2-CD1 4.02Å; F576-V610 HydrophobicContact CD2-CG2 4.27Å; F576-V610 HydrophobicContact CE2-CG1 4.06Å; F576-V610 HydrophobicContact CE2-CG2 4.11Å; F576-V610 HydrophobicContact CZ-CG1 4.35Å; F576-V610 HydrophobicContact CZ-CG2 4.39Å; F576-Y620 HydrophobicContact CE2-CG 4.48Å; F576-K622 HydrophobicContact CD1-CB 4.42Å; F576-K622 HydrophobicContact CD1-CD 4.31Å; F576-K622 HydrophobicContact CE1-CB 3.77Å; F576-K622 HydrophobicContact CE1-CD 4.42Å; F576-K622 HydrophobicContact CE1-CG 4.41Å; F576-K622 HydrophobicContact CZ-CB 4.43Å
577D85.6Confident85.7Confident47 Ų4739.3 Ų39.325%0.25118%0.177SC..SBendtrans-97.91.4179.3-56-46.1000112.9E573 K622E573-D577 WeakPolarHBondContact CG-OD2 3.27Å; E573-D577 PolarHBondContact O-N 3.11Å; D577-K622 IonicContact OD1-NZ 2.61Å; D577-K622 IonicContact OD2-NZ 3.6Å; D577-K622 PolarHBondContact OD2-NZ 2.82Å
578H85.7Confident84.8Confident86 Ų8645.9 Ų45.940%0.39821%0.206SC..SBendtrans-57.7149.8164.5-169.4-87.7000110.3C575 P580 R581 M582C575-H578 VanDerWaalsContact O-CB 3.31Å; C575-H578 WeakPolarHBondContact O-CB 3.47Å; C575-H578 PolarHBondContact O-N 3.06Å; H578-P580 CarbonylContact C-O 3.44Å; H578-P580 PolarHBondContact ND1-O 3.34Å; H578-P580 CarbonylContact O-C 3.57Å; H578-R581 WeakPolarHBondContact O-CA 3.12Å; H578-R581 PolarHBondContact O-N 3.25Å; H578-R581 VanDerWaalsContact O-N 3.09Å; H578-M582 HydrophobicContact CB-CE 4.13Å
579K85.9Confident83.5Confident53 Ų5352.4 Ų52.423%0.2324%0.241CC..SBendtrans-125.9104.4-178.6-54.5-168.5179.2-143.70107.4E646 K949 D950K579-E646 IonicContact NZ-OE1 2.67Å; K579-E646 PolarHBondContact NZ-OE1 3.05Å; K579-E646 IonicContact NZ-OE2 3.83Å; K579-E646 PolarHBondContact NZ-OE2 3.47Å; K579-K949 WeakPolarHBondContact CD-O 3.36Å; K579-D950 IonicContact NZ-OD1 2.71Å; K579-D950 PolarHBondContact NZ-OD1 3.21Å
580P81.7Confident82.4Confident14 Ų1454.9 Ų54.99%0.09125%0.254CS..SBendcis-73.2152.85.132.3-37.8000114.3H578 F857 W872 H951H578-P580 CarbonylContact C-O 3.44Å; H578-P580 PolarHBondContact ND1-O 3.34Å; H578-P580 CarbonylContact O-C 3.57Å; P580-F857 HydrophobicContact CB-CD1 4.37Å; P580-F857 HydrophobicContact CG-CD1 3.75Å; P580-F857 HydrophobicContact CG-CE1 3.86Å; P580-W872 HydrophobicContact CB-CD2 4.37Å; P580-W872 VanDerWaalsContact CB-CE2 3.49Å; P580-W872 HydrophobicContact CB-CH2 4.14Å; P580-W872 HydrophobicContact CB-CZ2 3.37Å; P580-W872 HydrophobicContact CG-CZ2 4.39Å; P580-H951 HydrophobicContact CB-CB 4.22Å
581R85.3Confident81.2Confident51 Ų5157.2 Ų57.219%0.19228%0.275CS..  trans-64.4136.2-176169.5170.3-69.9162.53.3112.7F576 H578 I583 F857 H858F576-R581 WeakPolarHBondContact O-CG 3.28Å; F576-R581 PolarHBondContact O-NE 3.22Å; H578-R581 WeakPolarHBondContact O-CA 3.12Å; H578-R581 PolarHBondContact O-N 3.25Å; H578-R581 VanDerWaalsContact O-N 3.09Å; R581-I583 HydrophobicContact CG-CD1 4.28Å; R581-F857 WeakPolarHBondContact O-CA 3.48Å; R581-H858 HydrophobicContact CG-CB 4.42Å; R581-H858 PolarHBondContact O-N 3.34Å
582M83.6Confident80.6Confident14 Ų1462 Ų627%0.06930%0.304CS..BIsolated β-bridgetrans-124136.3176.8-66-173.1-72.700112.1C575 H578 S584 H596 V855 F857C575-M582 CarbonylContact C-O 3.58Å; C575-M582 HydrophobicContact CB-CB 4.34Å; C575-M582 PolarHBondContact O-N 3.35Å; H578-M582 HydrophobicContact CB-CE 4.13Å; M582-S584 PolarHBondContact O-N 2.66Å; M582-H596 VanDerWaalsContact CE-NE2 3.29Å; M582-H596 WeakPolarHBondContact CE-NE2 3.45Å; M582-V855 HydrophobicContact SD-CG1 3.9Å; M582-F857 HydrophobicContact CG-CD1 3.96Å; M582-F857 HydrophobicContact CG-CE1 4.24Å; M582-F857 HydrophobicContact SD-CD1 4.44Å; M582-F857 HydrophobicContact SD-CE1 4.15Å
583I84.2Confident80.3Confident19 Ų1962.5 Ų62.510%0.09731%0.308CS..  trans-96.288.3-177.2-56.7-59.5000110.7L571 F576 R581 Y620 D856 H858L571-I583 HydrophobicContact CD1-CD1 4.18Å; L571-I583 HydrophobicContact CD1-CG2 4.02Å; L571-I583 HydrophobicContact CD2-CG2 4.14Å; F576-I583 HydrophobicContact CD2-CD1 3.98Å; F576-I583 HydrophobicContact CE2-CD1 4.02Å; R581-I583 HydrophobicContact CG-CD1 4.28Å; I583-Y620 HydrophobicContact CD1-CD1 3.89Å; I583-Y620 HydrophobicContact CD1-CD2 4.27Å; I583-Y620 HydrophobicContact CD1-CE1 3.91Å; I583-Y620 HydrophobicContact CD1-CE2 4.3Å; I583-Y620 HydrophobicContact CD1-CG 4.08Å; I583-Y620 HydrophobicContact CG1-CE1 4.14Å; I583-Y620 HydrophobicContact CG1-CE2 4.27Å; I583-Y620 HydrophobicContact CG2-CE1 3.72Å; I583-D856 PolarHBondContact N-O 3.27Å; I583-D856 VanDerWaalsContact N-O 3.15Å; I583-H858 HydrophobicContact CD1-CB 4.07Å; I583-H858 HydrophobicContact CG1-CB 3.59Å
584S83.4Confident80Confident4 Ų459.3 Ų59.33%0.02829%0.293CS..  trans-102.4126.1176.1-63.60000112.2C572 C575 M582C572-S584 PolarHBondContact N-O 2.7Å; C575-S584 PolarHBondContact SG-OG 3.11Å; M582-S584 PolarHBondContact O-N 2.66Å
585K84.4Confident79.5Confident97 Ų9755.8 Ų55.842%0.42228%0.283SS..  trans-92.2-178.6175.5-68.5-178.9177.7-175.60110.1L571 C594 S595L571-K585 HydrophobicContact CD2-CG 3.61Å; K585-C594 CarbonylContact O-C 3.4Å; K585-C594 WeakPolarHBondContact O-CA 3.47Å; K585-S595 PolarHBondContact N-OG 3.31Å; K585-S595 PolarHBondContact O-N 3.18Å; K585-S595 PolarHBondContact O-OG 2.77Å
586R80.6Confident78.8Confident112 Ų11256.7 Ų56.742%0.42329%0.287SS..BIsolated β-bridgetrans-66.2136.8164-168.6-177.8-74.8177.4-0.2108.7S591 F603 E604R586-S591 WeakPolarHBondContact CD-O 3.48Å; R586-S591 WeakPolarHBondContact CG-O 3.44Å; R586-F603 HydrophobicContact CB-CD1 4.03Å; R586-F603 HydrophobicContact CB-CD2 3.93Å; R586-F603 HydrophobicContact CB-CE1 3.94Å; R586-F603 HydrophobicContact CB-CE2 3.86Å; R586-F603 HydrophobicContact CB-CG 4.01Å; R586-F603 HydrophobicContact CB-CZ 3.85Å; R586-F603 HydrophobicContact CG-CB 4.45Å; R586-F603 HydrophobicContact CG-CD1 4.03Å; R586-F603 HydrophobicContact CG-CD2 4.37Å; R586-F603 HydrophobicContact CG-CE1 4.39Å; R586-F603 HydrophobicContact CG-CG 4.01Å; R586-F603 VanDerWaalsContact NE-CD1 3.3Å; R586-E604 IonicContact CZ-OE2 2.79Å; R586-E604 IonicContact NH2-OE1 3.95Å; R586-E604 IonicContact NH2-OE2 3.83Å; R586-E604 PolarHBondContact NH2-OE2 2.82Å
587N77.4Confident77.7Confident34 Ų3459 Ų5918%0.18230%0.302CS..  trans-67.6143175.4-173.5-33.2000109.8D589 N590 A593N587-D589 PolarHBondContact OD1-N 2.94Å; N587-D589 PolarHBondContact OD1-OD2 3.31Å; N587-N590 PolarHBondContact OD1-N 2.78Å; N587-A593 VanDerWaalsContact CB-O 3.3Å; N587-A593 WeakPolarHBondContact CB-O 3.48Å; N587-A593 PolarHBondContact N-O 2.79Å
588K67.4Low76.6Confident178 Ų17862.8 Ų62.877%0.77433%0.327SS*.SBendtrans-73.6-37.3179.2-71.2-177.6178.1177.90112.1
589D65.2Low75.8Confident140 Ų14062 Ų6275%0.74933%0.328SS*.SBendtrans-96-22-168-43.2-65.5000111.9N587N587-D589 PolarHBondContact OD1-N 2.94Å; N587-D589 PolarHBondContact OD1-OD2 3.31Å
590N65.9Low75.3Confident87 Ų8766.1 Ų66.147%0.46535%0.346SS..  trans-131.791.3173.3-77.6-92.3000109.7N587 T592 A593N587-N590 PolarHBondContact OD1-N 2.78Å; N590-T592 PolarHBondContact O-N 3.04Å; N590-T592 VanDerWaalsContact O-N 3.08Å; N590-A593 HydrophobicContact CB-CB 4.49Å; N590-A593 PolarHBondContact O-N 2.72Å
591S65.6Low75.2Confident81 Ų8167.3 Ų67.357%0.56635%0.35SS*.THydrogen-bonded Turntrans-61.2-20.1-170.757.20000115.4R586R586-S591 WeakPolarHBondContact CD-O 3.48Å; R586-S591 WeakPolarHBondContact CG-O 3.44Å
592T76.6Confident75Confident102 Ų10271.4 Ų71.463%0.62637%0.371SS*.THydrogen-bonded Turntrans-80-16.4176.951.60000113.8N590 E602 F603N590-T592 PolarHBondContact O-N 3.04Å; N590-T592 VanDerWaalsContact O-N 3.08Å; T592-E602 CarbonylContact O-C 3.57Å; T592-E602 WeakPolarHBondContact O-CA 3.47Å; T592-F603 PolarHBondContact O-N 3.33Å
593A81.6Confident75Confident9 Ų970.9 Ų70.97%0.07437%0.369CS..BIsolated β-bridgetrans-112.9152.7-171.900000113.2N587 N590 K600 H601N587-A593 VanDerWaalsContact CB-O 3.3Å; N587-A593 WeakPolarHBondContact CB-O 3.48Å; N587-A593 PolarHBondContact N-O 2.79Å; N590-A593 HydrophobicContact CB-CB 4.49Å; N590-A593 PolarHBondContact O-N 2.72Å; A593-K600 HydrophobicContact CB-CB 4.32Å; A593-H601 WeakPolarHBondContact CA-O 3.21Å
594C80.6Confident74.9Confident0 Ų074 Ų740%038%0.383CS..BIsolated β-bridgetrans-72.5158.9167.367.40000112.3C572 K585 H596 H601 F603C572-C594 HydrophobicContact CB-CB 3.58Å; K585-C594 CarbonylContact O-C 3.4Å; K585-C594 WeakPolarHBondContact O-CA 3.47Å; C594-H596 PolarHBondContact O-N 2.85Å; C594-H596 VanDerWaalsContact SG-CB 3.57Å; C594-H601 PolarHBondContact N-O 3.41Å; C594-H601 PolarHBondContact SG-N 2.85Å; C594-F603 HydrophobicContact CB-CD2 4.14Å
595S76.1Confident74.8Confident43 Ų4380.1 Ų80.130%0.30142%0.415SS..SBendtrans-77.224.2177.774.20000114.2K585K585-S595 PolarHBondContact N-OG 3.31Å; K585-S595 PolarHBondContact O-N 3.18Å; K585-S595 PolarHBondContact O-OG 2.77Å
596H71.2Confident74.8Confident19 Ų1976.5 Ų76.59%0.08840%0.4CS..  trans-87129.3179.4-175.4-117.5000109.6M582 C594 T599M582-H596 VanDerWaalsContact CE-NE2 3.29Å; M582-H596 WeakPolarHBondContact CE-NE2 3.45Å; C594-H596 PolarHBondContact O-N 2.85Å; C594-H596 VanDerWaalsContact SG-CB 3.57Å; H596-T599 PolarHBondContact CE1-OG1 3.3Å; H596-T599 PolarHBondContact ND1-N 3.28Å; H596-T599 PolarHBondContact ND1-O 2.91Å; H596-T599 PolarHBondContact ND1-OG1 2.97Å
597P63.5Low75.1Confident50 Ų5073.3 Ų73.333%0.32539%0.39SS..SBendtrans-73.2-37-167.923.4-33.1000114.2T854 V855P597-T854 HydrophobicContact CB-CG2 4.23Å; P597-T854 WeakPolarHBondContact CD-O 3.47Å; P597-V855 HydrophobicContact CG-CG2 3.61Å
598V63.4Low75.8Confident125 Ų12572 Ų7276%0.75838%0.383SS*.SBendtrans-90.9-61.1-170.7-175.40000111.1
599T68.9Low77Confident69 Ų6963.5 Ų63.542%0.42335%0.346SS..SBendtrans-102.6108175.756.30000110.2H596 H601H596-T599 PolarHBondContact CE1-OG1 3.3Å; H596-T599 PolarHBondContact ND1-N 3.28Å; H596-T599 PolarHBondContact ND1-O 2.91Å; H596-T599 PolarHBondContact ND1-OG1 2.97Å; T599-H601 PolarHBondContact O-N 3.03Å; T599-H601 VanDerWaalsContact O-N 3.17Å; T599-H601 PolarHBondContact OG1-CE1 2.86Å; T599-H601 VanDerWaalsContact OG1-CE1 3.3Å; T599-H601 PolarHBondContact OG1-NE2 3.19Å
600K74.8Confident78.2Confident140 Ų14056.9 Ų56.961%0.60931%0.311SS*.  trans-78.797.3173.5-69.4179.4-177.3176.80109.2A593A593-K600 HydrophobicContact CB-CB 4.32Å
601H79.5Confident79.3Confident40 Ų4053 Ų5319%0.18529%0.29CS..  trans-76.1141.8171.2-47128.1000110.2K574 C575 A593 C594 T599 F603K574-H601 HydrophobicContact CD-CB 4.4Å; C575-H601 PolarHBondContact SG-ND1 3.18Å; C575-H601 VanDerWaalsContact SG-ND1 3.4Å; A593-H601 WeakPolarHBondContact CA-O 3.21Å; C594-H601 PolarHBondContact N-O 3.41Å; C594-H601 PolarHBondContact SG-N 2.85Å; T599-H601 PolarHBondContact O-N 3.03Å; T599-H601 VanDerWaalsContact O-N 3.17Å; T599-H601 PolarHBondContact OG1-CE1 2.86Å; T599-H601 VanDerWaalsContact OG1-CE1 3.3Å; T599-H601 PolarHBondContact OG1-NE2 3.19Å; H601-F603 PolarHBondContact O-N 3.43Å
602E82.3Confident80.3Confident136 Ų13649.3 Ų49.364%0.63626%0.264SS*.BIsolated β-bridgetrans-63119.2170.2-70.9164.4135.500108.8T592 N606T592-E602 CarbonylContact O-C 3.57Å; T592-E602 WeakPolarHBondContact O-CA 3.47Å; E602-N606 WeakPolarHBondContact O-CB 3.23Å; E602-N606 PolarHBondContact O-ND2 3.45Å
603F83.5Confident80.6Confident4 Ų445.9 Ų45.92%0.01824%0.242CC..SBendtrans-72.3-38.5-166.6-175.7-89.9000112.2F570 C572 R586 T592 C594 H601 N606 K607F570-F603 HydrophobicContact CB-CE1 4.06Å; F570-F603 HydrophobicContact CB-CZ 3.76Å; C572-F603 HydrophobicContact CB-CD2 4.39Å; R586-F603 HydrophobicContact CB-CD1 4.03Å; R586-F603 HydrophobicContact CB-CD2 3.93Å; R586-F603 HydrophobicContact CB-CE1 3.94Å; R586-F603 HydrophobicContact CB-CE2 3.86Å; R586-F603 HydrophobicContact CB-CG 4.01Å; R586-F603 HydrophobicContact CB-CZ 3.85Å; R586-F603 HydrophobicContact CG-CB 4.45Å; R586-F603 HydrophobicContact CG-CD1 4.03Å; R586-F603 HydrophobicContact CG-CD2 4.37Å; R586-F603 HydrophobicContact CG-CE1 4.39Å; R586-F603 HydrophobicContact CG-CG 4.01Å; R586-F603 VanDerWaalsContact NE-CD1 3.3Å; T592-F603 PolarHBondContact O-N 3.33Å; C594-F603 HydrophobicContact CB-CD2 4.14Å; H601-F603 PolarHBondContact O-N 3.43Å; F603-N606 CarbonylContact O-C 3.58Å; F603-N606 PolarHBondContact O-N 3.18Å; F603-K607 HydrophobicContact CD1-CB 4.49Å; F603-K607 HydrophobicContact CE1-CB 4.12Å; F603-K607 HydrophobicContact CZ-CB 4.46Å; F603-K607 WeakPolarHBondContact O-CB 3.48Å; F603-K607 PolarHBondContact O-N 3.24Å; F603-K607 VanDerWaalsContact O-N 3.17Å
604E81.6Confident80.2Confident85 Ų8552.3 Ų52.340%0.39726%0.264SS..G310 helixtrans-73-39.3-168.1-152.460.8-163.200113.2R586 N606 K607R586-E604 IonicContact CZ-OE2 2.79Å; R586-E604 IonicContact NH2-OE1 3.95Å; R586-E604 IonicContact NH2-OE2 3.83Å; R586-E604 PolarHBondContact NH2-OE2 2.82Å; E604-N606 VanDerWaalsContact C-N 3.26Å; E604-N606 PolarHBondContact O-N 3.09Å; E604-K607 WeakPolarHBondContact O-CG 3.49Å; E604-K607 IonicContact OE1-NZ 2.75Å; E604-K607 PolarHBondContact OE1-NZ 2.99Å
605D80.3Confident79.6Confident132 Ų13257.7 Ų57.771%0.70629%0.289SS*.G310 helixtrans-81.5-5.9177.5-54.2-38.9000112.8
606N84Confident78.8Confident20 Ų2062.6 Ų62.611%0.10732%0.317CS..G310 helixtrans-134.238.5-176.4-53.7-94000111.1C572 E573 K574 E602 F603 E604C572-N606 CarbonylContact C-O 3.54Å; C572-N606 WeakPolarHBondContact CA-O 3.26Å; E573-N606 WeakPolarHBondContact CB-O 3.48Å; E573-N606 PolarHBondContact N-O 2.9Å; K574-N606 HydrophobicContact CD-CB 4.39Å; K574-N606 WeakPolarHBondContact CD-OD1 3.24Å; K574-N606 WeakPolarHBondContact CE-OD1 3.33Å; K574-N606 PolarHBondContact NZ-OD1 2.67Å; E602-N606 WeakPolarHBondContact O-CB 3.23Å; E602-N606 PolarHBondContact O-ND2 3.45Å; F603-N606 CarbonylContact O-C 3.58Å; F603-N606 PolarHBondContact O-N 3.18Å; E604-N606 VanDerWaalsContact C-N 3.26Å; E604-N606 PolarHBondContact O-N 3.09Å
607K88.6Confident78.6Confident45 Ų4564 Ų6420%0.19633%0.328CS..EExtended strand (participates in β ladder)trans-96.8120.8177.366.7-172.3178.1172.50111.3F570 L571 F603 E604 D672F570-K607 HydrophobicContact CB-CB 4.22Å; F570-K607 HydrophobicContact CD1-CB 3.74Å; F570-K607 HydrophobicContact CD1-CD 3.95Å; F570-K607 HydrophobicContact CD1-CG 3.78Å; F570-K607 HydrophobicContact CD2-CD 4.45Å; F570-K607 HydrophobicContact CE1-CB 4.37Å; F570-K607 HydrophobicContact CE1-CD 3.92Å; F570-K607 HydrophobicContact CE1-CG 3.9Å; F570-K607 HydrophobicContact CE2-CD 4.42Å; F570-K607 HydrophobicContact CG-CB 4.17Å; F570-K607 HydrophobicContact CG-CD 4.21Å; F570-K607 HydrophobicContact CG-CG 4.4Å; F570-K607 HydrophobicContact CZ-CD 4.15Å; L571-K607 WeakPolarHBondContact O-CA 3.42Å; F603-K607 HydrophobicContact CD1-CB 4.49Å; F603-K607 HydrophobicContact CE1-CB 4.12Å; F603-K607 HydrophobicContact CZ-CB 4.46Å; F603-K607 WeakPolarHBondContact O-CB 3.48Å; F603-K607 PolarHBondContact O-N 3.24Å; F603-K607 VanDerWaalsContact O-N 3.17Å; E604-K607 WeakPolarHBondContact O-CG 3.49Å; E604-K607 IonicContact OE1-NZ 2.75Å; E604-K607 PolarHBondContact OE1-NZ 2.99Å; K607-D672 IonicContact NZ-OD1 2.74Å; K607-D672 PolarHBondContact NZ-OD1 3.3Å; K607-D672 IonicContact NZ-OD2 3.93Å; K607-D672 PolarHBondContact NZ-OD2 2.87Å
608C90.4Very high79.2Confident6 Ų663.5 Ų63.54%0.04132%0.323CS..EExtended strand (participates in β ladder)trans-98.8140.4167.961.90000110F570 L571 E573 K622F570-C608 WeakPolarHBondContact CA-O 3.33Å; F570-C608 WeakPolarHBondContact CD1-O 3.37Å; L571-C608 PolarHBondContact N-O 2.81Å; L571-C608 PolarHBondContact O-N 2.67Å; L571-C608 PolarHBondContact O-SG 3.08Å; E573-C608 HydrophobicContact CB-CB 3.87Å; E573-C608 HydrophobicContact CG-CB 3.97Å; C608-K622 HydrophobicContact CB-CG 4.44Å
609L92.8Very high80Confident1 Ų162.3 Ų62.31%0.00531%0.308CS..EExtended strand (participates in β ladder)trans-78.7129.4171.7-175.467.4000108.4F568 F570 I623 H671 I674 A675F568-L609 HydrophobicContact CB-CD1 4.19Å; F568-L609 HydrophobicContact CD1-CD2 4.4Å; F568-L609 HydrophobicContact CD1-CG 4.37Å; F570-L609 HydrophobicContact CD1-CB 4.47Å; F570-L609 HydrophobicContact CD1-CD1 4.5Å; F570-L609 HydrophobicContact CE1-CB 4.19Å; F570-L609 HydrophobicContact CE1-CD1 4.29Å; F570-L609 HydrophobicContact CZ-CD1 4.48Å; L609-I623 HydrophobicContact CB-CB 4.22Å; L609-I623 HydrophobicContact CD2-CB 4.14Å; L609-I623 HydrophobicContact CD2-CG2 4.02Å; L609-I623 HydrophobicContact CG-CB 4.17Å; L609-I623 PolarHBondContact O-N 2.71Å; L609-H671 HydrophobicContact CB-CB 4.17Å; L609-H671 HydrophobicContact CD2-CB 3.93Å; L609-H671 HydrophobicContact CG-CB 4.45Å; L609-I674 HydrophobicContact CD2-CB 4.31Å; L609-I674 HydrophobicContact CD2-CD1 4.25Å; L609-I674 HydrophobicContact CD2-CG2 4.11Å; L609-A675 HydrophobicContact CD1-CB 4.13Å
610V90.6Very high80.7Confident0 Ų060.5 Ų60.50%029%0.294CS..EExtended strand (participates in β ladder)trans-132.2128.7-176.7-179.50000109.9F568 I569 L571 F576 I612 Y620 S621F568-V610 WeakPolarHBondContact CA-O 3.46Å; I569-V610 PolarHBondContact N-O 3.34Å; I569-V610 PolarHBondContact O-N 3.27Å; L571-V610 HydrophobicContact CB-CG2 4.19Å; L571-V610 HydrophobicContact CD1-CB 4.15Å; L571-V610 HydrophobicContact CD1-CG1 4.11Å; L571-V610 HydrophobicContact CD1-CG2 4.05Å; L571-V610 HydrophobicContact CG-CB 4.39Å; L571-V610 HydrophobicContact CG-CG2 4.25Å; F576-V610 HydrophobicContact CD2-CG2 4.27Å; F576-V610 HydrophobicContact CE2-CG1 4.06Å; F576-V610 HydrophobicContact CE2-CG2 4.11Å; F576-V610 HydrophobicContact CZ-CG1 4.35Å; F576-V610 HydrophobicContact CZ-CG2 4.39Å; V610-I612 HydrophobicContact CG1-CG1 4.16Å; V610-Y620 HydrophobicContact CG1-CD1 4.12Å; V610-S621 WeakPolarHBondContact CA-O 3.29Å
611H90.4Very high81.3Confident6 Ų655.7 Ų55.73%0.02828%0.277CS..EExtended strand (participates in β ladder)trans-83.4129.6166.4179.1-113.6000109.4L565 E567 F568 Y620 S621 I623 V656L565-H611 PolarHBondContact O-NE2 3.35Å; E567-H611 CarbonylContact O-C 3.49Å; E567-H611 WeakPolarHBondContact O-CA 3.31Å; F568-H611 HydrophobicContact CD1-CB 4.05Å; F568-H611 HydrophobicContact CE1-CB 3.74Å; F568-H611 HydrophobicContact CZ-CB 4.35Å; F568-H611 AromaticContact CZ-CD2 3.81Å; H611-Y620 WeakPolarHBondContact O-CA 3.43Å; H611-S621 PolarHBondContact N-O 3Å; H611-S621 PolarHBondContact O-N 2.88Å; H611-I623 HydrophobicContact CB-CD1 4.15Å; H611-I623 HydrophobicContact CB-CG1 4.32Å; H611-V656 HydrophobicContact CB-CG1 3.95Å
612I85.9Confident81.9Confident3 Ų355 Ų552%0.01527%0.274CS..EExtended strand (participates in β ladder)trans-117.3114.1178.9-55.8-177.8000109G566 E567 I569 V610 R614 V618 K619 Y620G566-I612 CarbonylContact C-O 3.59Å; G566-I612 WeakPolarHBondContact CA-O 3.15Å; E567-I612 HydrophobicContact CG-CB 3.88Å; E567-I612 PolarHBondContact N-O 2.87Å; E567-I612 PolarHBondContact O-N 2.76Å; I569-I612 HydrophobicContact CD1-CD1 3.45Å; I569-I612 VanDerWaalsContact CD1-CD1 3.45Å; I569-I612 HydrophobicContact CG1-CD1 3.61Å; I569-I612 HydrophobicContact CG1-CG1 4.36Å; V610-I612 HydrophobicContact CG1-CG1 4.16Å; I612-R614 HydrophobicContact CG2-CG 3.95Å; I612-V618 HydrophobicContact CG2-CG1 3.63Å; I612-K619 WeakPolarHBondContact CA-O 3.37Å; I612-Y620 HydrophobicContact CD1-CD1 3.75Å; I612-Y620 HydrophobicContact CD1-CE1 3.53Å; I612-Y620 HydrophobicContact CG1-CD1 3.67Å; I612-Y620 HydrophobicContact CG1-CE1 3.94Å; I612-Y620 HydrophobicContact CG2-CD1 4.48Å; I612-Y620 HydrophobicContact CG2-CE1 4.33Å
613L81.8Confident82.3Confident31 Ų3148.7 Ų48.716%0.16225%0.245CC..EExtended strand (participates in β ladder)trans-102123.6171.8-177.861000108.9L565 E615 V618 K619L565-L613 HydrophobicContact CB-CD1 4.04Å; L613-E615 HydrophobicContact CD1-CG 4.38Å; L613-E615 HydrophobicContact CD2-CG 4.35Å; L613-E615 HydrophobicContact CG-CG 4.02Å; L613-V618 WeakPolarHBondContact O-CA 3.41Å; L613-K619 HydrophobicContact CB-CB 4.45Å; L613-K619 HydrophobicContact CD2-CD 4.49Å; L613-K619 PolarHBondContact N-O 3.07Å; L613-K619 PolarHBondContact O-N 3.1Å
614R74Confident82.6Confident143 Ų14349.6 Ų49.654%0.5425%0.248SC..EExtended strand (participates in β ladder)trans-111.399.9-177.5-54.5-172.6-166.4174.37.2109.8E567 I612 V618E567-R614 IonicContact OE1-CZ 3.63Å; E567-R614 IonicContact OE1-NE 3.61Å; E567-R614 PolarHBondContact OE1-NE 3.25Å; E567-R614 IonicContact OE1-NH2 3.71Å; E567-R614 PolarHBondContact OE1-NH2 3.13Å; E567-R614 IonicContact OE2-NH2 2.77Å; I612-R614 HydrophobicContact CG2-CG 3.95Å; R614-V618 HydrophobicContact CG-CG1 4.34Å
615E68Low82.8Confident113 Ų11348.1 Ų48.153%0.52825%0.247SC..SBendtrans-112.9-142.1176.6-63.3175.2143.900109L613 T617 K619L613-E615 HydrophobicContact CD1-CG 4.38Å; L613-E615 HydrophobicContact CD2-CG 4.35Å; L613-E615 HydrophobicContact CG-CG 4.02Å; E615-T617 CarbonylContact C-O 3.35Å; E615-T617 PolarHBondContact N-O 3.17Å; E615-T617 PolarHBondContact O-N 2.8Å; E615-K619 IonicContact OE2-NZ 3.57Å; E615-K619 PolarHBondContact OE2-NZ 2.71Å
616T59.9Low82.9Confident147 Ų14744.1 Ų44.190%0.90222%0.223SC*.SBendtrans-64.3-14165.354.50000113.3
617T65.8Low82.7Confident49 Ų4948.8 Ų48.830%0.30124%0.244SC..SBendtrans-138.7160.117055.90000108.6E615E615-T617 CarbonylContact C-O 3.35Å; E615-T617 PolarHBondContact N-O 3.17Å; E615-T617 PolarHBondContact O-N 2.8Å
618V77.3Confident81.7Confident39 Ų3950.8 Ų50.824%0.23628%0.277CS..EExtended strand (participates in β ladder)trans-98.1125.1176.2-172.30000109.3I612 L613 R614 Y620 H858 G863I612-V618 HydrophobicContact CG2-CG1 3.63Å; L613-V618 WeakPolarHBondContact O-CA 3.41Å; R614-V618 HydrophobicContact CG-CG1 4.34Å; V618-Y620 HydrophobicContact CB-CE2 4Å; V618-Y620 HydrophobicContact CG1-CD2 3.97Å; V618-Y620 HydrophobicContact CG1-CE2 3.39Å; V618-H858 PolarHBondContact O-CE1 3.32Å; V618-G863 PolarHBondContact N-O 3.26Å; V618-G863 VanDerWaalsContact O-CA 3.25Å; V618-G863 WeakPolarHBondContact O-CA 3.18Å
619K79.9Confident80.9Confident99 Ų9957.1 Ų57.143%0.4331%0.307SS..EExtended strand (participates in β ladder)trans-106.3137.3173.8-65.4168.6-177.1152.10109.2I612 L613 E615I612-K619 WeakPolarHBondContact CA-O 3.37Å; L613-K619 HydrophobicContact CB-CB 4.45Å; L613-K619 HydrophobicContact CD2-CD 4.49Å; L613-K619 PolarHBondContact N-O 3.07Å; L613-K619 PolarHBondContact O-N 3.1Å; E615-K619 IonicContact OE2-NZ 3.57Å; E615-K619 PolarHBondContact OE2-NZ 2.71Å
620Y84.3Confident80Confident32 Ų3258 Ų5813%0.12531%0.312CS..EExtended strand (participates in β ladder)trans-123116.2177.8-63.1-104.2000109.9L571 F576 I583 V610 H611 I612 V618 H858L571-Y620 HydrophobicContact CD1-CD1 3.92Å; L571-Y620 HydrophobicContact CD1-CE1 4.17Å; F576-Y620 HydrophobicContact CE2-CG 4.48Å; I583-Y620 HydrophobicContact CD1-CD1 3.89Å; I583-Y620 HydrophobicContact CD1-CD2 4.27Å; I583-Y620 HydrophobicContact CD1-CE1 3.91Å; I583-Y620 HydrophobicContact CD1-CE2 4.3Å; I583-Y620 HydrophobicContact CD1-CG 4.08Å; I583-Y620 HydrophobicContact CG1-CE1 4.14Å; I583-Y620 HydrophobicContact CG1-CE2 4.27Å; I583-Y620 HydrophobicContact CG2-CE1 3.72Å; V610-Y620 HydrophobicContact CG1-CD1 4.12Å; H611-Y620 WeakPolarHBondContact O-CA 3.43Å; I612-Y620 HydrophobicContact CD1-CD1 3.75Å; I612-Y620 HydrophobicContact CD1-CE1 3.53Å; I612-Y620 HydrophobicContact CG1-CD1 3.67Å; I612-Y620 HydrophobicContact CG1-CE1 3.94Å; I612-Y620 HydrophobicContact CG2-CD1 4.48Å; I612-Y620 HydrophobicContact CG2-CE1 4.33Å; V618-Y620 HydrophobicContact CB-CE2 4Å; V618-Y620 HydrophobicContact CG1-CD2 3.97Å; V618-Y620 HydrophobicContact CG1-CE2 3.39Å; Y620-H858 AromaticContact CD2-CD2 3.93Å; Y620-H858 AromaticContact CD2-CE1 3.45Å; Y620-H858 VanDerWaalsContact CD2-CE1 3.45Å; Y620-H858 WeakPolarHBondContact CD2-CE1 3.39Å; Y620-H858 AromaticContact CD2-ND1 3.85Å; Y620-H858 AromaticContact CD2-NE2 3.5Å; Y620-H858 WeakPolarHBondContact CD2-NE2 3.43Å; Y620-H858 AromaticContact CE2-CE1 3.51Å; Y620-H858 AromaticContact CE2-ND1 3.56Å
621S87.5Confident79.1Confident38 Ų3862.8 Ų62.827%0.26634%0.335SS..EExtended strand (participates in β ladder)trans-111.5116.3-179.8-58.90000110.1V610 H611V610-S621 WeakPolarHBondContact CA-O 3.29Å; H611-S621 PolarHBondContact N-O 3Å; H611-S621 PolarHBondContact O-N 2.88Å
622K90.1Very high78.2Confident27 Ų2765.1 Ų65.112%0.11735%0.347CS..EExtended strand (participates in β ladder)trans-63137.8171.3-167.1173.3179.2178.20108.9E573 F576 D577 C608 R624 D647E573-K622 WeakPolarHBondContact OE1-CE 3.33Å; E573-K622 IonicContact OE1-NZ 3.35Å; E573-K622 PolarHBondContact OE1-NZ 2.66Å; F576-K622 HydrophobicContact CD1-CB 4.42Å; F576-K622 HydrophobicContact CD1-CD 4.31Å; F576-K622 HydrophobicContact CE1-CB 3.77Å; F576-K622 HydrophobicContact CE1-CD 4.42Å; F576-K622 HydrophobicContact CE1-CG 4.41Å; F576-K622 HydrophobicContact CZ-CB 4.43Å; D577-K622 IonicContact OD1-NZ 2.61Å; D577-K622 IonicContact OD2-NZ 3.6Å; D577-K622 PolarHBondContact OD2-NZ 2.82Å; C608-K622 HydrophobicContact CB-CG 4.44Å; K622-R624 HydrophobicContact CD-CG 4.41Å; K622-R624 HydrophobicContact CG-CG 4.34Å; K622-D647 VanDerWaalsContact CE-OD1 3.25Å; K622-D647 WeakPolarHBondContact CE-OD1 3.28Å; K622-D647 IonicContact NZ-OD1 3.53Å; K622-D647 PolarHBondContact NZ-OD1 2.97Å; K622-D647 IonicContact NZ-OD2 2.87Å; K622-D647 PolarHBondContact NZ-OD2 2.84Å
623I91.1Very high77Confident3 Ų366.8 Ų66.82%0.01536%0.356CS..EExtended strand (participates in β ladder)trans-117.898.1176.3-50.6-64.4000106.2F568 L609 H611 V656 E657 V660 H671F568-I623 HydrophobicContact CD1-CG1 4.36Å; F568-I623 HydrophobicContact CE1-CD1 4.28Å; F568-I623 HydrophobicContact CE1-CG1 4.05Å; L609-I623 HydrophobicContact CB-CB 4.22Å; L609-I623 HydrophobicContact CD2-CB 4.14Å; L609-I623 HydrophobicContact CD2-CG2 4.02Å; L609-I623 HydrophobicContact CG-CB 4.17Å; L609-I623 PolarHBondContact O-N 2.71Å; H611-I623 HydrophobicContact CB-CD1 4.15Å; H611-I623 HydrophobicContact CB-CG1 4.32Å; I623-V656 HydrophobicContact CD1-CB 4.27Å; I623-V656 HydrophobicContact CD1-CG1 3.96Å; I623-E657 HydrophobicContact CD1-CB 3.98Å; I623-E657 HydrophobicContact CG2-CG 4.44Å; I623-V660 HydrophobicContact CG2-CB 3.83Å; I623-V660 HydrophobicContact CG2-CG1 3.65Å; I623-V660 HydrophobicContact CG2-CG2 4.06Å; I623-H671 PolarHBondContact O-CE1 3.04Å
624R90.1Very high76.2Confident22 Ų2267 Ų678%0.08336%0.357CS..PPolyproline II helixtrans-75153.9-179.1-61.2167.3-64.2147.8-0.8109.9K622 D647 C649 Y651 E657 W661K622-R624 HydrophobicContact CD-CG 4.41Å; K622-R624 HydrophobicContact CG-CG 4.34Å; R624-D647 WeakPolarHBondContact CD-OD1 3.4Å; R624-D647 VanDerWaalsContact CG-OD1 3.26Å; R624-D647 WeakPolarHBondContact CG-OD1 3.31Å; R624-D647 PolarHBondContact NH1-O 3.18Å; R624-C649 PolarHBondContact NH1-O 3.42Å; R624-Y651 PolarHBondContact NH2-O 3.48Å; R624-E657 VanDerWaalsContact CB-OE1 3.31Å; R624-E657 WeakPolarHBondContact CB-OE1 3.35Å; R624-E657 WeakPolarHBondContact CG-OE1 3Å; R624-E657 IonicContact CZ-OE1 2.7Å; R624-E657 IonicContact CZ-OE2 2.85Å; R624-E657 PolarHBondContact N-OE1 2.84Å; R624-E657 IonicContact NE-OE1 3.3Å; R624-E657 PolarHBondContact NE-OE1 3.01Å; R624-E657 IonicContact NE-OE2 3.66Å; R624-E657 IonicContact NH2-OE1 3.67Å; R624-E657 IonicContact NH2-OE2 3.42Å; R624-E657 PolarHBondContact NH2-OE2 3.42Å; R624-W661 HydrophobicContact CB-CZ2 4.4Å; R624-W661 PolarHBondContact O-NE1 2.73Å
625S85.5Confident76Confident55 Ų5560.3 Ų60.339%0.38533%0.332SS..PPolyproline II helixtrans-66.2136178.9-55.10000111.1H627 H671S625-H627 PolarHBondContact O-CE1 3.37Å; S625-H627 VanDerWaalsContact O-CE1 3.29Å; S625-H627 PolarHBondContact O-ND1 3.12Å; S625-H671 PolarHBondContact OG-CE1 3.4Å; S625-H671 VanDerWaalsContact OG-CE1 3.29Å
626F83.4Confident75.6Confident47 Ų4764.3 Ų64.321%0.20634%0.343CS..PPolyproline II helixtrans-67.6132.4169.4178.6-109.1000111.1C630 L632 W661 Q664 N665F626-C630 HydrophobicContact CD2-CB 3.74Å; F626-C630 HydrophobicContact CE2-CB 3.75Å; F626-L632 HydrophobicContact CD2-CD2 4.24Å; F626-L632 HydrophobicContact CE2-CD2 3.76Å; F626-L632 HydrophobicContact CE2-CG 4.46Å; F626-W661 HydrophobicContact CB-CB 4.23Å; F626-W661 HydrophobicContact CB-CG 4.06Å; F626-W661 HydrophobicContact CD2-CB 3.78Å; F626-W661 HydrophobicContact CD2-CD2 4.23Å; F626-W661 HydrophobicContact CD2-CE3 4.47Å; F626-W661 AromaticContact CD2-CG 3.95Å; F626-W661 HydrophobicContact CD2-CG 3.95Å; F626-W661 HydrophobicContact CG-CB 4.29Å; F626-W661 HydrophobicContact CG-CG 4.45Å; F626-Q664 HydrophobicContact CB-CB 4.01Å; F626-Q664 VanDerWaalsContact CB-OE1 3.31Å; F626-N665 HydrophobicContact CD1-CB 4.07Å; F626-N665 HydrophobicContact CE1-CB 3.56Å; F626-N665 WeakPolarHBondContact CE1-OD1 3.39Å; F626-N665 HydrophobicContact CZ-CB 3.87Å; F626-N665 WeakPolarHBondContact CZ-OD1 3.13Å
627H78.3Confident75.5Confident119 Ų11963 Ų6355%0.55133%0.326SS*.  trans-128.9157.3175.7-58.491.4000109.7S625 Q629 C630S625-H627 PolarHBondContact O-CE1 3.37Å; S625-H627 VanDerWaalsContact O-CE1 3.29Å; S625-H627 PolarHBondContact O-ND1 3.12Å; H627-Q629 PolarHBondContact O-N 3.14Å; H627-C630 PolarHBondContact N-SG 3.43Å; H627-C630 VanDerWaalsContact O-CB 3.24Å; H627-C630 WeakPolarHBondContact O-CB 3.28Å; H627-C630 PolarHBondContact O-N 3.33Å
628G68.6Low75.5Confident86 Ų8663.3 Ų63.389%0.88732%0.324SS*.THydrogen-bonded Turntrans-63.6-2.4-179.300000116.5
629Q72.9Confident74.3Confident140 Ų14066.9 Ų66.965%0.65435%0.346SS*.THydrogen-bonded Turntrans-97.2-14.3172-62.4178.1-2.200112.7H627 F650H627-Q629 PolarHBondContact O-N 3.14Å; Q629-F650 HydrophobicContact CB-CD1 3.97Å; Q629-F650 HydrophobicContact CB-CE1 3.97Å
630C75.5Confident72.8Confident18 Ų1868.6 Ų68.612%0.12235%0.349CS..  trans-69.2135.2-179.8-64.40000111.3F626 H627 F650 W661F626-C630 HydrophobicContact CD2-CB 3.74Å; F626-C630 HydrophobicContact CE2-CB 3.75Å; H627-C630 PolarHBondContact N-SG 3.43Å; H627-C630 VanDerWaalsContact O-CB 3.24Å; H627-C630 WeakPolarHBondContact O-CB 3.28Å; H627-C630 PolarHBondContact O-N 3.33Å; C630-F650 CarbonylContact C-O 3.56Å; C630-F650 WeakPolarHBondContact CA-O 3.26Å; C630-W661 HydrophobicContact CB-CE3 3.96Å; C630-W661 HydrophobicContact CB-CH2 4.17Å; C630-W661 HydrophobicContact CB-CZ3 3.74Å
631Q69.7Low71.6Confident102 Ų10269.9 Ų69.948%0.47735%0.354SS..EExtended strand (participates in β ladder)trans-94133.6172.6-60.7-58.2-54.300109.6D633 F650 Y651Q631-D633 PolarHBondContact O-N 3.42Å; Q631-F650 PolarHBondContact N-O 3.1Å; Q631-Y651 HydrophobicContact CB-CD1 3.77Å; Q631-Y651 HydrophobicContact CB-CE1 3.59Å; Q631-Y651 HydrophobicContact CG-CE1 4.02Å
632L71.8Confident70.4Confident55 Ų5568.4 Ų68.429%0.28835%0.345SS..EExtended strand (participates in β ladder)trans-82.456.1179.5-58.8176.9000111.7F626 L658 W661 I662F626-L632 HydrophobicContact CD2-CD2 4.24Å; F626-L632 HydrophobicContact CE2-CD2 3.76Å; F626-L632 HydrophobicContact CE2-CG 4.46Å; L632-L658 HydrophobicContact CB-CD1 4.14Å; L632-L658 HydrophobicContact CD2-CD1 4.3Å; L632-W661 HydrophobicContact CD2-CB 3.77Å; L632-W661 HydrophobicContact CD2-CE3 4.49Å; L632-I662 HydrophobicContact CD1-CG1 4.23Å; L632-I662 HydrophobicContact CD2-CG1 4.16Å
633D61.8Low69.6Low38 Ų3867.4 Ų67.420%0.20334%0.342CS..EExtended strand (participates in β ladder)trans-142.5164.2173.3-173.420.3000109.5Q631 Y651 A652Q631-D633 PolarHBondContact O-N 3.42Å; D633-Y651 HydrophobicContact CB-CD1 4.06Å; D633-Y651 HydrophobicContact CB-CE1 4.27Å; D633-A652 PolarHBondContact O-N 2.68Å
634L65.5Low68.5Low34 Ų3474.1 Ų74.118%0.17838%0.377CS..EExtended strand (participates in β ladder)trans-82.1143.3-177.2-66170.7000113.1R636 A652 L655 L658L634-R636 PolarHBondContact O-N 2.83Å; L634-A652 WeakPolarHBondContact CA-O 3.39Å; L634-A652 HydrophobicContact CD2-CB 4.38Å; L634-L655 HydrophobicContact CD1-CD2 3.78Å; L634-L655 HydrophobicContact CD2-CD2 4.31Å; L634-L658 HydrophobicContact CD2-CB 4.27Å; L634-L658 HydrophobicContact CD2-CD2 3.72Å; L634-L658 HydrophobicContact CG-CD2 3.79Å
635C68Low67.6Low3 Ų380.1 Ų80.12%0.0240%0.399CS..  trans-70.8103.2176.3-175.90000111.3H637 E638 C649 A652 H653C635-H637 PolarHBondContact O-N 3.01Å; C635-E638 HydrophobicContact CB-CB 4.16Å; C635-E638 PolarHBondContact O-N 3.05Å; C635-C649 VanDerWaalsContact SG-SG 3.63Å; C635-A652 WeakPolarHBondContact CB-O 3.47Å; C635-A652 PolarHBondContact N-O 2.69Å; C635-H653 VanDerWaalsContact CB-CD2 3.48Å; C635-H653 WeakPolarHBondContact CB-CD2 2.84Å
636R59.6Low67.3Low198 Ų19880.4 Ų80.475%0.74739%0.394SS*.THydrogen-bonded Turntrans-56.9-21.7177.7-57.5-176.5-171.7-176.73.3114.1L634L634-R636 PolarHBondContact O-N 2.83Å
637H58.4Low67.2Low120 Ų12081.6 Ų81.656%0.55640%0.403SS*.THydrogen-bonded Turntrans-81.9-38176.9-61.2101.7000112.5C635 V639 R640 Y641 G642C635-H637 PolarHBondContact O-N 3.01Å; H637-V639 VanDerWaalsContact C-N 3.33Å; H637-V639 PolarHBondContact O-N 2.96Å; H637-R640 PolarHBondContact O-N 3.16Å; H637-Y641 PolarHBondContact O-N 2.76Å; H637-G642 CarbonylContact O-C 3.14Å; H637-G642 PolarHBondContact O-N 3.06Å
638E66.3Low67.3Low55 Ų5583.4 Ų83.426%0.25741%0.412SS..THydrogen-bonded Turntrans-61-44.8179-166.460.6-142.200110.9C635 R640 G642 C643 H653 K946C635-E638 HydrophobicContact CB-CB 4.16Å; C635-E638 PolarHBondContact O-N 3.05Å; E638-R640 VanDerWaalsContact C-N 3.26Å; E638-R640 PolarHBondContact O-N 3.32Å; E638-G642 PolarHBondContact O-N 2.95Å; E638-C643 HydrophobicContact CB-CB 4.3Å; E638-C643 WeakPolarHBondContact OE2-CB 3.39Å; E638-C643 PolarHBondContact OE2-N 2.76Å; E638-H653 HydrophobicContact CG-CB 4.18Å; E638-H653 IonicContact OE2-ND1 2.75Å; E638-K946 IonicContact OE1-NZ 3.16Å; E638-K946 PolarHBondContact OE1-NZ 2.99Å
639V51.7Low67.8Low114 Ų11479.7 Ų79.769%0.69137%0.372SS*.THydrogen-bonded Turntrans-61.6-28179.1-177.80000113.3H637H637-V639 VanDerWaalsContact C-N 3.33Å; H637-V639 PolarHBondContact O-N 2.96Å
640R48.7Very low68.1Low134 Ų13476.9 Ų76.951%0.50636%0.358SS..THydrogen-bonded Turntrans-105.3-42.7-171.8-157.2175.7175174.8-4.4114H637 E638H637-R640 PolarHBondContact O-N 3.16Å; E638-R640 VanDerWaalsContact C-N 3.26Å; E638-R640 PolarHBondContact O-N 3.32Å
641Y58.9Low68.1Low60 Ų6080.6 Ų80.624%0.23537%0.37CS..THydrogen-bonded Turntrans-140.6-8.5-174-50.4-54000114.3H637 A939 K943H637-Y641 PolarHBondContact O-N 2.76Å; Y641-A939 HydrophobicContact CD1-CB 4.47Å; Y641-A939 HydrophobicContact CE1-CB 3.64Å; Y641-K943 HydrophobicContact CD1-CG 4.47Å
642G63.2Low68.3Low7 Ų775.8 Ų75.87%0.07235%0.348CS..  trans91.2143.7-161.700000112.7H637 E638H637-G642 CarbonylContact O-C 3.14Å; H637-G642 PolarHBondContact O-N 3.06Å; E638-G642 PolarHBondContact O-N 2.95Å
643C71.6Confident68.5Low6 Ų675.5 Ų75.54%0.04135%0.345CS..  trans-85.2114.2-180-174.50000111.2E638 R645 E646 C649 H653E638-C643 HydrophobicContact CB-CB 4.3Å; E638-C643 WeakPolarHBondContact OE2-CB 3.39Å; E638-C643 PolarHBondContact OE2-N 2.76Å; C643-R645 PolarHBondContact O-N 2.89Å; C643-R645 VanDerWaalsContact O-N 3.15Å; C643-E646 PolarHBondContact O-N 2.91Å; C643-E646 VanDerWaalsContact O-N 3.14Å; C643-C649 VanDerWaalsContact SG-CB 3.55Å; C643-C649 PolarHBondContact SG-SG 3.21Å; C643-H653 VanDerWaalsContact CB-CE1 3.46Å; C643-H653 WeakPolarHBondContact CB-CE1 3.39Å; C643-H653 VanDerWaalsContact CB-NE2 3.31Å; C643-H653 WeakPolarHBondContact CB-NE2 3.29Å; C643-H653 PolarHBondContact SG-NE2 3Å
644L68.3Low69.3Low144 Ų14475 Ų7575%0.75434%0.344SS*.THydrogen-bonded Turntrans-64-17.9179.6-62.3176.5000114.3
645R72.2Confident69.9Low148 Ų14874.6 Ų74.656%0.55834%0.342SS*.THydrogen-bonded Turntrans-84-10.1178.3-61.3-172.7-174.4-176.41.2113.5C643 D647 E648 C649C643-R645 PolarHBondContact O-N 2.89Å; C643-R645 VanDerWaalsContact O-N 3.15Å; R645-D647 PolarHBondContact O-N 2.87Å; R645-D647 VanDerWaalsContact O-N 3.16Å; R645-E648 HydrophobicContact CB-CB 4.33Å; R645-E648 WeakPolarHBondContact O-CB 3.3Å; R645-E648 PolarHBondContact O-N 2.81Å; R645-C649 HydrophobicContact CB-CB 4.16Å
646E79.3Confident70.6Confident60 Ų6075 Ų7528%0.2834%0.344SS..G310 helixtrans45.7-119.1-179.4-62.6-179.5-142.200111K579 C643 E648 C649 H653 K949K579-E646 IonicContact NZ-OE1 2.67Å; K579-E646 PolarHBondContact NZ-OE1 3.05Å; K579-E646 IonicContact NZ-OE2 3.83Å; K579-E646 PolarHBondContact NZ-OE2 3.47Å; C643-E646 PolarHBondContact O-N 2.91Å; C643-E646 VanDerWaalsContact O-N 3.14Å; E646-E648 VanDerWaalsContact C-N 3.33Å; E646-E648 PolarHBondContact O-N 2.98Å; E646-C649 PolarHBondContact O-N 3.45Å; E646-H653 PolarHBondContact O-CE1 2.88Å; E646-K949 WeakPolarHBondContact OE1-CE 3.3Å; E646-K949 IonicContact OE1-NZ 3.55Å; E646-K949 PolarHBondContact OE1-NZ 3.29Å
647D81.3Confident71.9Confident73 Ų7365.6 Ų65.639%0.3931%0.309SS..G310 helixtrans-66.2-29.3-178.6-71.1-56.1000114.4K622 R624 R645 C649K622-D647 VanDerWaalsContact CE-OD1 3.25Å; K622-D647 WeakPolarHBondContact CE-OD1 3.28Å; K622-D647 IonicContact NZ-OD1 3.53Å; K622-D647 PolarHBondContact NZ-OD1 2.97Å; K622-D647 IonicContact NZ-OD2 2.87Å; K622-D647 PolarHBondContact NZ-OD2 2.84Å; R624-D647 WeakPolarHBondContact CD-OD1 3.4Å; R624-D647 VanDerWaalsContact CG-OD1 3.26Å; R624-D647 WeakPolarHBondContact CG-OD1 3.31Å; R624-D647 PolarHBondContact NH1-O 3.18Å; R645-D647 PolarHBondContact O-N 2.87Å; R645-D647 VanDerWaalsContact O-N 3.16Å; D647-C649 PolarHBondContact O-N 3.44Å
648E79.8Confident72.9Confident157 Ų15760.1 Ų60.173%0.73428%0.284SS*.G310 helixtrans-70.61.8179.9-54.8-177.4161.800113.9R645 E646 F650R645-E648 HydrophobicContact CB-CB 4.33Å; R645-E648 WeakPolarHBondContact O-CB 3.3Å; R645-E648 PolarHBondContact O-N 2.81Å; E646-E648 VanDerWaalsContact C-N 3.33Å; E646-E648 PolarHBondContact O-N 2.98Å; E648-F650 PolarHBondContact O-N 3.28Å
649C80.1Confident73.5Confident8 Ų858.5 Ų58.55%0.05428%0.276CS..  trans-74.7118.7179.8-164.30000112.4R624 C635 C643 R645 E646 D647 Y651 H653R624-C649 PolarHBondContact NH1-O 3.42Å; C635-C649 VanDerWaalsContact SG-SG 3.63Å; C643-C649 VanDerWaalsContact SG-CB 3.55Å; C643-C649 PolarHBondContact SG-SG 3.21Å; R645-C649 HydrophobicContact CB-CB 4.16Å; E646-C649 PolarHBondContact O-N 3.45Å; D647-C649 PolarHBondContact O-N 3.44Å; C649-Y651 PolarHBondContact O-N 3.13Å; C649-H653 WeakPolarHBondContact CB-NE2 3.47Å
650F77.9Confident75.1Confident81 Ų8153.1 Ų53.136%0.35524%0.243SC..SBendtrans-60.3-14.1173.9-53.9-66.9000114.7Q629 C630 Q631 E648Q629-F650 HydrophobicContact CB-CD1 3.97Å; Q629-F650 HydrophobicContact CB-CE1 3.97Å; C630-F650 CarbonylContact C-O 3.56Å; C630-F650 WeakPolarHBondContact CA-O 3.26Å; Q631-F650 PolarHBondContact N-O 3.1Å; E648-F650 PolarHBondContact O-N 3.28Å
651Y75.1Confident76.8Confident96 Ų9646.8 Ų46.838%0.37622%0.219SC..EExtended strand (participates in β ladder)trans-106.3152-178.6-63.5-84.7000111.6R624 Q631 D633 C649 H653R624-Y651 PolarHBondContact NH2-O 3.48Å; Q631-Y651 HydrophobicContact CB-CD1 3.77Å; Q631-Y651 HydrophobicContact CB-CE1 3.59Å; Q631-Y651 HydrophobicContact CG-CE1 4.02Å; D633-Y651 HydrophobicContact CB-CD1 4.06Å; D633-Y651 HydrophobicContact CB-CE1 4.27Å; C649-Y651 PolarHBondContact O-N 3.13Å; Y651-H653 PolarHBondContact O-CD2 2.74Å
652A75.2Confident77.7Confident1 Ų145 Ų451%0.00821%0.213CC..EExtended strand (participates in β ladder)trans-72.5138.6-179.100000112D633 L634 C635 E657 L658 W661D633-A652 PolarHBondContact O-N 2.68Å; L634-A652 WeakPolarHBondContact CA-O 3.39Å; L634-A652 HydrophobicContact CD2-CB 4.38Å; C635-A652 WeakPolarHBondContact CB-O 3.47Å; C635-A652 PolarHBondContact N-O 2.69Å; A652-E657 WeakPolarHBondContact CA-OE2 3.43Å; A652-E657 HydrophobicContact CB-CG 4.47Å; A652-L658 HydrophobicContact CB-CB 3.58Å; A652-L658 HydrophobicContact CB-CD1 4Å; A652-L658 HydrophobicContact CB-CD2 4.48Å; A652-L658 HydrophobicContact CB-CG 4.21Å; A652-W661 HydrophobicContact CB-CE3 4.01Å; A652-W661 HydrophobicContact CB-CH2 4.41Å; A652-W661 HydrophobicContact CB-CZ3 3.96Å
653H75.9Confident78.6Confident49 Ų4944.8 Ų44.823%0.22721%0.211CC..SBendtrans-92.2-10.2-177.8-73-173.6000113.1C635 E638 C643 E646 C649 Y651 E657C635-H653 VanDerWaalsContact CB-CD2 3.48Å; C635-H653 WeakPolarHBondContact CB-CD2 2.84Å; E638-H653 HydrophobicContact CG-CB 4.18Å; E638-H653 IonicContact OE2-ND1 2.75Å; C643-H653 VanDerWaalsContact CB-CE1 3.46Å; C643-H653 WeakPolarHBondContact CB-CE1 3.39Å; C643-H653 VanDerWaalsContact CB-NE2 3.31Å; C643-H653 WeakPolarHBondContact CB-NE2 3.29Å; C643-H653 PolarHBondContact SG-NE2 3Å; E646-H653 PolarHBondContact O-CE1 2.88Å; C649-H653 WeakPolarHBondContact CB-NE2 3.47Å; Y651-H653 PolarHBondContact O-CD2 2.74Å; H653-E657 PolarHBondContact N-OE2 3.26Å
654S79.2Confident79.3Confident26 Ų2645.7 Ų45.718%0.18221%0.214CC..SBendtrans-148.2159171.868.30000112.2V656 E657 L658S654-V656 PolarHBondContact O-N 2.74Å; S654-E657 PolarHBondContact O-N 3.29Å; S654-E657 WeakPolarHBondContact OG-CB 3.49Å; S654-E657 PolarHBondContact OG-N 2.65Å; S654-L658 PolarHBondContact O-N 3.4Å
655L77.3Confident79.9Confident27 Ų2743 Ų4314%0.14120%0.201CC..Hα-helixtrans-58.2-32.3172-68.9175.3000112.8E500 R537 H564 L634 K659E500-L655 HydrophobicContact CG-CD1 3.96Å; E500-L655 WeakPolarHBondContact OE1-CD1 3.39Å; R537-L655 WeakPolarHBondContact O-CD2 3.43Å; H564-L655 WeakPolarHBondContact NE2-CB 3.11Å; L634-L655 HydrophobicContact CD1-CD2 3.78Å; L634-L655 HydrophobicContact CD2-CD2 4.31Å; L655-K659 WeakPolarHBondContact O-CG 3.39Å; L655-K659 PolarHBondContact O-N 3.12Å
656V82.7Confident80Confident11 Ų1138.5 Ų38.57%0.06719%0.186CC..Hα-helixtrans-70.2-48178.1-172.60000110.2L560 H564 F568 H611 I623 S654 L658 K659 V660L560-V656 HydrophobicContact CD2-CG1 4.07Å; H564-V656 HydrophobicContact CB-CG2 4.2Å; F568-V656 HydrophobicContact CE1-CG1 3.83Å; F568-V656 HydrophobicContact CZ-CG1 3.6Å; H611-V656 HydrophobicContact CB-CG1 3.95Å; I623-V656 HydrophobicContact CD1-CB 4.27Å; I623-V656 HydrophobicContact CD1-CG1 3.96Å; S654-V656 PolarHBondContact O-N 2.74Å; V656-L658 PolarHBondContact O-N 3.1Å; V656-K659 PolarHBondContact O-N 3.43Å; V656-V660 WeakPolarHBondContact O-CG2 3.39Å; V656-V660 PolarHBondContact O-N 3.4Å
657E86.1Confident79.9Confident1 Ų138.6 Ų38.61%0.00519%0.191CC..Hα-helixtrans-60.2-45.6176.3-176.3177.4-119.600111.4I623 R624 A652 H653 S654 K659 V660 W661I623-E657 HydrophobicContact CD1-CB 3.98Å; I623-E657 HydrophobicContact CG2-CG 4.44Å; R624-E657 VanDerWaalsContact CB-OE1 3.31Å; R624-E657 WeakPolarHBondContact CB-OE1 3.35Å; R624-E657 WeakPolarHBondContact CG-OE1 3Å; R624-E657 IonicContact CZ-OE1 2.7Å; R624-E657 IonicContact CZ-OE2 2.85Å; R624-E657 PolarHBondContact N-OE1 2.84Å; R624-E657 IonicContact NE-OE1 3.3Å; R624-E657 PolarHBondContact NE-OE1 3.01Å; R624-E657 IonicContact NE-OE2 3.66Å; R624-E657 IonicContact NH2-OE1 3.67Å; R624-E657 IonicContact NH2-OE2 3.42Å; R624-E657 PolarHBondContact NH2-OE2 3.42Å; A652-E657 WeakPolarHBondContact CA-OE2 3.43Å; A652-E657 HydrophobicContact CB-CG 4.47Å; H653-E657 PolarHBondContact N-OE2 3.26Å; S654-E657 PolarHBondContact O-N 3.29Å; S654-E657 WeakPolarHBondContact OG-CB 3.49Å; S654-E657 PolarHBondContact OG-N 2.65Å; E657-K659 VanDerWaalsContact C-N 3.33Å; E657-K659 PolarHBondContact O-N 2.92Å; E657-V660 CarbonylContact O-C 3.56Å; E657-V660 WeakPolarHBondContact O-CA 3.41Å; E657-V660 PolarHBondContact O-N 3.04Å; E657-W661 HydrophobicContact CG-CD2 4.39Å; E657-W661 HydrophobicContact CG-CZ2 4.18Å; E657-W661 PolarHBondContact O-N 3.43Å
658L79.7Confident79.8Confident4 Ų438.3 Ų38.32%0.02121%0.205CC..Hα-helixtrans-60.1-41.4-180-174.646.8000112.5K538 L632 L634 A652 S654 V656 W661 I662K538-L658 VanDerWaalsContact O-CD2 3.23Å; K538-L658 WeakPolarHBondContact O-CD2 3.19Å; L632-L658 HydrophobicContact CB-CD1 4.14Å; L632-L658 HydrophobicContact CD2-CD1 4.3Å; L634-L658 HydrophobicContact CD2-CB 4.27Å; L634-L658 HydrophobicContact CD2-CD2 3.72Å; L634-L658 HydrophobicContact CG-CD2 3.79Å; A652-L658 HydrophobicContact CB-CB 3.58Å; A652-L658 HydrophobicContact CB-CD1 4Å; A652-L658 HydrophobicContact CB-CD2 4.48Å; A652-L658 HydrophobicContact CB-CG 4.21Å; S654-L658 PolarHBondContact O-N 3.4Å; V656-L658 PolarHBondContact O-N 3.1Å; L658-W661 PolarHBondContact O-N 2.89Å; L658-I662 HydrophobicContact CD1-CD1 4.38Å; L658-I662 HydrophobicContact CG-CD1 4.29Å; L658-I662 VanDerWaalsContact O-CG1 3.31Å; L658-I662 WeakPolarHBondContact O-CG1 3.4Å; L658-I662 PolarHBondContact O-N 2.95Å
659K80Confident80.1Confident22 Ų2232.3 Ų32.310%0.09618%0.178CC..Hα-helixtrans-68.5-34174.6-74.4-178.7-170.3172.40113L555 L560 E563 L655 V656 E657 M663L555-K659 HydrophobicContact CD2-CB 3.93Å; L555-K659 HydrophobicContact CD2-CG 4.28Å; L555-K659 WeakPolarHBondContact CD2-O 3.45Å; L560-K659 HydrophobicContact CD1-CB 3.79Å; L560-K659 HydrophobicContact CG-CB 4.35Å; E563-K659 IonicContact OE1-NZ 2.73Å; E563-K659 PolarHBondContact OE1-NZ 3.34Å; E563-K659 IonicContact OE2-NZ 3.5Å; E563-K659 PolarHBondContact OE2-NZ 3.45Å; L655-K659 WeakPolarHBondContact O-CG 3.39Å; L655-K659 PolarHBondContact O-N 3.12Å; V656-K659 PolarHBondContact O-N 3.43Å; E657-K659 VanDerWaalsContact C-N 3.33Å; E657-K659 PolarHBondContact O-N 2.92Å; K659-M663 VanDerWaalsContact O-CB 3.3Å; K659-M663 WeakPolarHBondContact O-CB 3.34Å; K659-M663 PolarHBondContact O-N 2.86Å
660V85.2Confident80.4Confident0 Ų034.8 Ų34.80%020%0.195CC..Hα-helixtrans-64.7-44.8171.5171.60000110.2L560 F568 I623 V656 E657 I662 M663 Q664 I674L560-V660 HydrophobicContact CD1-CG2 3.95Å; F568-V660 HydrophobicContact CE1-CG2 4.11Å; F568-V660 HydrophobicContact CZ-CG2 4.21Å; I623-V660 HydrophobicContact CG2-CB 3.83Å; I623-V660 HydrophobicContact CG2-CG1 3.65Å; I623-V660 HydrophobicContact CG2-CG2 4.06Å; V656-V660 WeakPolarHBondContact O-CG2 3.39Å; V656-V660 PolarHBondContact O-N 3.4Å; E657-V660 CarbonylContact O-C 3.56Å; E657-V660 WeakPolarHBondContact O-CA 3.41Å; E657-V660 PolarHBondContact O-N 3.04Å; V660-I662 PolarHBondContact O-N 3.1Å; V660-M663 HydrophobicContact CG2-CE 4.35Å; V660-M663 PolarHBondContact O-N 3.49Å; V660-Q664 HydrophobicContact CG1-CG 4.06Å; V660-Q664 WeakPolarHBondContact O-CB 3.42Å; V660-Q664 VanDerWaalsContact O-CG 3.27Å; V660-Q664 WeakPolarHBondContact O-CG 3.43Å; V660-Q664 PolarHBondContact O-N 3.05Å; V660-I674 HydrophobicContact CG1-CD1 3.61Å
661W84.7Confident81Confident1 Ų132 Ų320%0.00418%0.183CC..Hα-helixtrans-59.6-44.6176.7-71.23.1000113.1R624 F626 C630 L632 A652 E657 L658 Q664 N665R624-W661 HydrophobicContact CB-CZ2 4.4Å; R624-W661 PolarHBondContact O-NE1 2.73Å; F626-W661 HydrophobicContact CB-CB 4.23Å; F626-W661 HydrophobicContact CB-CG 4.06Å; F626-W661 HydrophobicContact CD2-CB 3.78Å; F626-W661 HydrophobicContact CD2-CD2 4.23Å; F626-W661 HydrophobicContact CD2-CE3 4.47Å; F626-W661 AromaticContact CD2-CG 3.95Å; F626-W661 HydrophobicContact CD2-CG 3.95Å; F626-W661 HydrophobicContact CG-CB 4.29Å; F626-W661 HydrophobicContact CG-CG 4.45Å; C630-W661 HydrophobicContact CB-CE3 3.96Å; C630-W661 HydrophobicContact CB-CH2 4.17Å; C630-W661 HydrophobicContact CB-CZ3 3.74Å; L632-W661 HydrophobicContact CD2-CB 3.77Å; L632-W661 HydrophobicContact CD2-CE3 4.49Å; A652-W661 HydrophobicContact CB-CE3 4.01Å; A652-W661 HydrophobicContact CB-CH2 4.41Å; A652-W661 HydrophobicContact CB-CZ3 3.96Å; E657-W661 HydrophobicContact CG-CD2 4.39Å; E657-W661 HydrophobicContact CG-CZ2 4.18Å; E657-W661 PolarHBondContact O-N 3.43Å; L658-W661 PolarHBondContact O-N 2.89Å; W661-Q664 PolarHBondContact O-N 2.9Å; W661-N665 WeakPolarHBondContact O-CB 3.35Å; W661-N665 PolarHBondContact O-N 3.23Å
662I77.3Confident81.6Confident23 Ų2330.1 Ų30.112%0.11818%0.18CC..Hα-helixtrans-57.9-51.2173.8-68163.9000110.2I553 L632 L658 V660 Q664 N665 E666I553-I662 HydrophobicContact CD1-CG2 3.84Å; L632-I662 HydrophobicContact CD1-CG1 4.23Å; L632-I662 HydrophobicContact CD2-CG1 4.16Å; L658-I662 HydrophobicContact CD1-CD1 4.38Å; L658-I662 HydrophobicContact CG-CD1 4.29Å; L658-I662 VanDerWaalsContact O-CG1 3.31Å; L658-I662 WeakPolarHBondContact O-CG1 3.4Å; L658-I662 PolarHBondContact O-N 2.95Å; V660-I662 PolarHBondContact O-N 3.1Å; I662-Q664 VanDerWaalsContact C-N 3.34Å; I662-Q664 PolarHBondContact O-N 3.17Å; I662-N665 PolarHBondContact O-N 2.83Å; I662-E666 WeakPolarHBondContact CG2-OE2 3.35Å; I662-E666 WeakPolarHBondContact O-CG 3.07Å; I662-E666 PolarHBondContact O-N 2.74Å
663M82.6Confident82.3Confident2 Ų231.8 Ų31.81%0.0119%0.193CC..Hα-helixtrans-60-40.2178.3-176.617961.200112.5L555 V557 L560 K659 V660 E666 T667 I669 I674L555-M663 HydrophobicContact CB-CB 4.38Å; L555-M663 HydrophobicContact CB-CG 4.5Å; L555-M663 HydrophobicContact CD2-CB 4.31Å; L555-M663 WeakPolarHBondContact O-CG 3.37Å; V557-M663 HydrophobicContact CG2-CE 4.1Å; V557-M663 HydrophobicContact CG2-SD 4.14Å; L560-M663 HydrophobicContact CD1-CE 4.42Å; K659-M663 VanDerWaalsContact O-CB 3.3Å; K659-M663 WeakPolarHBondContact O-CB 3.34Å; K659-M663 PolarHBondContact O-N 2.86Å; V660-M663 HydrophobicContact CG2-CE 4.35Å; V660-M663 PolarHBondContact O-N 3.49Å; M663-E666 PolarHBondContact O-N 2.85Å; M663-T667 HydrophobicContact CG-CG2 4.47Å; M663-T667 WeakPolarHBondContact O-CB 3.31Å; M663-T667 PolarHBondContact O-N 3.33Å; M663-T667 PolarHBondContact O-OG1 3.25Å; M663-I669 HydrophobicContact CE-CG2 3.96Å; M663-I669 HydrophobicContact CG-CG2 3.9Å; M663-I669 HydrophobicContact SD-CG2 4.32Å; M663-I674 HydrophobicContact CE-CD1 3.59Å; M663-I674 HydrophobicContact CE-CG1 3.79Å
664Q85.3Confident82.9Confident25 Ų2529.4 Ų29.412%0.11718%0.182CC..Hα-helixtrans-65-46.5176.4-73.9-174-59.900112.1F626 V660 W661 I662 E666 G668 I669 H671F626-Q664 HydrophobicContact CB-CB 4.01Å; F626-Q664 VanDerWaalsContact CB-OE1 3.31Å; V660-Q664 HydrophobicContact CG1-CG 4.06Å; V660-Q664 WeakPolarHBondContact O-CB 3.42Å; V660-Q664 VanDerWaalsContact O-CG 3.27Å; V660-Q664 WeakPolarHBondContact O-CG 3.43Å; V660-Q664 PolarHBondContact O-N 3.05Å; W661-Q664 PolarHBondContact O-N 2.9Å; I662-Q664 VanDerWaalsContact C-N 3.34Å; I662-Q664 PolarHBondContact O-N 3.17Å; Q664-E666 PolarHBondContact O-N 2.81Å; Q664-G668 WeakPolarHBondContact O-CA 3.31Å; Q664-G668 PolarHBondContact O-N 2.8Å; Q664-I669 HydrophobicContact CG-CG2 4.28Å; Q664-I669 WeakPolarHBondContact CG-O 3.33Å; Q664-H671 PolarHBondContact NE2-CD2 2.97Å; Q664-H671 PolarHBondContact NE2-NE2 2.85Å; Q664-H671 VanDerWaalsContact NE2-NE2 3.11Å
665N81Confident83.3Confident89 Ų8928.8 Ų28.848%0.47618%0.179SC..Hα-helixtrans-57.4-32178.2-179.669.2000113F626 W661 I662F626-N665 HydrophobicContact CD1-CB 4.07Å; F626-N665 HydrophobicContact CE1-CB 3.56Å; F626-N665 WeakPolarHBondContact CE1-OD1 3.39Å; F626-N665 HydrophobicContact CZ-CB 3.87Å; F626-N665 WeakPolarHBondContact CZ-OD1 3.13Å; W661-N665 WeakPolarHBondContact O-CB 3.35Å; W661-N665 PolarHBondContact O-N 3.23Å; I662-N665 PolarHBondContact O-N 2.83Å
666E75.4Confident83.8Confident53 Ų5332.2 Ų32.225%0.24819%0.194CC..Hα-helixtrans-105.6-24.1-169.9-64169.2159.700114.4I553 I662 M663 Q664I553-E666 WeakPolarHBondContact CB-OE2 3.26Å; I553-E666 WeakPolarHBondContact CD1-OE1 3.25Å; I553-E666 VanDerWaalsContact CD1-OE2 3.23Å; I553-E666 WeakPolarHBondContact CD1-OE2 3.47Å; I553-E666 VanDerWaalsContact CG1-CD 3.48Å; I553-E666 WeakPolarHBondContact CG1-OE1 3.11Å; I553-E666 WeakPolarHBondContact CG1-OE2 3.24Å; I662-E666 WeakPolarHBondContact CG2-OE2 3.35Å; I662-E666 WeakPolarHBondContact O-CG 3.07Å; I662-E666 PolarHBondContact O-N 2.74Å; M663-E666 PolarHBondContact O-N 2.85Å; Q664-E666 PolarHBondContact O-N 2.81Å
667T76.9Confident83.9Confident61 Ų6134.6 Ų34.637%0.37420%0.204SC..Hα-helixtrans-114.1-15.8-179.169.70000113.9M663 I669M663-T667 HydrophobicContact CG-CG2 4.47Å; M663-T667 WeakPolarHBondContact O-CB 3.31Å; M663-T667 PolarHBondContact O-N 3.33Å; M663-T667 PolarHBondContact O-OG1 3.25Å; T667-I669 PolarHBondContact O-N 2.83Å; T667-I669 WeakPolarHBondContact OG1-CB 3.26Å; T667-I669 VanDerWaalsContact OG1-CG2 3.27Å; T667-I669 WeakPolarHBondContact OG1-CG2 3.24Å; T667-I669 PolarHBondContact OG1-N 2.75Å
668G79.3Confident84Confident67 Ų6734.7 Ų34.769%0.69121%0.205SC*.  trans68.714.3-173.500000114.2Q664 S670Q664-G668 WeakPolarHBondContact O-CA 3.31Å; Q664-G668 PolarHBondContact O-N 2.8Å; G668-S670 PolarHBondContact O-N 2.88Å
669I84.8Confident84.3Confident31 Ų3140.8 Ų40.816%0.15923%0.231CC..  trans-65.6128.2-174.7-165.7172.8000112.1V557 M663 Q664 T667 A673 I674V557-I669 HydrophobicContact CG2-CD1 3.94Å; M663-I669 HydrophobicContact CE-CG2 3.96Å; M663-I669 HydrophobicContact CG-CG2 3.9Å; M663-I669 HydrophobicContact SD-CG2 4.32Å; Q664-I669 HydrophobicContact CG-CG2 4.28Å; Q664-I669 WeakPolarHBondContact CG-O 3.33Å; T667-I669 PolarHBondContact O-N 2.83Å; T667-I669 WeakPolarHBondContact OG1-CB 3.26Å; T667-I669 VanDerWaalsContact OG1-CG2 3.27Å; T667-I669 WeakPolarHBondContact OG1-CG2 3.24Å; T667-I669 PolarHBondContact OG1-N 2.75Å; I669-A673 HydrophobicContact CD1-CB 4.07Å; I669-A673 HydrophobicContact CG1-CB 3.53Å; I669-I674 HydrophobicContact CD1-CG1 3.96Å; I669-I674 HydrophobicContact CG1-CG1 4.06Å; I669-I674 HydrophobicContact CG2-CD1 4.14Å; I669-I674 HydrophobicContact CG2-CG1 4.06Å
670S88Confident84.4Confident61 Ų6146.7 Ų46.743%0.42725%0.253SS..  trans-77.1156.9177.167.50000111.9G668 D672 A673 I674G668-S670 PolarHBondContact O-N 2.88Å; S670-D672 PolarHBondContact O-N 3.39Å; S670-A673 PolarHBondContact O-N 2.74Å; S670-A673 PolarHBondContact OG-N 2.98Å; S670-I674 WeakPolarHBondContact O-CG1 3.34Å; S670-I674 PolarHBondContact O-N 3.5Å
671H89.8Confident84.2Confident23 Ų2348.8 Ų48.811%0.10626%0.261CS..Hα-helixtrans-55.5-34.9172.2-72.3175.9000112.6F570 L609 I623 S625 Q664 I674 A675F570-H671 HydrophobicContact CE1-CB 3.98Å; F570-H671 HydrophobicContact CZ-CB 3.85Å; L609-H671 HydrophobicContact CB-CB 4.17Å; L609-H671 HydrophobicContact CD2-CB 3.93Å; L609-H671 HydrophobicContact CG-CB 4.45Å; I623-H671 PolarHBondContact O-CE1 3.04Å; S625-H671 PolarHBondContact OG-CE1 3.4Å; S625-H671 VanDerWaalsContact OG-CE1 3.29Å; Q664-H671 PolarHBondContact NE2-CD2 2.97Å; Q664-H671 PolarHBondContact NE2-NE2 2.85Å; Q664-H671 VanDerWaalsContact NE2-NE2 3.11Å; H671-I674 PolarHBondContact O-N 3.26Å; H671-A675 WeakPolarHBondContact O-CB 3.16Å; H671-A675 PolarHBondContact O-N 3.06Å
672D87.9Confident83.8Confident56 Ų5653.4 Ų53.430%0.29928%0.279SS..Hα-helixtrans-64.8-40.5175.1-73.6-71.7000112.7F570 K607 S670 Q676F570-D672 HydrophobicContact CE2-CB 4.49Å; F570-D672 WeakPolarHBondContact CE2-OD1 3.41Å; F570-D672 HydrophobicContact CZ-CB 4.47Å; F570-D672 WeakPolarHBondContact CZ-OD1 3.25Å; K607-D672 IonicContact NZ-OD1 2.74Å; K607-D672 PolarHBondContact NZ-OD1 3.3Å; K607-D672 IonicContact NZ-OD2 3.93Å; K607-D672 PolarHBondContact NZ-OD2 2.87Å; S670-D672 PolarHBondContact O-N 3.39Å; D672-Q676 WeakPolarHBondContact O-CB 3.44Å; D672-Q676 WeakPolarHBondContact O-CG 3.45Å; D672-Q676 PolarHBondContact O-N 2.78Å
673A88.3Confident83.8Confident35 Ų3556.5 Ų56.529%0.28929%0.293SS..Hα-helixtrans-66.9-37.9173.600000111.7I669 S670 Q676 E677I669-A673 HydrophobicContact CD1-CB 4.07Å; I669-A673 HydrophobicContact CG1-CB 3.53Å; S670-A673 PolarHBondContact O-N 2.74Å; S670-A673 PolarHBondContact OG-N 2.98Å; A673-Q676 PolarHBondContact O-N 2.76Å; A673-E677 WeakPolarHBondContact O-CB 3.5Å; A673-E677 PolarHBondContact O-N 2.82Å
674I88.8Confident83.3Confident0 Ų061.2 Ų61.20%032%0.318CS..Hα-helixtrans-61.8-50.4174.6-62.7171.8000111.3V557 F568 L609 V660 M663 I669 S670 H671 Q676 E677 S678V557-I674 HydrophobicContact CG1-CG2 3.91Å; V557-I674 HydrophobicContact CG2-CB 4.34Å; V557-I674 HydrophobicContact CG2-CG1 4.17Å; V557-I674 HydrophobicContact CG2-CG2 4.2Å; F568-I674 HydrophobicContact CB-CG2 4.2Å; F568-I674 HydrophobicContact CD1-CG2 4.25Å; F568-I674 HydrophobicContact CD2-CG2 4.15Å; F568-I674 HydrophobicContact CG-CG2 3.93Å; L609-I674 HydrophobicContact CD2-CB 4.31Å; L609-I674 HydrophobicContact CD2-CD1 4.25Å; L609-I674 HydrophobicContact CD2-CG2 4.11Å; V660-I674 HydrophobicContact CG1-CD1 3.61Å; M663-I674 HydrophobicContact CE-CD1 3.59Å; M663-I674 HydrophobicContact CE-CG1 3.79Å; I669-I674 HydrophobicContact CD1-CG1 3.96Å; I669-I674 HydrophobicContact CG1-CG1 4.06Å; I669-I674 HydrophobicContact CG2-CD1 4.14Å; I669-I674 HydrophobicContact CG2-CG1 4.06Å; S670-I674 WeakPolarHBondContact O-CG1 3.34Å; S670-I674 PolarHBondContact O-N 3.5Å; H671-I674 PolarHBondContact O-N 3.26Å; I674-Q676 VanDerWaalsContact C-N 3.29Å; I674-Q676 PolarHBondContact O-N 3.29Å; I674-E677 PolarHBondContact O-N 3.31Å; I674-S678 VanDerWaalsContact O-CB 3.24Å; I674-S678 WeakPolarHBondContact O-CB 3.45Å; I674-S678 PolarHBondContact O-N 3.06Å
675A88.3Confident82.5Confident13 Ų1363.9 Ų63.911%0.10733%0.332CS..Hα-helixtrans-62.6-36.217800000112F570 L609 H671 K679F570-A675 HydrophobicContact CD2-CB 3.91Å; F570-A675 HydrophobicContact CE2-CB 3.62Å; F570-A675 HydrophobicContact CZ-CB 4.38Å; L609-A675 HydrophobicContact CD1-CB 4.13Å; H671-A675 WeakPolarHBondContact O-CB 3.16Å; H671-A675 PolarHBondContact O-N 3.06Å; A675-K679 WeakPolarHBondContact O-CB 2.92Å; A675-K679 PolarHBondContact O-N 2.76Å
676Q86.7Confident81.3Confident98 Ų9863.5 Ų63.546%0.45833%0.328SS..Hα-helixtrans-70.1-43.6175.1-75.6-179.647.200113.3D672 A673 I674 S678 K679 R680D672-Q676 WeakPolarHBondContact O-CB 3.44Å; D672-Q676 WeakPolarHBondContact O-CG 3.45Å; D672-Q676 PolarHBondContact O-N 2.78Å; A673-Q676 PolarHBondContact O-N 2.76Å; I674-Q676 VanDerWaalsContact C-N 3.29Å; I674-Q676 PolarHBondContact O-N 3.29Å; Q676-S678 VanDerWaalsContact C-N 3.34Å; Q676-K679 PolarHBondContact O-N 2.99Å; Q676-R680 WeakPolarHBondContact O-CB 3.19Å; Q676-R680 VanDerWaalsContact O-CG 3.27Å; Q676-R680 WeakPolarHBondContact O-CG 3.49Å; Q676-R680 PolarHBondContact O-N 2.98Å; Q676-R680 VanDerWaalsContact OE1-NH2 3.15Å
677E85.9Confident80.2Confident62 Ų6264.6 Ų64.629%0.2935%0.346SS..Hα-helixtrans-65.4-40.6176.6-167.5-178.1137.300110.6V557 F558 A673 I674 R680 Y681V557-E677 HydrophobicContact CB-CB 3.95Å; V557-E677 VanDerWaalsContact CB-CD 3.46Å; V557-E677 HydrophobicContact CB-CG 3.91Å; V557-E677 WeakPolarHBondContact CB-OE1 2.96Å; V557-E677 HydrophobicContact CG1-CB 4.43Å; V557-E677 HydrophobicContact CG2-CB 3.94Å; V557-E677 HydrophobicContact CG2-CG 4.21Å; V557-E677 WeakPolarHBondContact CG2-OE2 3.35Å; V557-E677 PolarHBondContact N-OE1 3.07Å; V557-E677 VanDerWaalsContact N-OE1 3.16Å; F558-E677 PolarHBondContact N-OE1 3.06Å; A673-E677 WeakPolarHBondContact O-CB 3.5Å; A673-E677 PolarHBondContact O-N 2.82Å; I674-E677 PolarHBondContact O-N 3.31Å; E677-R680 PolarHBondContact O-N 2.85Å; E677-Y681 WeakPolarHBondContact O-CB 3.45Å; E677-Y681 PolarHBondContact O-N 3.1Å
678S88Confident78.7Confident2 Ų268.3 Ų68.31%0.01436%0.364CS..Hα-helixtrans-56-50170.6167.80000112.5F568 I674 Q676 R680 Y681 W682F568-S678 PolarHBondContact N-OG 3.49Å; F568-S678 PolarHBondContact O-OG 3.06Å; F568-S678 VanDerWaalsContact O-OG 3.05Å; I674-S678 VanDerWaalsContact O-CB 3.24Å; I674-S678 WeakPolarHBondContact O-CB 3.45Å; I674-S678 PolarHBondContact O-N 3.06Å; Q676-S678 VanDerWaalsContact C-N 3.34Å; S678-R680 PolarHBondContact O-N 3.44Å; S678-Y681 WeakPolarHBondContact O-CB 3.49Å; S678-Y681 PolarHBondContact O-N 2.77Å; S678-W682 PolarHBondContact O-N 3.29Å
679K86.4Confident76.8Confident133 Ų13369.2 Ų69.258%0.57836%0.356SS*.Hα-helixtrans-62.3-43.8177-169.8-176.8175.9-178.10111.8A675 Q676 Y681 W682 Q683A675-K679 WeakPolarHBondContact O-CB 2.92Å; A675-K679 PolarHBondContact O-N 2.76Å; Q676-K679 PolarHBondContact O-N 2.99Å; K679-Y681 VanDerWaalsContact C-N 3.35Å; K679-Y681 PolarHBondContact O-N 2.94Å; K679-W682 PolarHBondContact O-N 3.02Å; K679-Q683 HydrophobicContact CG-CG 4.28Å; K679-Q683 WeakPolarHBondContact O-CB 3.28Å; K679-Q683 VanDerWaalsContact O-CG 3.26Å; K679-Q683 WeakPolarHBondContact O-CG 3.16Å; K679-Q683 PolarHBondContact O-N 2.9Å
680R82.5Confident74.3Confident145 Ų14574.3 Ų74.355%0.54739%0.391SS..Hα-helixtrans-63.5-37.9176.8-71.2173.6-162.4171.29112.2Q676 E677 S678 N684Q676-R680 WeakPolarHBondContact O-CB 3.19Å; Q676-R680 VanDerWaalsContact O-CG 3.27Å; Q676-R680 WeakPolarHBondContact O-CG 3.49Å; Q676-R680 PolarHBondContact O-N 2.98Å; Q676-R680 VanDerWaalsContact OE1-NH2 3.15Å; E677-R680 PolarHBondContact O-N 2.85Å; S678-R680 PolarHBondContact O-N 3.44Å; R680-N684 WeakPolarHBondContact O-CB 3.32Å; R680-N684 PolarHBondContact O-N 3.27Å; R680-N684 PolarHBondContact O-ND2 3.45Å
681Y80.7Confident72Confident45 Ų4575 Ų7518%0.17641%0.408CS..Hα-helixtrans-59.5-50.7176174.3-105.2000111.3F558 L561 E677 S678 K679 N684 L685F558-Y681 AromaticContact CD2-CD2 3.54Å; F558-Y681 HydrophobicContact CD2-CD2 3.54Å; F558-Y681 AromaticContact CD2-CE2 3.7Å; F558-Y681 HydrophobicContact CD2-CE2 3.7Å; F558-Y681 AromaticContact CE2-CD2 3.83Å; F558-Y681 HydrophobicContact CE2-CD2 3.83Å; F558-Y681 AromaticContact CE2-CE2 3.62Å; F558-Y681 HydrophobicContact CE2-CE2 3.62Å; F558-Y681 HydrophobicContact CG-CD2 4.48Å; F558-Y681 HydrophobicContact CZ-CE2 4.41Å; L561-Y681 HydrophobicContact CB-CD1 4.21Å; L561-Y681 HydrophobicContact CB-CE1 4.07Å; L561-Y681 HydrophobicContact CD1-CD1 3.79Å; L561-Y681 HydrophobicContact CD1-CE1 4.49Å; L561-Y681 HydrophobicContact CD1-CG 4.08Å; E677-Y681 WeakPolarHBondContact O-CB 3.45Å; E677-Y681 PolarHBondContact O-N 3.1Å; S678-Y681 WeakPolarHBondContact O-CB 3.49Å; S678-Y681 PolarHBondContact O-N 2.77Å; K679-Y681 VanDerWaalsContact C-N 3.35Å; K679-Y681 PolarHBondContact O-N 2.94Å; Y681-N684 PolarHBondContact O-N 2.83Å; Y681-L685 HydrophobicContact CD1-CD1 4.06Å; Y681-L685 HydrophobicContact CE1-CD1 3.54Å; Y681-L685 HydrophobicContact CE2-CD1 4.1Å; Y681-L685 PolarHBondContact O-N 2.79Å
682W75Confident69.2Low97 Ų9777.4 Ų77.437%0.36743%0.432SS..Hα-helixtrans-67.4-42.8177.8-74.5110000112.8G566 S678 K679 N684 L685 E686G566-W682 VanDerWaalsContact O-CZ2 3.26Å; G566-W682 WeakPolarHBondContact O-CZ2 3.22Å; G566-W682 PolarHBondContact O-NE1 3.28Å; S678-W682 PolarHBondContact O-N 3.29Å; K679-W682 PolarHBondContact O-N 3.02Å; W682-N684 VanDerWaalsContact C-N 3.3Å; W682-N684 PolarHBondContact O-N 3.37Å; W682-L685 HydrophobicContact CE3-CB 4.48Å; W682-L685 HydrophobicContact CE3-CD1 3.98Å; W682-L685 HydrophobicContact CZ3-CD1 4.04Å; W682-L685 WeakPolarHBondContact O-CB 3.18Å; W682-L685 PolarHBondContact O-N 2.8Å; W682-L685 VanDerWaalsContact O-N 3.11Å; W682-E686 WeakPolarHBondContact O-CG 3.38Å; W682-E686 PolarHBondContact O-N 2.99Å
683Q77.6Confident66.5Low89 Ų8984 Ų8442%0.41646%0.461SS..Hα-helixtrans-62.9-33.3174.9-71.9-175.2-64.500113.1K679 A687K679-Q683 HydrophobicContact CG-CG 4.28Å; K679-Q683 WeakPolarHBondContact O-CB 3.28Å; K679-Q683 VanDerWaalsContact O-CG 3.26Å; K679-Q683 WeakPolarHBondContact O-CG 3.16Å; K679-Q683 PolarHBondContact O-N 2.9Å; Q683-A687 WeakPolarHBondContact O-CB 3.37Å; Q683-A687 PolarHBondContact O-N 3.36Å
684N72.4Confident63.8Low100 Ų10088.9 Ų88.954%0.53549%0.486SS..Hα-helixtrans-74.6-31.1174.4-72.3-17.4000112.1R680 Y681 W682 N688R680-N684 WeakPolarHBondContact O-CB 3.32Å; R680-N684 PolarHBondContact O-N 3.27Å; R680-N684 PolarHBondContact O-ND2 3.45Å; Y681-N684 PolarHBondContact O-N 2.83Å; W682-N684 VanDerWaalsContact C-N 3.3Å; W682-N684 PolarHBondContact O-N 3.37Å; N684-N688 WeakPolarHBondContact O-CB 3.46Å; N684-N688 PolarHBondContact O-N 2.79Å; N684-N688 VanDerWaalsContact O-N 3.12Å; N684-N688 PolarHBondContact O-ND2 3.08Å
685L68.1Low60.9Low81 Ų8197 Ų9742%0.42453%0.529SS..Hα-helixtrans-65-44.6169.9-100.7154.4000111.3Y681 W682Y681-L685 HydrophobicContact CD1-CD1 4.06Å; Y681-L685 HydrophobicContact CE1-CD1 3.54Å; Y681-L685 HydrophobicContact CE2-CD1 4.1Å; Y681-L685 PolarHBondContact O-N 2.79Å; W682-L685 HydrophobicContact CE3-CB 4.48Å; W682-L685 HydrophobicContact CE3-CD1 3.98Å; W682-L685 HydrophobicContact CZ3-CD1 4.04Å; W682-L685 WeakPolarHBondContact O-CB 3.18Å; W682-L685 PolarHBondContact O-N 2.8Å; W682-L685 VanDerWaalsContact O-N 3.11Å
686E56.9Low58.2Low81 Ų8198.8 Ų98.838%0.37955%0.548SS..Hα-helixtrans-61.9-48.4173.8-69164.7176.200111.3W682 N688 V689W682-E686 WeakPolarHBondContact O-CG 3.38Å; W682-E686 PolarHBondContact O-N 2.99Å; E686-N688 VanDerWaalsContact C-N 3.33Å; E686-N688 PolarHBondContact O-N 3.43Å; E686-V689 WeakPolarHBondContact O-CB 3.44Å; E686-V689 PolarHBondContact O-N 2.99Å
687A51.6Low55.5Low77 Ų77101.3 Ų101.364%0.63657%0.565SS**Hα-helixtrans-71.8-19.7-17600000114.9Q683 V689Q683-A687 WeakPolarHBondContact O-CB 3.37Å; Q683-A687 PolarHBondContact O-N 3.36Å; A687-V689 PolarHBondContact O-N 3.35Å
688N45.7Very low53Low138 Ų138106.8 Ų106.874%0.73859%0.59SS**THydrogen-bonded Turntrans-79-2.6170.6-83.7-83000113N684 E686N684-N688 WeakPolarHBondContact O-CB 3.46Å; N684-N688 PolarHBondContact O-N 2.79Å; N684-N688 VanDerWaalsContact O-N 3.12Å; N684-N688 PolarHBondContact O-ND2 3.08Å; E686-N688 VanDerWaalsContact C-N 3.33Å; E686-N688 PolarHBondContact O-N 3.43Å
689V39.4Very low50Low87 Ų87113.9 Ų113.953%0.52763%0.625SS.*SBendtrans-96.1116.4165.1-174.30000109E686 A687 G691E686-V689 WeakPolarHBondContact O-CB 3.44Å; E686-V689 PolarHBondContact O-N 2.99Å; A687-V689 PolarHBondContact O-N 3.35Å; V689-G691 PolarHBondContact O-N 3.24Å
690P32.7Very low47.1Very low138 Ų138113.6 Ų113.690%0.89663%0.628SS**SBendtrans-69.891.5-179.3-2134.3000112.6
691G38.4Very low44.7Very low75 Ų75112.5 Ų112.577%0.77364%0.639SS**  trans134.268.6172.100000114.4V689V689-G691 PolarHBondContact O-N 3.24Å
692A32.8Very low42.6Very low74 Ų74112.6 Ų112.661%0.61265%0.654SS**  trans-14396.9171.600000111.3
693Q30.2Very low41Very low195 Ų195114.5 Ų114.591%0.91167%0.665SS**  trans-117.899.8163.6-80.5-167.9-14.700110.1
694V31.5Very low39.8Very low136 Ų136112.2 Ų112.282%0.82466%0.656SS**  trans38.599.3152.5-166.90000117.9
695L28.8Very low39.1Very low172 Ų172113 Ų11390%0.90166%0.66SS**  -136.8145.8114.7-146.177.2000110.3
696G30.5Very low39.1Very low50 Ų50109.6 Ų109.652%0.51564%0.642SS.*  trans-92.4156.9-174.600000113.8
697N31.3Very low39.9Very low150 Ų150111.2 Ų111.280%0.80265%0.647SS**SBendtrans83.4140.1-171.8-54-20.1000113.7
698Q33Very low41.3Very low177 Ų177107.8 Ų107.883%0.82762%0.619SS**  trans67.649-179-51.5-17124.500118M700Q698-M700 PolarHBondContact O-N 3.21Å; Q698-M700 VanDerWaalsContact O-N 3.17Å
699M24.8Very low42.9Very low152 Ų152104.9 Ų104.975%0.74960%0.599SS**  trans-73.4100.8149.2-75.2-168.19300109.3
700M25.9Very low44.9Very low127 Ų127101.7 Ų101.763%0.62658%0.578SS**  trans-78.6147173.9-71.7-70.4-72.400111.2Q698 G702Q698-M700 PolarHBondContact O-N 3.21Å; Q698-M700 VanDerWaalsContact O-N 3.17Å; M700-G702 PolarHBondContact O-N 2.75Å
701P30.5Very low47.2Very low122 Ų12295.2 Ų95.279%0.79254%0.536SS*.SBendtrans-65.2131.7168.1-17.931.6000111.5
702G36.8Very low49.1Very low47 Ų4791.7 Ų91.749%0.48550%0.5SS..  trans79.365.2158.200000117.8M700 Y804M700-G702 PolarHBondContact O-N 2.75Å; G702-Y804 WeakPolarHBondContact O-CE2 3.31Å
703F43.1Very low51.2Low136 Ų13689.1 Ų89.160%0.59648%0.478SS*.  trans-84.7121.5150.3-85.5-73.9000110.1N705F703-N705 PolarHBondContact O-N 3.07Å
704L51.9Low53.5Low42 Ų4282.4 Ų82.422%0.2245%0.447CS..  trans-68.2116.8175.6-61.3-177.4000109.6M706 E800 V801 F816L704-M706 HydrophobicContact CB-CB 4.49Å; L704-M706 HydrophobicContact CB-CE 4.38Å; L704-M706 HydrophobicContact CB-CG 4.02Å; L704-M706 HydrophobicContact CB-SD 4.05Å; L704-M706 HydrophobicContact CD1-SD 4.34Å; L704-M706 HydrophobicContact CD2-CE 4.48Å; L704-M706 PolarHBondContact O-N 2.8Å; L704-E800 HydrophobicContact CD1-CB 4.38Å; L704-E800 HydrophobicContact CD2-CB 3.95Å; L704-V801 HydrophobicContact CD1-CG2 3.83Å; L704-F816 HydrophobicContact CD1-CZ 4.32Å
705N57.5Low55.7Low116 Ų11676.1 Ų76.162%0.6241%0.409SS*.  trans-76.766.6-175.9-157.57.9000111.6F703 I751F703-N705 PolarHBondContact O-N 3.07Å; N705-I751 PolarHBondContact O-N 3.29Å; N705-I751 VanDerWaalsContact OD1-CD1 3.3Å; N705-I751 WeakPolarHBondContact OD1-CD1 3.44Å
706M67.9Low57.9Low9 Ų969.5 Ų69.54%0.04438%0.375CS..EExtended strand (participates in β ladder)trans-141.6148.8-163.1-57.3-172.4-178.900112L704 V748 M749 E797 E800 W820L704-M706 HydrophobicContact CB-CB 4.49Å; L704-M706 HydrophobicContact CB-CE 4.38Å; L704-M706 HydrophobicContact CB-CG 4.02Å; L704-M706 HydrophobicContact CB-SD 4.05Å; L704-M706 HydrophobicContact CD1-SD 4.34Å; L704-M706 HydrophobicContact CD2-CE 4.48Å; L704-M706 PolarHBondContact O-N 2.8Å; M706-V748 HydrophobicContact CB-CG1 3.72Å; M706-V748 HydrophobicContact CG-CG1 4.11Å; M706-V748 HydrophobicContact SD-CG1 3.38Å; M706-V748 WeakPolarHBondContact SD-CG1 3.34Å; M706-M749 VanDerWaalsContact CA-O 3.31Å; M706-M749 WeakPolarHBondContact CA-O 3.26Å; M706-E797 HydrophobicContact CE-CB 4.16Å; M706-E797 HydrophobicContact CE-CG 4.06Å; M706-E797 HydrophobicContact SD-CB 4.21Å; M706-E797 HydrophobicContact SD-CG 4.31Å; M706-E800 HydrophobicContact CE-CB 4.16Å; M706-E800 WeakPolarHBondContact CE-OE2 3.27Å; M706-W820 PolarHBondContact O-NE1 3.37Å
707K74.4Confident59.9Low115 Ų11576.5 Ų76.550%0.539%0.385SS..EExtended strand (participates in β ladder)trans-98.7128.6172.4-61.1-172.9-178.8-178.20109.6V748 M749 W756K707-V748 WeakPolarHBondContact O-CA 3.32Å; K707-M749 HydrophobicContact CB-CE 4.19Å; K707-M749 HydrophobicContact CD-CE 3.98Å; K707-M749 HydrophobicContact CG-CE 4.43Å; K707-M749 PolarHBondContact N-O 2.78Å; K707-M749 PolarHBondContact O-N 3.41Å; K707-W756 HydrophobicContact CB-CH2 4Å; K707-W756 VanDerWaalsContact O-CZ3 3.22Å; K707-W756 WeakPolarHBondContact O-CZ3 3.11Å
708I79.3Confident61.8Low6 Ų675.1 Ų75.13%0.03138%0.378CS..EExtended strand (participates in β ladder)trans-114.7138.7-175.2-49.5-172.7000110.4M746 V748 F816 Y817 W820I708-M746 HydrophobicContact CG2-CE 3.92Å; I708-M746 HydrophobicContact CG2-CG 3.76Å; I708-M746 HydrophobicContact CG2-SD 3.7Å; I708-V748 HydrophobicContact CB-CG2 4.47Å; I708-V748 HydrophobicContact CD1-CG2 4.46Å; I708-V748 HydrophobicContact CG1-CG1 4.42Å; I708-V748 HydrophobicContact CG1-CG2 4.07Å; I708-V748 HydrophobicContact CG2-CG2 4.08Å; I708-F816 HydrophobicContact CD1-CE1 3.68Å; I708-F816 HydrophobicContact CD1-CZ 3.83Å; I708-Y817 HydrophobicContact CB-CD2 4.08Å; I708-Y817 HydrophobicContact CB-CE2 4.1Å; I708-Y817 HydrophobicContact CG2-CD2 3.58Å; I708-Y817 HydrophobicContact CG2-CE2 3.89Å; I708-W820 HydrophobicContact CB-CD2 4.05Å; I708-W820 HydrophobicContact CB-CE3 4.05Å; I708-W820 HydrophobicContact CB-CH2 4.14Å; I708-W820 HydrophobicContact CB-CZ2 4.1Å; I708-W820 HydrophobicContact CB-CZ3 4.11Å; I708-W820 HydrophobicContact CD1-CB 4.29Å; I708-W820 HydrophobicContact CD1-CD2 3.89Å; I708-W820 HydrophobicContact CD1-CG 3.71Å; I708-W820 HydrophobicContact CG1-CD2 3.96Å; I708-W820 HydrophobicContact CG1-CE3 4.48Å; I708-W820 HydrophobicContact CG1-CG 4.29Å; I708-W820 HydrophobicContact CG1-CZ2 4.1Å
709K80.4Confident63.4Low76 Ų7669.8 Ų69.833%0.3337%0.371SS..EExtended strand (participates in β ladder)trans-142.1147.6172.6-74.7-165.9172.4-148.10111.8E723 R747 W756K709-E723 WeakPolarHBondContact CD-OE1 3.3Å; K709-E723 IonicContact NZ-OE1 2.61Å; K709-E723 PolarHBondContact NZ-OE1 2.9Å; K709-E723 IonicContact NZ-OE2 2.83Å; K709-E723 PolarHBondContact NZ-OE2 3.06Å; K709-R747 PolarHBondContact N-O 3Å; K709-R747 PolarHBondContact O-N 3.44Å; K709-W756 HydrophobicContact CB-CH2 4.29Å; K709-W756 HydrophobicContact CB-CZ3 4.1Å; K709-W756 HydrophobicContact CD-CH2 4.02Å; K709-W756 HydrophobicContact CD-CZ2 4.41Å; K709-W756 HydrophobicContact CG-CH2 3.79Å; K709-W756 HydrophobicContact CG-CZ3 4.11Å
710F81.7Confident65.7Low20 Ų2067.9 Ų67.99%0.08836%0.36CS..EExtended strand (participates in β ladder)trans-96.7137.6164.1-84.7-69.6000111.2W739 R744 A745 M746 M813 Y817F710-W739 HydrophobicContact CB-CZ2 4Å; F710-R744 HydrophobicContact CD1-CB 4.06Å; F710-R744 HydrophobicContact CE1-CB 4.41Å; F710-A745 WeakPolarHBondContact CA-O 3.2Å; F710-M746 HydrophobicContact CD1-CB 4.22Å; F710-M746 HydrophobicContact CE1-CB 3.93Å; F710-M746 HydrophobicContact CE1-CE 4.21Å; F710-M746 HydrophobicContact CE2-CE 3.95Å; F710-M746 HydrophobicContact CZ-CE 3.65Å; F710-M813 HydrophobicContact CE1-CB 4.5Å; F710-M813 HydrophobicContact CZ-CB 4.13Å; F710-Y817 AromaticContact CD2-CD1 3.51Å; F710-Y817 HydrophobicContact CD2-CD1 3.51Å; F710-Y817 HydrophobicContact CD2-CD2 4.46Å; F710-Y817 AromaticContact CD2-CE1 3.83Å; F710-Y817 HydrophobicContact CD2-CE1 3.83Å; F710-Y817 AromaticContact CD2-CG 3.85Å; F710-Y817 HydrophobicContact CD2-CG 3.85Å; F710-Y817 AromaticContact CE2-CD1 3.56Å; F710-Y817 HydrophobicContact CE2-CD1 3.56Å; F710-Y817 HydrophobicContact CE2-CD2 4.49Å; F710-Y817 HydrophobicContact CE2-CE1 4.35Å; F710-Y817 AromaticContact CE2-CG 3.63Å; F710-Y817 HydrophobicContact CE2-CG 3.63Å
711V80.5Confident68.1Low2 Ų265.6 Ų65.61%0.01235%0.353CS..EExtended strand (participates in β ladder)trans-131.9160.8177.3-57.50000110.7A713 L716 V721 I722 E723 A745 R747V711-A713 PolarHBondContact O-N 3.22Å; V711-L716 HydrophobicContact CG2-CB 4.5Å; V711-L716 HydrophobicContact CG2-CD1 4.48Å; V711-L716 HydrophobicContact CG2-CD2 3.95Å; V711-V721 HydrophobicContact CG1-CG1 3.91Å; V711-I722 CarbonylContact C-O 3.54Å; V711-I722 VanDerWaalsContact CA-O 3.3Å; V711-I722 WeakPolarHBondContact CA-O 3.04Å; V711-I722 WeakPolarHBondContact CB-O 3.36Å; V711-E723 HydrophobicContact CG1-CG 4.39Å; V711-A745 HydrophobicContact CG2-CB 4.26Å; V711-A745 PolarHBondContact N-O 3.22Å; V711-A745 PolarHBondContact O-N 3.28Å; V711-R747 HydrophobicContact CG2-CG 3.97Å
712C79.1Confident70.3Confident1 Ų161 Ų611%0.00732%0.321CS..EExtended strand (participates in β ladder)trans-68.7118.9176.9-176.10000111.2Q714 C715 L716 I722 C731 W739C712-Q714 PolarHBondContact O-N 2.96Å; C712-C715 HydrophobicContact CB-CB 3.97Å; C712-C715 PolarHBondContact O-N 2.86Å; C712-L716 VanDerWaalsContact O-CB 3.27Å; C712-L716 WeakPolarHBondContact O-CB 3.31Å; C712-L716 PolarHBondContact O-N 2.87Å; C712-I722 PolarHBondContact N-O 3.09Å; C712-C731 HydrophobicContact CB-CB 3.74Å; C712-W739 HydrophobicContact CB-CZ3 3.96Å
713A76.4Confident72.3Confident20 Ų2062.7 Ų62.717%0.16532%0.316CS..Hα-helixtrans-66.2-20.1179.200000113.5V711 R717 R743 A745V711-A713 PolarHBondContact O-N 3.22Å; A713-R717 WeakPolarHBondContact O-CG 3.49Å; A713-R717 PolarHBondContact O-N 3.16Å; A713-R717 PolarHBondContact O-NE 2.92Å; A713-R743 WeakPolarHBondContact CB-O 3.34Å; A713-R743 PolarHBondContact N-O 3.01Å; A713-A745 HydrophobicContact CB-CB 3.99Å
714Q77.3Confident73.9Confident55 Ų5558.1 Ų58.126%0.25730%0.301SS..Hα-helixtrans-80.8-46175.3-168.5163.6-8.300111C712 L716 R717 N718C712-Q714 PolarHBondContact O-N 2.96Å; Q714-L716 VanDerWaalsContact C-N 3.31Å; Q714-L716 PolarHBondContact O-N 2.91Å; Q714-R717 PolarHBondContact O-N 2.82Å; Q714-N718 PolarHBondContact O-N 2.84Å; Q714-N718 PolarHBondContact O-OD1 2.7Å
715C78.6Confident75.1Confident3 Ų359.4 Ų59.42%0.0231%0.308CS..Hα-helixtrans-60.7-40.8170.6-60.10000111.8C712 R717 N718 G719 Q720 I722 H737C712-C715 HydrophobicContact CB-CB 3.97Å; C712-C715 PolarHBondContact O-N 2.86Å; C715-R717 VanDerWaalsContact C-N 3.34Å; C715-R717 PolarHBondContact O-N 3.01Å; C715-N718 CarbonylContact O-C 3.08Å; C715-N718 VanDerWaalsContact O-C 3.24Å; C715-N718 WeakPolarHBondContact O-CA 3.34Å; C715-N718 PolarHBondContact O-N 3.36Å; C715-G719 PolarHBondContact O-N 2.95Å; C715-Q720 CarbonylContact C-O 3.54Å; C715-Q720 HydrophobicContact CB-CB 4.16Å; C715-Q720 WeakPolarHBondContact CB-O 3.44Å; C715-Q720 PolarHBondContact O-N 2.74Å; C715-I722 HydrophobicContact CB-CB 3.99Å; C715-I722 HydrophobicContact CB-CD1 4.11Å; C715-I722 HydrophobicContact CB-CG1 4.14Å; C715-H737 PolarHBondContact SG-ND1 2.86Å
716L75.2Confident75.7Confident34 Ų3463.4 Ų63.418%0.17832%0.319CS..Hα-helixtrans-65.4-33.2-178.8-173.665.1000113V711 C712 Q714 N718 G719 Q720 V721 A745V711-L716 HydrophobicContact CG2-CB 4.5Å; V711-L716 HydrophobicContact CG2-CD1 4.48Å; V711-L716 HydrophobicContact CG2-CD2 3.95Å; C712-L716 VanDerWaalsContact O-CB 3.27Å; C712-L716 WeakPolarHBondContact O-CB 3.31Å; C712-L716 PolarHBondContact O-N 2.87Å; Q714-L716 VanDerWaalsContact C-N 3.31Å; Q714-L716 PolarHBondContact O-N 2.91Å; L716-N718 VanDerWaalsContact C-N 3.27Å; L716-G719 PolarHBondContact O-N 3.09Å; L716-Q720 WeakPolarHBondContact CA-O 3.29Å; L716-Q720 PolarHBondContact N-O 3.2Å; L716-V721 HydrophobicContact CD1-CG2 4.45Å; L716-A745 HydrophobicContact CD2-CB 3.71Å
717R72.4Confident75.7Confident197 Ų19768.9 Ų68.974%0.74335%0.349SS*.Hα-helixtrans-64.6-33.7170.1-84.5-174.8-77.5169.9-6.4112A713 Q714 C715 G719A713-R717 WeakPolarHBondContact O-CG 3.49Å; A713-R717 PolarHBondContact O-N 3.16Å; A713-R717 PolarHBondContact O-NE 2.92Å; Q714-R717 PolarHBondContact O-N 2.82Å; C715-R717 VanDerWaalsContact C-N 3.34Å; C715-R717 PolarHBondContact O-N 3.01Å; R717-G719 PolarHBondContact O-N 3.15Å
718N70.2Confident75.4Confident121 Ų12169.4 Ų69.465%0.64735%0.348SS*.THydrogen-bonded Turntrans-87.820.9174.9-58.416.5000112.1Q714 C715 L716 Q720Q714-N718 PolarHBondContact O-N 2.84Å; Q714-N718 PolarHBondContact O-OD1 2.7Å; C715-N718 CarbonylContact O-C 3.08Å; C715-N718 VanDerWaalsContact O-C 3.24Å; C715-N718 WeakPolarHBondContact O-CA 3.34Å; C715-N718 PolarHBondContact O-N 3.36Å; L716-N718 VanDerWaalsContact C-N 3.27Å; N718-Q720 PolarHBondContact O-N 2.79Å
719G68.3Low75.1Confident65 Ų6576.3 Ų76.367%0.6738%0.378SS*.THydrogen-bonded Turntrans75.6-6.6178.100000116.4C715 L716 R717C715-G719 PolarHBondContact O-N 2.95Å; L716-G719 PolarHBondContact O-N 3.09Å; R717-G719 PolarHBondContact O-N 3.15Å
720Q72.3Confident75Confident111 Ų11178.3 Ų78.352%0.51938%0.384SS..  trans-94.9123.5-172.2-65.2-178.7-3.300112.6C715 L716 N718 I722C715-Q720 CarbonylContact C-O 3.54Å; C715-Q720 HydrophobicContact CB-CB 4.16Å; C715-Q720 WeakPolarHBondContact CB-O 3.44Å; C715-Q720 PolarHBondContact O-N 2.74Å; L716-Q720 WeakPolarHBondContact CA-O 3.29Å; L716-Q720 PolarHBondContact N-O 3.2Å; N718-Q720 PolarHBondContact O-N 2.79Å; Q720-I722 HydrophobicContact CB-CD1 3.95Å; Q720-I722 HydrophobicContact CB-CG1 4.06Å; Q720-I722 PolarHBondContact O-N 2.76Å
721V76.8Confident74.9Confident79 Ų7977.4 Ų77.448%0.47938%0.38SS..  trans-90.489.1-179.1-170.50000109.5V711 L716 R747V711-V721 HydrophobicContact CG1-CG1 3.91Å; L716-V721 HydrophobicContact CD1-CG2 4.45Å; V721-R747 VanDerWaalsContact CG2-NH1 3.26Å
722I77.4Confident74.8Confident27 Ų2781 Ų8114%0.13841%0.406CS..  trans-116.4126.3-171.5-62.1-175.2000111.5V711 C712 C715 Q720 C731 S732 A733V711-I722 CarbonylContact C-O 3.54Å; V711-I722 VanDerWaalsContact CA-O 3.3Å; V711-I722 WeakPolarHBondContact CA-O 3.04Å; V711-I722 WeakPolarHBondContact CB-O 3.36Å; C712-I722 PolarHBondContact N-O 3.09Å; C715-I722 HydrophobicContact CB-CB 3.99Å; C715-I722 HydrophobicContact CB-CD1 4.11Å; C715-I722 HydrophobicContact CB-CG1 4.14Å; Q720-I722 HydrophobicContact CB-CD1 3.95Å; Q720-I722 HydrophobicContact CB-CG1 4.06Å; Q720-I722 PolarHBondContact O-N 2.76Å; I722-C731 HydrophobicContact CG2-CB 4.15Å; I722-S732 WeakPolarHBondContact CG2-OG 3.27Å; I722-A733 HydrophobicContact CD1-CB 3.65Å; I722-A733 HydrophobicContact CG2-CB 4.15Å
723E76.8Confident74.6Confident81 Ų8181.5 Ų81.538%0.37941%0.41SS..PPolyproline II helixtrans-83.9166.5-179-80.7175-133.200112.3K709 V711 S732K709-E723 WeakPolarHBondContact CD-OE1 3.3Å; K709-E723 IonicContact NZ-OE1 2.61Å; K709-E723 PolarHBondContact NZ-OE1 2.9Å; K709-E723 IonicContact NZ-OE2 2.83Å; K709-E723 PolarHBondContact NZ-OE2 3.06Å; V711-E723 HydrophobicContact CG1-CG 4.39Å; E723-S732 PolarHBondContact O-N 3.45Å; E723-S732 PolarHBondContact O-OG 2.91Å; E723-S732 VanDerWaalsContact O-OG 3.04Å
724P78.5Confident74.4Confident41 Ų4191.2 Ų91.227%0.26645%0.448SS..BIsolated β-bridgetrans-67.8152.7175.226.6-32000112.1R728 W739P724-R728 HydrophobicContact CB-CG 4.4Å; P724-W739 HydrophobicContact CB-CD2 3.96Å; P724-W739 HydrophobicContact CB-CE3 4.08Å; P724-W739 HydrophobicContact CB-CH2 3.85Å; P724-W739 HydrophobicContact CB-CZ2 3.7Å; P724-W739 HydrophobicContact CB-CZ3 4.02Å; P724-W739 VanDerWaalsContact CD-CH2 3.48Å; P724-W739 HydrophobicContact CG-CH2 4Å; P724-W739 HydrophobicContact CG-CZ2 3.77Å
725D75.2Confident74.1Confident69 Ų6992 Ų9237%0.36946%0.464SS..PPolyproline II helixtrans-65.4160.4162.517935.2000110.9N727 R728 Y730D725-N727 PolarHBondContact O-N 3.04Å; D725-R728 PolarHBondContact O-N 3.38Å; D725-Y730 WeakPolarHBondContact CB-O 3.47Å; D725-Y730 PolarHBondContact N-O 3.08Å
726K70.2Confident73.9Confident199 Ų199100.6 Ų100.687%0.86550%0.496SS*.THydrogen-bonded Turntrans-49-38.2-176.5-67.3-177.3178.4-179.60112.9R728K726-R728 VanDerWaalsContact C-N 3.33Å; K726-R728 PolarHBondContact O-N 3.23Å
727N68Low74.1Confident124 Ų124100.6 Ų100.666%0.66350%0.495SS*.THydrogen-bonded Turntrans-85.71.7-177.4-65.7-8.5000114D725 K729D725-N727 PolarHBondContact O-N 3.04Å; N727-K729 PolarHBondContact O-N 3.35Å
728R68.4Low74.1Confident127 Ų12793.4 Ų93.448%0.47948%0.475SS..SBendtrans51.417.5-178.8-61.9-173.6176.9-1690.8116.4P724 D725 K726 W739P724-R728 HydrophobicContact CB-CG 4.4Å; D725-R728 PolarHBondContact O-N 3.38Å; K726-R728 VanDerWaalsContact C-N 3.33Å; K726-R728 PolarHBondContact O-N 3.23Å; R728-W739 VanDerWaalsContact O-CB 3.3Å; R728-W739 WeakPolarHBondContact O-CB 3.04Å
729K72.6Confident74.4Confident151 Ų15188.4 Ų88.466%0.65745%0.447SS*.SBendtrans-86.4-30176.1-66-172.9-179.3-176.50113.1N727 W739N727-K729 PolarHBondContact O-N 3.35Å; K729-W739 WeakPolarHBondContact O-CB 3.12Å; K729-W739 PolarHBondContact O-N 2.94Å
730Y79.2Confident74.5Confident117 Ų11788.2 Ų88.246%0.45943%0.433SS..BIsolated β-bridgetrans-138.1160.4-177.5-53.5-75.5000110.9D725 R736 H737D725-Y730 WeakPolarHBondContact CB-O 3.47Å; D725-Y730 PolarHBondContact N-O 3.08Å; Y730-R736 VanDerWaalsContact CD1-O 3.26Å; Y730-R736 WeakPolarHBondContact CD1-O 3.23Å; Y730-H737 CarbonylContact C-O 3.43Å; Y730-H737 VanDerWaalsContact CA-O 3.25Å; Y730-H737 WeakPolarHBondContact CA-O 3.2Å
731C80.6Confident74.2Confident1 Ų188.8 Ų88.81%0.00743%0.433CS..BIsolated β-bridgetrans-77.6154.1166.371.50000111.6C712 I722 A733 H737 W739C712-C731 HydrophobicContact CB-CB 3.74Å; I722-C731 HydrophobicContact CG2-CB 4.15Å; C731-A733 PolarHBondContact O-N 3.31Å; C731-H737 PolarHBondContact N-O 3.47Å; C731-H737 PolarHBondContact SG-N 3.41Å; C731-W739 HydrophobicContact CB-CE3 4Å; C731-W739 HydrophobicContact CB-CZ3 3.95Å
732S76.6Confident73.6Confident79 Ų7991.9 Ų91.955%0.55245%0.447SS*.SBendtrans-74.510.5-179.658.90000115.6I722 E723I722-S732 WeakPolarHBondContact CG2-OG 3.27Å; E723-S732 PolarHBondContact O-N 3.45Å; E723-S732 PolarHBondContact O-OG 2.91Å; E723-S732 VanDerWaalsContact O-OG 3.04Å
733A76.4Confident73.3Confident11 Ų1195.4 Ų95.49%0.09146%0.459CS..SBendtrans-68154.417300000111.9I722 C731 A735 R736I722-A733 HydrophobicContact CD1-CB 3.65Å; I722-A733 HydrophobicContact CG2-CB 4.15Å; C731-A733 PolarHBondContact O-N 3.31Å; A733-A735 PolarHBondContact O-N 3.23Å; A733-A735 VanDerWaalsContact O-N 3.12Å; A733-R736 PolarHBondContact O-N 3.49Å
734K72.1Confident73.2Confident223 Ų22394.4 Ų94.497%0.9745%0.452SS*.THydrogen-bonded Turntrans-51-36.4170.1-68.8-173.6177.2-176.80112.5R736K734-R736 PolarHBondContact O-N 3.49Å
735A71.5Confident73.1Confident72 Ų7293.5 Ų93.560%0.59545%0.447SS*.THydrogen-bonded Turntrans-80.5-2.117900000115.6A733 H737A733-A735 PolarHBondContact O-N 3.23Å; A733-A735 VanDerWaalsContact O-N 3.12Å; A735-H737 PolarHBondContact O-N 2.94Å; A735-H737 VanDerWaalsContact O-N 3.09Å
736R74.3Confident73.3Confident183 Ų18390.4 Ų90.469%0.69143%0.431SS*.  trans41.149.7173-65.8-174.1170.5-172.7-2.3115.8Y730 A733 K734 S738Y730-R736 VanDerWaalsContact CD1-O 3.26Å; Y730-R736 WeakPolarHBondContact CD1-O 3.23Å; A733-R736 PolarHBondContact O-N 3.49Å; K734-R736 PolarHBondContact O-N 3.49Å; R736-S738 PolarHBondContact O-N 2.94Å
737H77.4Confident73.7Confident35 Ų3583 Ų8316%0.16240%0.397CS..  trans-54.8139.8176.9-53.1121000112.3C715 Y730 C731 A735C715-H737 PolarHBondContact SG-ND1 2.86Å; Y730-H737 CarbonylContact C-O 3.43Å; Y730-H737 VanDerWaalsContact CA-O 3.25Å; Y730-H737 WeakPolarHBondContact CA-O 3.2Å; C731-H737 PolarHBondContact N-O 3.47Å; C731-H737 PolarHBondContact SG-N 3.41Å; A735-H737 PolarHBondContact O-N 2.94Å; A735-H737 VanDerWaalsContact O-N 3.09Å
738S73.1Confident74.1Confident45 Ų4577 Ų7732%0.31537%0.366SS..BIsolated β-bridgetrans-64.2136178.352.50000112.4R736 T740R736-S738 PolarHBondContact O-N 2.94Å; S738-T740 VanDerWaalsContact C-N 3.27Å; S738-T740 PolarHBondContact O-N 2.79Å; S738-T740 VanDerWaalsContact O-N 3.08Å
739W76Confident74.3Confident17 Ų1772.5 Ų72.56%0.06435%0.35CS..  trans-88.751.1-171.9-163-102.1000112.6F710 C712 P724 R728 K729 C731 R744F710-W739 HydrophobicContact CB-CZ2 4Å; C712-W739 HydrophobicContact CB-CZ3 3.96Å; P724-W739 HydrophobicContact CB-CD2 3.96Å; P724-W739 HydrophobicContact CB-CE3 4.08Å; P724-W739 HydrophobicContact CB-CH2 3.85Å; P724-W739 HydrophobicContact CB-CZ2 3.7Å; P724-W739 HydrophobicContact CB-CZ3 4.02Å; P724-W739 VanDerWaalsContact CD-CH2 3.48Å; P724-W739 HydrophobicContact CG-CH2 4Å; P724-W739 HydrophobicContact CG-CZ2 3.77Å; R728-W739 VanDerWaalsContact O-CB 3.3Å; R728-W739 WeakPolarHBondContact O-CB 3.04Å; K729-W739 WeakPolarHBondContact O-CB 3.12Å; K729-W739 PolarHBondContact O-N 2.94Å; C731-W739 HydrophobicContact CB-CE3 4Å; C731-W739 HydrophobicContact CB-CZ3 3.95Å; W739-R744 HydrophobicContact CD2-CG 4.16Å; W739-R744 HydrophobicContact CG-CG 4.45Å; W739-R744 HydrophobicContact CZ2-CG 4.07Å; W739-R744 VanDerWaalsContact O-CZ 3.3Å; W739-R744 PolarHBondContact O-NE 3.41Å; W739-R744 PolarHBondContact O-NH2 2.83Å
740T71.5Confident74Confident60 Ų6065.6 Ų65.637%0.36832%0.321SS..  trans-78.9161.7177.865.50000112.1S738 D742 R743 R744S738-T740 VanDerWaalsContact C-N 3.27Å; S738-T740 PolarHBondContact O-N 2.79Å; S738-T740 VanDerWaalsContact O-N 3.08Å; T740-D742 VanDerWaalsContact C-N 3.28Å; T740-D742 PolarHBondContact O-N 3.33Å; T740-R743 PolarHBondContact O-N 3.06Å; T740-R744 WeakPolarHBondContact O-CG 3.34Å
741K66.2Low73Confident123 Ų12363.8 Ų63.854%0.53532%0.318SS..G310 helixtrans-52.4-44.6-174.9-173.3164.6175.3170.30112.6R743 R744 D812K741-R743 PolarHBondContact O-N 3.21Å; K741-R744 PolarHBondContact O-N 2.85Å; K741-D812 WeakPolarHBondContact CE-OD2 3.35Å; K741-D812 VanDerWaalsContact NZ-CG 3.33Å; K741-D812 IonicContact NZ-OD1 3.19Å; K741-D812 IonicContact NZ-OD2 3.92Å; K741-D812 PolarHBondContact NZ-OD2 3.07Å
742D64.1Low71.8Confident144 Ų14471.1 Ų71.177%0.7735%0.353SS*.G310 helixtrans-76.5-8.1-177.3-33.8-80.7000113.8T740T740-D742 VanDerWaalsContact C-N 3.28Å; T740-D742 PolarHBondContact O-N 3.33Å
743R69.8Low71Confident101 Ų10173.2 Ų73.238%0.38135%0.348SS..G310 helixtrans-106.79.1178.7-62.9-171.8-170.6-136.411.5113.2A713 T740 K741A713-R743 WeakPolarHBondContact CB-O 3.34Å; A713-R743 PolarHBondContact N-O 3.01Å; T740-R743 PolarHBondContact O-N 3.06Å; K741-R743 PolarHBondContact O-N 3.21Å
744R75.3Confident70.6Confident61 Ų6180.8 Ų80.823%0.2338%0.379CS..EExtended strand (participates in β ladder)trans-106.1144175.6-60.5166.9-162.1169.86.2110.4F710 W739 T740 K741 E814F710-R744 HydrophobicContact CD1-CB 4.06Å; F710-R744 HydrophobicContact CE1-CB 4.41Å; W739-R744 HydrophobicContact CD2-CG 4.16Å; W739-R744 HydrophobicContact CG-CG 4.45Å; W739-R744 HydrophobicContact CZ2-CG 4.07Å; W739-R744 VanDerWaalsContact O-CZ 3.3Å; W739-R744 PolarHBondContact O-NE 3.41Å; W739-R744 PolarHBondContact O-NH2 2.83Å; T740-R744 WeakPolarHBondContact O-CG 3.34Å; K741-R744 PolarHBondContact O-N 2.85Å; R744-E814 IonicContact CZ-OE1 2.81Å; R744-E814 IonicContact CZ-OE2 2.77Å; R744-E814 IonicContact NH1-OE1 3.92Å; R744-E814 PolarHBondContact NH1-OE1 3.37Å; R744-E814 IonicContact NH1-OE2 2.78Å; R744-E814 PolarHBondContact NH1-OE2 3Å
745A76.6Confident70.7Confident21 Ų2176.8 Ų76.817%0.17436%0.362CS..EExtended strand (participates in β ladder)trans-128.7135.617100000109.7F710 V711 A713 L716F710-A745 WeakPolarHBondContact CA-O 3.2Å; V711-A745 HydrophobicContact CG2-CB 4.26Å; V711-A745 PolarHBondContact N-O 3.22Å; V711-A745 PolarHBondContact O-N 3.28Å; A713-A745 HydrophobicContact CB-CB 3.99Å; L716-A745 HydrophobicContact CD2-CB 3.71Å
746M80Confident70.9Confident4 Ų477 Ų772%0.0235%0.348CS..EExtended strand (participates in β ladder)trans-84.7133173.5-175.6175.8-75.900109.9I708 F710 V748 I759 M813 F816I708-M746 HydrophobicContact CG2-CE 3.92Å; I708-M746 HydrophobicContact CG2-CG 3.76Å; I708-M746 HydrophobicContact CG2-SD 3.7Å; F710-M746 HydrophobicContact CD1-CB 4.22Å; F710-M746 HydrophobicContact CE1-CB 3.93Å; F710-M746 HydrophobicContact CE1-CE 4.21Å; F710-M746 HydrophobicContact CE2-CE 3.95Å; F710-M746 HydrophobicContact CZ-CE 3.65Å; M746-V748 HydrophobicContact CG-CG2 3.99Å; M746-V748 HydrophobicContact SD-CG2 4.03Å; M746-I759 PolarHBondContact O-N 3.47Å; M746-M813 HydrophobicContact CB-CE 4.36Å; M746-M813 HydrophobicContact CE-CB 4.19Å; M746-M813 HydrophobicContact CE-CE 4.08Å; M746-M813 VanDerWaalsContact CE-O 3.25Å; M746-M813 WeakPolarHBondContact CE-O 3.18Å; M746-M813 HydrophobicContact SD-CE 3.57Å; M746-M813 VanDerWaalsContact SD-CE 3.57Å; M746-F816 HydrophobicContact CE-CD1 4.01Å; M746-F816 HydrophobicContact SD-CD1 4.05Å; M746-F816 HydrophobicContact SD-CE1 4.13Å
747R77.8Confident71.1Confident43 Ų4370.8 Ų70.816%0.16233%0.327CS..EExtended strand (participates in β ladder)trans-116.1139.9165.6-56.6-167.177.6-174.44.2109.9K709 V711 V721 W756 M757 N758K709-R747 PolarHBondContact N-O 3Å; K709-R747 PolarHBondContact O-N 3.44Å; V711-R747 HydrophobicContact CG2-CG 3.97Å; V721-R747 VanDerWaalsContact CG2-NH1 3.26Å; R747-W756 HydrophobicContact CB-CE3 3.83Å; R747-W756 HydrophobicContact CB-CZ3 4.49Å; R747-W756 PolarHBondContact NH2-O 2.86Å; R747-M757 CarbonylContact C-O 3.24Å; R747-M757 WeakPolarHBondContact CA-O 3.12Å; R747-N758 WeakPolarHBondContact CD-OD1 3.5Å; R747-N758 PolarHBondContact NE-OD1 3.22Å
748V77.1Confident71.2Confident0 Ų073 Ų730%034%0.34CS..EExtended strand (participates in β ladder)trans-129.7138.7-179.1179.20000108.7M706 K707 I708 M746 M757 I759 E797 V801M706-V748 HydrophobicContact CB-CG1 3.72Å; M706-V748 HydrophobicContact CG-CG1 4.11Å; M706-V748 HydrophobicContact SD-CG1 3.38Å; M706-V748 WeakPolarHBondContact SD-CG1 3.34Å; K707-V748 WeakPolarHBondContact O-CA 3.32Å; I708-V748 HydrophobicContact CB-CG2 4.47Å; I708-V748 HydrophobicContact CD1-CG2 4.46Å; I708-V748 HydrophobicContact CG1-CG1 4.42Å; I708-V748 HydrophobicContact CG1-CG2 4.07Å; I708-V748 HydrophobicContact CG2-CG2 4.08Å; M746-V748 HydrophobicContact CG-CG2 3.99Å; M746-V748 HydrophobicContact SD-CG2 4.03Å; V748-M757 PolarHBondContact N-O 2.79Å; V748-M757 PolarHBondContact O-N 2.92Å; V748-I759 HydrophobicContact CB-CD1 4.11Å; V748-I759 HydrophobicContact CB-CG1 3.76Å; V748-I759 HydrophobicContact CG2-CD1 4.32Å; V748-I759 HydrophobicContact CG2-CG1 3.46Å; V748-I759 VanDerWaalsContact CG2-CG1 3.46Å; V748-E797 HydrophobicContact CG1-CB 4.49Å; V748-V801 HydrophobicContact CG2-CG2 4.34Å
749M71.6Confident71.6Confident31 Ų3171.4 Ų71.415%0.15333%0.328CS..EExtended strand (participates in β ladder)trans-124.1112.8177.3175.8173.267.300109.6M706 K707 K754 W756M706-M749 VanDerWaalsContact CA-O 3.31Å; M706-M749 WeakPolarHBondContact CA-O 3.26Å; K707-M749 HydrophobicContact CB-CE 4.19Å; K707-M749 HydrophobicContact CD-CE 3.98Å; K707-M749 HydrophobicContact CG-CE 4.43Å; K707-M749 PolarHBondContact N-O 2.78Å; K707-M749 PolarHBondContact O-N 3.41Å; M749-K754 VanDerWaalsContact SD-C 3.54Å; M749-W756 HydrophobicContact CB-CD2 3.7Å; M749-W756 HydrophobicContact CB-CE3 3.71Å; M749-W756 HydrophobicContact CB-CG 4.21Å; M749-W756 HydrophobicContact CB-CH2 4.26Å; M749-W756 HydrophobicContact CB-CZ2 4.25Å; M749-W756 HydrophobicContact CB-CZ3 4Å; M749-W756 HydrophobicContact CE-CH2 4.39Å; M749-W756 HydrophobicContact CE-CZ2 3.7Å; M749-W756 HydrophobicContact SD-CD2 4.34Å; M749-W756 HydrophobicContact SD-CG 4.43Å; M749-W756 HydrophobicContact SD-CZ2 4.28Å
750S66Low72Confident7 Ų772.8 Ų72.85%0.04933%0.333CS..EExtended strand (participates in β ladder)trans-63.2136.9164.11660000110E752 R753 K754S750-E752 PolarHBondContact O-N 3.2Å; S750-E752 WeakPolarHBondContact OG-CB 3.05Å; S750-E752 PolarHBondContact OG-N 2.75Å; S750-R753 PolarHBondContact O-N 2.71Å; S750-K754 PolarHBondContact O-N 3.01Å
751I60Low72.2Confident78 Ų7874.5 Ų74.540%0.435%0.345SS..THydrogen-bonded Turntrans-65.1-29.9176.9-74.1169.9000111.6N705 K754N705-I751 PolarHBondContact O-N 3.29Å; N705-I751 VanDerWaalsContact OD1-CD1 3.3Å; N705-I751 WeakPolarHBondContact OD1-CD1 3.44Å; I751-K754 WeakPolarHBondContact O-CG 3.24Å
752E53.6Low72.6Confident155 Ų15569.9 Ų69.972%0.72433%0.326SS*.THydrogen-bonded Turntrans-63.7-48.2175.3-53.7176.5153.200111.8S750S750-E752 PolarHBondContact O-N 3.2Å; S750-E752 WeakPolarHBondContact OG-CB 3.05Å; S750-E752 PolarHBondContact OG-N 2.75Å
753R59.8Low73Confident123 Ų12364.4 Ų64.446%0.46430%0.298SS..THydrogen-bonded Turntrans-92.5-15.5-171-60.8-166.9-176.977.225.1113.9S750 K755 E797S750-R753 PolarHBondContact O-N 2.71Å; R753-K755 PolarHBondContact O-N 3.29Å; R753-E797 WeakPolarHBondContact CD-OE1 3.49Å; R753-E797 IonicContact CZ-OE1 2.85Å; R753-E797 IonicContact NE-OE1 3.88Å; R753-E797 IonicContact NH1-OE1 3.62Å; R753-E797 PolarHBondContact NH1-OE1 3.1Å
754K69.3Low72.5Confident170 Ų17066.8 Ų66.874%0.73932%0.324SS*.  trans49.224.7-179-58.5-179.1-177.7174.50114.2M749 S750 I751M749-K754 VanDerWaalsContact SD-C 3.54Å; S750-K754 PolarHBondContact O-N 3.01Å; I751-K754 WeakPolarHBondContact O-CG 3.24Å
755K74.8Confident71.7Confident139 Ų13970 Ų7060%0.60434%0.34SS*.  trans-122.4130.7-173.6-174.9175.7-178.6175.90110R753 M757R753-K755 PolarHBondContact O-N 3.29Å; K755-M757 HydrophobicContact CD-SD 4.16Å; K755-M757 HydrophobicContact CG-SD 4.15Å; K755-M757 PolarHBondContact O-N 3.33Å
756W74.8Confident70.5Confident78 Ų7879.7 Ų79.730%0.29538%0.378SS..EExtended strand (participates in β ladder)trans-78.3112.5177.2-69.196.5000111.3K707 K709 R747 M749K707-W756 HydrophobicContact CB-CH2 4Å; K707-W756 VanDerWaalsContact O-CZ3 3.22Å; K707-W756 WeakPolarHBondContact O-CZ3 3.11Å; K709-W756 HydrophobicContact CB-CH2 4.29Å; K709-W756 HydrophobicContact CB-CZ3 4.1Å; K709-W756 HydrophobicContact CD-CH2 4.02Å; K709-W756 HydrophobicContact CD-CZ2 4.41Å; K709-W756 HydrophobicContact CG-CH2 3.79Å; K709-W756 HydrophobicContact CG-CZ3 4.11Å; R747-W756 HydrophobicContact CB-CE3 3.83Å; R747-W756 HydrophobicContact CB-CZ3 4.49Å; R747-W756 PolarHBondContact NH2-O 2.86Å; M749-W756 HydrophobicContact CB-CD2 3.7Å; M749-W756 HydrophobicContact CB-CE3 3.71Å; M749-W756 HydrophobicContact CB-CG 4.21Å; M749-W756 HydrophobicContact CB-CH2 4.26Å; M749-W756 HydrophobicContact CB-CZ2 4.25Å; M749-W756 HydrophobicContact CB-CZ3 4Å; M749-W756 HydrophobicContact CE-CH2 4.39Å; M749-W756 HydrophobicContact CE-CZ2 3.7Å; M749-W756 HydrophobicContact SD-CD2 4.34Å; M749-W756 HydrophobicContact SD-CG 4.43Å; M749-W756 HydrophobicContact SD-CZ2 4.28Å
757M78.6Confident69Low51 Ų5187.9 Ų87.925%0.25142%0.416SS..EExtended strand (participates in β ladder)trans-96.7146.7173.5-58.5-54.4-73.200110.1R747 V748 K755 I759R747-M757 CarbonylContact C-O 3.24Å; R747-M757 WeakPolarHBondContact CA-O 3.12Å; V748-M757 PolarHBondContact N-O 2.79Å; V748-M757 PolarHBondContact O-N 2.92Å; K755-M757 HydrophobicContact CD-SD 4.16Å; K755-M757 HydrophobicContact CG-SD 4.15Å; K755-M757 PolarHBondContact O-N 3.33Å; M757-I759 HydrophobicContact CB-CD1 4.42Å
758N79.4Confident67.9Low83 Ų8389.9 Ų89.944%0.44443%0.429SS..EExtended strand (participates in β ladder)trans-89.3127.6175.8-62.3-7.4000108.3R747R747-N758 WeakPolarHBondContact CD-OD1 3.5Å; R747-N758 PolarHBondContact NE-OD1 3.22Å
759I81.9Confident67.1Low11 Ų1192.6 Ų92.66%0.05645%0.446CS..EExtended strand (participates in β ladder)trans-104.7126.3-178.9-50.2-50000108.9M746 V748 M757 E797 E798 V801 M813M746-I759 PolarHBondContact O-N 3.47Å; V748-I759 HydrophobicContact CB-CD1 4.11Å; V748-I759 HydrophobicContact CB-CG1 3.76Å; V748-I759 HydrophobicContact CG2-CD1 4.32Å; V748-I759 HydrophobicContact CG2-CG1 3.46Å; V748-I759 VanDerWaalsContact CG2-CG1 3.46Å; M757-I759 HydrophobicContact CB-CD1 4.42Å; I759-E797 HydrophobicContact CD1-CB 4.31Å; I759-E798 HydrophobicContact CD1-CB 3.94Å; I759-E798 HydrophobicContact CG2-CG 4.23Å; I759-V801 HydrophobicContact CG2-CB 4.22Å; I759-V801 HydrophobicContact CG2-CG1 3.97Å; I759-M813 HydrophobicContact CG2-CE 3.95Å
760R83.9Confident66.3Low46 Ų4699.1 Ų99.117%0.17448%0.481CS..PPolyproline II helixtrans-84.6158.8176.2-62.1171.8-67.1146.8-6111.3C790 F792 E798 W802R760-C790 PolarHBondContact NH1-O 3.48Å; R760-F792 PolarHBondContact NH2-O 3.4Å; R760-E798 VanDerWaalsContact CB-OE1 3.25Å; R760-E798 WeakPolarHBondContact CB-OE1 3.43Å; R760-E798 VanDerWaalsContact CG-OE1 3.3Å; R760-E798 WeakPolarHBondContact CG-OE1 3.46Å; R760-E798 IonicContact CZ-OE1 3.08Å; R760-E798 IonicContact CZ-OE2 3.13Å; R760-E798 PolarHBondContact N-OE1 2.88Å; R760-E798 IonicContact NE-OE1 3.21Å; R760-E798 PolarHBondContact NE-OE1 2.81Å; R760-E798 IonicContact NE-OE2 2.87Å; R760-E798 PolarHBondContact NE-OE2 2.73Å; R760-E798 IonicContact NH2-OE1 3.65Å; R760-E798 IonicContact NH2-OE2 2.66Å; R760-E798 PolarHBondContact NH2-OE2 2.79Å; R760-W802 HydrophobicContact CB-CZ2 4.19Å; R760-W802 PolarHBondContact O-NE1 3.08Å
761P75.3Confident65.9Low96 Ų96104.9 Ų104.962%0.62351%0.507SS*.PPolyproline II helixtrans-57158.1167.7-23.334.7000113
762L74.7Confident66.7Low26 Ų26101.3 Ų101.314%0.13649%0.489CS..PPolyproline II helixtrans-63.4133.5-179.5-150.673.1000111.3T764 M768 F772 W802 M805L762-T764 PolarHBondContact O-N 3.49Å; L762-M768 HydrophobicContact CD2-CE 3.61Å; L762-M768 HydrophobicContact CD2-SD 4.16Å; L762-M768 HydrophobicContact CG-CE 4.5Å; L762-F772 HydrophobicContact CD1-CE2 4.36Å; L762-F772 HydrophobicContact CD1-CZ 3.93Å; L762-F772 HydrophobicContact CG-CZ 4.41Å; L762-W802 HydrophobicContact CD1-CB 3.64Å; L762-W802 HydrophobicContact CD1-CD2 4.4Å; L762-W802 HydrophobicContact CD1-CG 3.68Å; L762-M805 HydrophobicContact CD1-CB 4.45Å
763P72.6Confident67.9Low28 Ų2898.6 Ų98.618%0.18248%0.479CS..PPolyproline II helixtrans-65.4122.3-177.1-24.434.9000114.1K765 W802P763-K765 VanDerWaalsContact C-N 3.28Å; P763-K765 PolarHBondContact O-N 3.19Å; P763-W802 HydrophobicContact CG-CE3 4.36Å; P763-W802 HydrophobicContact CG-CH2 3.45Å; P763-W802 VanDerWaalsContact CG-CH2 3.45Å; P763-W802 HydrophobicContact CG-CZ2 3.91Å; P763-W802 HydrophobicContact CG-CZ3 3.72Å
764T60.2Low68.9Low152 Ų15295.5 Ų95.593%0.93347%0.471SS*.  trans-7858.9-175.143.30000114.4L762L762-T764 PolarHBondContact O-N 3.49Å
765K58.6Low69.4Low129 Ų12987.6 Ų87.656%0.56144%0.438SS*.  trans-93.3142.6175-84.4179.9164.4171.90112.7P763 Q767 S791P763-K765 VanDerWaalsContact C-N 3.28Å; P763-K765 PolarHBondContact O-N 3.19Å; K765-Q767 PolarHBondContact O-N 3.25Å; K765-Q767 VanDerWaalsContact O-N 3.1Å; K765-S791 VanDerWaalsContact CE-OG 3.24Å; K765-S791 WeakPolarHBondContact CE-OG 3.44Å; K765-S791 PolarHBondContact NZ-OG 3.46Å
766K50.3Low69.4Low223 Ų22387.3 Ų87.397%0.9744%0.442SS*.SBendtrans-61.1-16.7179.3-74.7-170.9174.9-176.20115
767Q47.8Very low69.5Low176 Ų17687 Ų8782%0.82244%0.444SS*.SBendtrans-132.2124.9167.1-72.7-178.3-19.600107.9K765K765-Q767 PolarHBondContact O-N 3.25Å; K765-Q767 VanDerWaalsContact O-N 3.1Å
768M54.8Low69.4Low86 Ų8687.6 Ų87.642%0.42445%0.448SS..  trans-81.2130.6178.8-16579.97800109.1L762 F772 K806L762-M768 HydrophobicContact CD2-CE 3.61Å; L762-M768 HydrophobicContact CD2-SD 4.16Å; L762-M768 HydrophobicContact CG-CE 4.5Å; M768-F772 HydrophobicContact CG-CZ 4.38Å; M768-F772 HydrophobicContact SD-CE1 4.5Å; M768-F772 HydrophobicContact SD-CZ 3.87Å; M768-K806 HydrophobicContact CG-CD 3.76Å; M768-K806 HydrophobicContact CG-CG 3.98Å
769P60.3Low69.2Low56 Ų5687.2 Ų87.236%0.36446%0.457SS..  trans-64.5153.1177.929.3-36000111.3Q771 F772 K806P769-Q771 VanDerWaalsContact C-N 3.35Å; P769-Q771 WeakPolarHBondContact CB-O 3.49Å; P769-Q771 PolarHBondContact O-N 3.06Å; P769-F772 HydrophobicContact CG-CD1 3.98Å; P769-F772 HydrophobicContact CG-CE1 3.84Å; P769-F772 HydrophobicContact CG-CZ 4.45Å; P769-K806 PolarHBondContact O-NZ 3.17Å
770L56.4Low68.9Low168 Ų16890.1 Ų90.188%0.8848%0.477SS*.SBendtrans-64.2-39.8-179.2-77.1170.1000112K806L770-K806 VanDerWaalsContact C-NZ 3.32Å; L770-K806 PolarHBondContact O-NZ 3.42Å
771Q55.8Low68.3Low129 Ų12991.5 Ų91.560%0.60351%0.506SS*.SBendtrans-133155.8173.6-170.3170.915.600109P769P769-Q771 VanDerWaalsContact C-N 3.35Å; P769-Q771 WeakPolarHBondContact CB-O 3.49Å; P769-Q771 PolarHBondContact O-N 3.06Å
772F77.1Confident68.3Low3 Ų393.6 Ų93.61%0.01351%0.506CS..  trans-96.5115.5174-68.5-80.1000110.8L762 M768 P769 R799 W802 K806L762-F772 HydrophobicContact CD1-CE2 4.36Å; L762-F772 HydrophobicContact CD1-CZ 3.93Å; L762-F772 HydrophobicContact CG-CZ 4.41Å; M768-F772 HydrophobicContact CG-CZ 4.38Å; M768-F772 HydrophobicContact SD-CE1 4.5Å; M768-F772 HydrophobicContact SD-CZ 3.87Å; P769-F772 HydrophobicContact CG-CD1 3.98Å; P769-F772 HydrophobicContact CG-CE1 3.84Å; P769-F772 HydrophobicContact CG-CZ 4.45Å; F772-R799 HydrophobicContact CB-CG 4.25Å; F772-R799 WeakPolarHBondContact O-CD 3.49Å; F772-R799 WeakPolarHBondContact O-CG 3.39Å; F772-W802 HydrophobicContact CB-CE3 4.33Å; F772-W802 HydrophobicContact CD1-CB 4.42Å; F772-W802 HydrophobicContact CD1-CD2 4.44Å; F772-W802 AromaticContact CD1-CE3 3.52Å; F772-W802 HydrophobicContact CD1-CE3 3.52Å; F772-W802 HydrophobicContact CD1-CZ3 4.12Å; F772-W802 HydrophobicContact CD2-CB 3.72Å; F772-W802 HydrophobicContact CE1-CB 4.46Å; F772-W802 AromaticContact CE1-CE3 3.92Å; F772-W802 HydrophobicContact CE1-CE3 3.92Å; F772-W802 HydrophobicContact CE2-CB 3.79Å; F772-W802 WeakPolarHBondContact CE2-O 3.35Å; F772-W802 HydrophobicContact CG-CB 4.05Å; F772-W802 AromaticContact CG-CE3 3.97Å; F772-W802 HydrophobicContact CG-CE3 3.97Å; F772-W802 HydrophobicContact CZ-CB 4.16Å; F772-K806 HydrophobicContact CE2-CB 4.04Å; F772-K806 HydrophobicContact CE2-CD 4.03Å
773D79Confident68.3Low97 Ų97101.8 Ų101.852%0.51954%0.54SS..  trans-85.6156.4176-68.3-52.8000112.9F792 A793D773-F792 HydrophobicContact CB-CD1 3.98Å; D773-F792 HydrophobicContact CB-CE1 4.33Å; D773-F792 WeakPolarHBondContact O-CA 3.49Å; D773-A793 PolarHBondContact O-N 3.09Å
774L80.4Confident68.6Low58 Ų58101.1 Ų101.130%0.30454%0.536SS..BIsolated β-bridgetrans-73.5144.1172.8-67.1173.8000111N776 A793 S795L774-N776 PolarHBondContact O-N 2.91Å; L774-A793 CarbonylContact C-O 3.25Å; L774-A793 WeakPolarHBondContact CA-O 3.41Å; L774-A793 HydrophobicContact CD2-CB 4.19Å; L774-S795 VanDerWaalsContact CD2-C 3.45Å; L774-S795 WeakPolarHBondContact CD2-O 3.49Å
775C79.8Confident69Low5 Ų5101.4 Ų101.43%0.03453%0.526CS..  trans-70.8115.6178.3-1770000110.9H777 I778 A779 C784 F792 A793C775-H777 PolarHBondContact O-N 2.94Å; C775-I778 HydrophobicContact CB-CB 4.37Å; C775-I778 HydrophobicContact CB-CG1 4.06Å; C775-I778 PolarHBondContact O-N 2.81Å; C775-A779 PolarHBondContact O-N 3.38Å; C775-C784 VanDerWaalsContact SG-SG 3.68Å; C775-F792 HydrophobicContact CB-CB 3.79Å; C775-A793 PolarHBondContact N-O 3.01Å
776N76.5Confident69.3Low132 Ų132102.2 Ų102.271%0.70653%0.527SS*.Hα-helixtrans-52.5-30.5-179.7-71.1-12.3000114.3L774 S780L774-N776 PolarHBondContact O-N 2.91Å; N776-S780 WeakPolarHBondContact O-CB 3.26Å; N776-S780 PolarHBondContact O-N 2.97Å; N776-S780 PolarHBondContact O-OG 3.03Å
777H75.4Confident69.7Low71 Ų7197.7 Ų97.733%0.32952%0.518SS..Hα-helixtrans-66-49173.5-63.2132.5000111.9C775 S780 G781 K782 C784C775-H777 PolarHBondContact O-N 2.94Å; H777-S780 CarbonylContact O-C 3.53Å; H777-S780 PolarHBondContact O-N 3.31Å; H777-S780 PolarHBondContact O-OG 3.02Å; H777-S780 VanDerWaalsContact O-OG 3.07Å; H777-G781 PolarHBondContact O-N 2.94Å; H777-K782 CarbonylContact C-O 3.51Å; H777-K782 VanDerWaalsContact C-O 3.25Å; H777-K782 WeakPolarHBondContact O-CA 3.28Å; H777-K782 PolarHBondContact O-N 2.83Å; H777-C784 HydrophobicContact CB-CB 4.46Å
778I77.7Confident70.2Confident64 Ų6491.9 Ų91.933%0.32851%0.506SS..Hα-helixtrans-66.1-40.3177.4-55.2-63.5000110.9C775 S780 G781 C784 H794C775-I778 HydrophobicContact CB-CB 4.37Å; C775-I778 HydrophobicContact CB-CG1 4.06Å; C775-I778 PolarHBondContact O-N 2.81Å; I778-S780 PolarHBondContact O-N 2.76Å; I778-G781 PolarHBondContact O-N 3.32Å; I778-C784 HydrophobicContact CD1-CB 3.75Å; I778-C784 HydrophobicContact CG1-CB 4.09Å; I778-H794 HydrophobicContact CG1-CB 4.13Å; I778-H794 WeakPolarHBondContact CG2-O 3.4Å
779A74.8Confident70.6Confident76 Ų7694.7 Ų94.763%0.62852%0.522SS*.Hα-helixtrans-63.6-28176.300000113.1C775 G781C775-A779 PolarHBondContact O-N 3.38Å; A779-G781 VanDerWaalsContact C-N 3.34Å
780S74.6Confident71.4Confident71 Ų7192.4 Ų92.450%0.49751%0.507SS..THydrogen-bonded Turntrans-9215.3171.657.30000113.9N776 H777 I778 K782N776-S780 WeakPolarHBondContact O-CB 3.26Å; N776-S780 PolarHBondContact O-N 2.97Å; N776-S780 PolarHBondContact O-OG 3.03Å; H777-S780 CarbonylContact O-C 3.53Å; H777-S780 PolarHBondContact O-N 3.31Å; H777-S780 PolarHBondContact O-OG 3.02Å; H777-S780 VanDerWaalsContact O-OG 3.07Å; I778-S780 PolarHBondContact O-N 2.76Å; S780-K782 PolarHBondContact O-N 2.8Å
781G72.8Confident72.2Confident75 Ų7585.7 Ų85.777%0.77348%0.475SS*.THydrogen-bonded Turntrans73.53.817700000115.4H777 I778 A779H777-G781 PolarHBondContact O-N 2.94Å; I778-G781 PolarHBondContact O-N 3.32Å; A779-G781 VanDerWaalsContact C-N 3.34Å
782K74.9Confident73.4Confident141 Ų14184.7 Ų84.761%0.61347%0.469SS*.PPolyproline II helixtrans-92143.4-177.3-64.2178.7-179.2-179.20110.8H777 S780 C784H777-K782 CarbonylContact C-O 3.51Å; H777-K782 VanDerWaalsContact C-O 3.25Å; H777-K782 WeakPolarHBondContact O-CA 3.28Å; H777-K782 PolarHBondContact O-N 2.83Å; S780-K782 PolarHBondContact O-N 2.8Å; K782-C784 PolarHBondContact O-N 2.83Å
783K75Confident73.6Confident197 Ų19784.6 Ų84.686%0.85747%0.468SS*.PPolyproline II helixtrans-60.2128.4173.3-67.7-179-179.11760109.4Q785K783-Q785 PolarHBondContact O-N 2.98Å
784C77.6Confident73.6Confident14 Ų1482.2 Ų82.210%0.09545%0.454CS..PPolyproline II helixtrans-70.4122.4176.7-176.40000110.4C775 H777 I778 K782 Y786 H794C775-C784 VanDerWaalsContact SG-SG 3.68Å; H777-C784 HydrophobicContact CB-CB 4.46Å; I778-C784 HydrophobicContact CD1-CB 3.75Å; I778-C784 HydrophobicContact CG1-CB 4.09Å; K782-C784 PolarHBondContact O-N 2.83Å; C784-Y786 VanDerWaalsContact C-N 3.3Å; C784-Y786 PolarHBondContact O-N 3Å; C784-H794 PolarHBondContact SG-NE2 3.36Å; C784-H794 VanDerWaalsContact SG-NE2 3.44Å
785Q69.4Low73.5Confident158 Ų15879.8 Ų79.874%0.73844%0.442SS*.SBendtrans-70-25.3179.8-67.6167.7-25.300112.8K783 V787K783-Q785 PolarHBondContact O-N 2.98Å; Q785-V787 VanDerWaalsContact C-N 3.26Å; Q785-V787 PolarHBondContact O-N 3.22Å
786Y64.1Low73.4Confident146 Ų14681 Ų8157%0.57345%0.45SS*.  trans-85.359.7-179.5-60.7-79.3000112C784 G788 N789 C790C784-Y786 VanDerWaalsContact C-N 3.3Å; C784-Y786 PolarHBondContact O-N 3Å; Y786-G788 PolarHBondContact O-N 3.2Å; Y786-N789 PolarHBondContact O-N 3.15Å; Y786-C790 VanDerWaalsContact O-CB 3.31Å; Y786-C790 WeakPolarHBondContact O-CB 3.44Å; Y786-C790 PolarHBondContact O-N 2.83Å
787V59.8Low73.7Confident128 Ų12874.9 Ų74.978%0.77642%0.417SS*.THydrogen-bonded Turntrans-58.5132.7176.2-175.30000109.6Q785 N789Q785-V787 VanDerWaalsContact C-N 3.26Å; Q785-V787 PolarHBondContact O-N 3.22Å; V787-N789 PolarHBondContact O-N 3.5Å
788G58.8Low74Confident55 Ų5571.6 Ų71.657%0.56740%0.401SS*.THydrogen-bonded Turntrans76.8-60.5-172.100000113.4Y786 C790Y786-G788 PolarHBondContact O-N 3.2Å; G788-C790 PolarHBondContact O-N 2.75Å
789N63.3Low74.2Confident144 Ų14472.3 Ų72.377%0.7740%0.4SS*.THydrogen-bonded Turntrans-86.9-2.4-164.7-69.2-8.2000116Y786 V787 S791Y786-N789 PolarHBondContact O-N 3.15Å; V787-N789 PolarHBondContact O-N 3.5Å; N789-S791 PolarHBondContact O-N 3.03Å
790C75.3Confident74.3Confident8 Ų871.3 Ų71.35%0.05438%0.382CS..  trans-61.7117.3177.2-171.90000111.9R760 Y786 G788 F792 H794R760-C790 PolarHBondContact NH1-O 3.48Å; Y786-C790 VanDerWaalsContact O-CB 3.31Å; Y786-C790 WeakPolarHBondContact O-CB 3.44Å; Y786-C790 PolarHBondContact O-N 2.83Å; G788-C790 PolarHBondContact O-N 2.75Å; C790-F792 PolarHBondContact O-N 3.37Å; C790-H794 WeakPolarHBondContact CB-NE2 3.14Å; C790-H794 PolarHBondContact SG-NE2 3.12Å
791S74Confident74.6Confident28 Ų2867.9 Ų67.920%0.19636%0.359CS..  trans-81.50.4178.7-42.20000114.5K765 N789K765-S791 VanDerWaalsContact CE-OG 3.24Å; K765-S791 WeakPolarHBondContact CE-OG 3.44Å; K765-S791 PolarHBondContact NZ-OG 3.46Å; N789-S791 PolarHBondContact O-N 3.03Å
792F81.3Confident75.1Confident108 Ų10864.3 Ų64.347%0.47432%0.322SS..SBendtrans-102.3149.4177-60.5-80.7000110R760 D773 C775 C790 H794R760-F792 PolarHBondContact NH2-O 3.4Å; D773-F792 HydrophobicContact CB-CD1 3.98Å; D773-F792 HydrophobicContact CB-CE1 4.33Å; D773-F792 WeakPolarHBondContact O-CA 3.49Å; C775-F792 HydrophobicContact CB-CB 3.79Å; C790-F792 PolarHBondContact O-N 3.37Å; F792-H794 PolarHBondContact O-CD2 3.3Å
793A81.2Confident75.2Confident0 Ų059 Ų590%030%0.301CS..BIsolated β-bridgetrans-72.2137.3-179.300000111.5D773 L774 C775 E798 R799 W802D773-A793 PolarHBondContact O-N 3.09Å; L774-A793 CarbonylContact C-O 3.25Å; L774-A793 WeakPolarHBondContact CA-O 3.41Å; L774-A793 HydrophobicContact CD2-CB 4.19Å; C775-A793 PolarHBondContact N-O 3.01Å; A793-E798 HydrophobicContact CB-CB 4.31Å; A793-E798 HydrophobicContact CB-CG 4.37Å; A793-R799 HydrophobicContact CB-CB 3.68Å; A793-W802 HydrophobicContact CB-CE3 4.25Å; A793-W802 HydrophobicContact CB-CZ3 4.29Å
794H78.7Confident75.3Confident47 Ų4751.7 Ų51.722%0.21827%0.269CS..SBendtrans-93-2.9178.4-69.5-175.6000112.5I778 C784 C790 F792 E798I778-H794 HydrophobicContact CG1-CB 4.13Å; I778-H794 WeakPolarHBondContact CG2-O 3.4Å; C784-H794 PolarHBondContact SG-NE2 3.36Å; C784-H794 VanDerWaalsContact SG-NE2 3.44Å; C790-H794 WeakPolarHBondContact CB-NE2 3.14Å; C790-H794 PolarHBondContact SG-NE2 3.12Å; F792-H794 PolarHBondContact O-CD2 3.3Å; H794-E798 PolarHBondContact N-OE2 3.24Å
795S79.3Confident75.4Confident8 Ų851 Ų516%0.05626%0.264CS..SBendtrans-153.3162.7164.688.70000111.5L774 E797 E798 R799L774-S795 VanDerWaalsContact CD2-C 3.45Å; L774-S795 WeakPolarHBondContact CD2-O 3.49Å; S795-E797 WeakPolarHBondContact CB-OE2 3.33Å; S795-E797 PolarHBondContact O-N 2.94Å; S795-E797 PolarHBondContact OG-N 2.9Å; S795-E797 PolarHBondContact OG-OE2 2.89Å; S795-E798 PolarHBondContact O-N 3.27Å; S795-E798 PolarHBondContact OG-N 3.04Å; S795-R799 PolarHBondContact O-N 3.27Å; S795-R799 VanDerWaalsContact O-N 3.08Å
796P76.5Confident75.8Confident30 Ų3046.4 Ų46.420%0.19524%0.242CC..Hα-helixtrans-56.1-39.8172.7-25.235.7000112.4E798 R799 E800P796-E798 VanDerWaalsContact C-N 3.34Å; P796-E798 PolarHBondContact O-N 3.23Å; P796-R799 WeakPolarHBondContact O-CB 3.45Å; P796-R799 PolarHBondContact O-N 2.91Å; P796-E800 WeakPolarHBondContact O-CB 3.48Å; P796-E800 WeakPolarHBondContact O-CG 3.37Å; P796-E800 PolarHBondContact O-N 3.3Å; P796-E800 VanDerWaalsContact O-OE1 3.13Å
797E82.9Confident76.3Confident3 Ų346.2 Ų46.21%0.01425%0.246CC..Hα-helixtrans-64.8-36.2178-5376.5-167.900111.9M706 V748 R753 I759 S795 E800 V801M706-E797 HydrophobicContact CE-CB 4.16Å; M706-E797 HydrophobicContact CE-CG 4.06Å; M706-E797 HydrophobicContact SD-CB 4.21Å; M706-E797 HydrophobicContact SD-CG 4.31Å; V748-E797 HydrophobicContact CG1-CB 4.49Å; R753-E797 WeakPolarHBondContact CD-OE1 3.49Å; R753-E797 IonicContact CZ-OE1 2.85Å; R753-E797 IonicContact NE-OE1 3.88Å; R753-E797 IonicContact NH1-OE1 3.62Å; R753-E797 PolarHBondContact NH1-OE1 3.1Å; I759-E797 HydrophobicContact CD1-CB 4.31Å; S795-E797 WeakPolarHBondContact CB-OE2 3.33Å; S795-E797 PolarHBondContact O-N 2.94Å; S795-E797 PolarHBondContact OG-N 2.9Å; S795-E797 PolarHBondContact OG-OE2 2.89Å; E797-E800 PolarHBondContact O-N 2.97Å; E797-V801 WeakPolarHBondContact O-CB 3.39Å; E797-V801 WeakPolarHBondContact O-CG2 3.34Å; E797-V801 PolarHBondContact O-N 3.17Å
798E82.1Confident76.9Confident2 Ų244.3 Ų44.31%0.00923%0.231CC..Hα-helixtrans-68-41.6173.5-174.6171-115.400111.9I759 R760 A793 H794 S795 P796 E800 W802I759-E798 HydrophobicContact CD1-CB 3.94Å; I759-E798 HydrophobicContact CG2-CG 4.23Å; R760-E798 VanDerWaalsContact CB-OE1 3.25Å; R760-E798 WeakPolarHBondContact CB-OE1 3.43Å; R760-E798 VanDerWaalsContact CG-OE1 3.3Å; R760-E798 WeakPolarHBondContact CG-OE1 3.46Å; R760-E798 IonicContact CZ-OE1 3.08Å; R760-E798 IonicContact CZ-OE2 3.13Å; R760-E798 PolarHBondContact N-OE1 2.88Å; R760-E798 IonicContact NE-OE1 3.21Å; R760-E798 PolarHBondContact NE-OE1 2.81Å; R760-E798 IonicContact NE-OE2 2.87Å; R760-E798 PolarHBondContact NE-OE2 2.73Å; R760-E798 IonicContact NH2-OE1 3.65Å; R760-E798 IonicContact NH2-OE2 2.66Å; R760-E798 PolarHBondContact NH2-OE2 2.79Å; A793-E798 HydrophobicContact CB-CB 4.31Å; A793-E798 HydrophobicContact CB-CG 4.37Å; H794-E798 PolarHBondContact N-OE2 3.24Å; S795-E798 PolarHBondContact O-N 3.27Å; S795-E798 PolarHBondContact OG-N 3.04Å; P796-E798 VanDerWaalsContact C-N 3.34Å; P796-E798 PolarHBondContact O-N 3.23Å; E798-E800 VanDerWaalsContact C-N 3.35Å; E798-E800 PolarHBondContact O-N 2.85Å; E798-W802 HydrophobicContact CG-CD2 3.93Å; E798-W802 HydrophobicContact CG-CE3 4.46Å; E798-W802 HydrophobicContact CG-CG 4.37Å; E798-W802 HydrophobicContact CG-CH2 4.48Å; E798-W802 HydrophobicContact CG-CZ2 3.91Å; E798-W802 VanDerWaalsContact O-CB 3.24Å; E798-W802 WeakPolarHBondContact O-CB 3.38Å; E798-W802 PolarHBondContact O-N 2.81Å
799R82.3Confident77.6Confident79 Ų7944.2 Ų44.230%0.29823%0.231SC..Hα-helixtrans-58.3-47.8172.3164.1-17572171.96111.3F772 A793 S795 P796 W802 T803F772-R799 HydrophobicContact CB-CG 4.25Å; F772-R799 WeakPolarHBondContact O-CD 3.49Å; F772-R799 WeakPolarHBondContact O-CG 3.39Å; A793-R799 HydrophobicContact CB-CB 3.68Å; S795-R799 PolarHBondContact O-N 3.27Å; S795-R799 VanDerWaalsContact O-N 3.08Å; P796-R799 WeakPolarHBondContact O-CB 3.45Å; P796-R799 PolarHBondContact O-N 2.91Å; R799-W802 PolarHBondContact O-N 3.11Å; R799-T803 VanDerWaalsContact O-CB 3.31Å; R799-T803 WeakPolarHBondContact O-CB 3.47Å; R799-T803 PolarHBondContact O-N 3.36Å; R799-T803 PolarHBondContact O-OG1 2.62Å
800E76.8Confident78.3Confident55 Ų5538 Ų3826%0.25720%0.197SC..Hα-helixtrans-67.4-43.7-174.9-77.4146.9-138.300111.7L704 M706 P796 E797 E798 T803 Y804L704-E800 HydrophobicContact CD1-CB 4.38Å; L704-E800 HydrophobicContact CD2-CB 3.95Å; M706-E800 HydrophobicContact CE-CB 4.16Å; M706-E800 WeakPolarHBondContact CE-OE2 3.27Å; P796-E800 WeakPolarHBondContact O-CB 3.48Å; P796-E800 WeakPolarHBondContact O-CG 3.37Å; P796-E800 PolarHBondContact O-N 3.3Å; P796-E800 VanDerWaalsContact O-OE1 3.13Å; E797-E800 PolarHBondContact O-N 2.97Å; E798-E800 VanDerWaalsContact C-N 3.35Å; E798-E800 PolarHBondContact O-N 2.85Å; E800-T803 PolarHBondContact O-N 3.37Å; E800-Y804 WeakPolarHBondContact O-CB 3.38Å; E800-Y804 PolarHBondContact O-N 2.96Å
801V80Confident78.1Confident0 Ų045.8 Ų45.80%023%0.233CC..Hα-helixtrans-62.6-45.5171.7171.30000111.8L704 V748 I759 E797 T803 Y804 M805 M813 F816L704-V801 HydrophobicContact CD1-CG2 3.83Å; V748-V801 HydrophobicContact CG2-CG2 4.34Å; I759-V801 HydrophobicContact CG2-CB 4.22Å; I759-V801 HydrophobicContact CG2-CG1 3.97Å; E797-V801 WeakPolarHBondContact O-CB 3.39Å; E797-V801 WeakPolarHBondContact O-CG2 3.34Å; E797-V801 PolarHBondContact O-N 3.17Å; V801-T803 VanDerWaalsContact C-N 3.31Å; V801-T803 PolarHBondContact O-N 2.93Å; V801-Y804 PolarHBondContact O-N 3.17Å; V801-M805 HydrophobicContact CG1-CG 4.3Å; V801-M805 HydrophobicContact CG1-SD 3.88Å; V801-M805 WeakPolarHBondContact O-CB 3.36Å; V801-M805 VanDerWaalsContact O-CG 3.29Å; V801-M805 WeakPolarHBondContact O-CG 3.5Å; V801-M805 PolarHBondContact O-N 2.79Å; V801-M813 HydrophobicContact CG1-CE 4.16Å; V801-F816 HydrophobicContact CB-CE1 4.34Å; V801-F816 HydrophobicContact CG1-CD1 3.97Å; V801-F816 HydrophobicContact CG1-CE1 3.51Å; V801-F816 HydrophobicContact CG1-CZ 4.09Å; V801-F816 HydrophobicContact CG2-CE1 3.96Å; V801-F816 HydrophobicContact CG2-CZ 4.12Å
802W83.4Confident78.3Confident0 Ų046.1 Ų46.10%023%0.232CC..Hα-helixtrans-62.6-37.2178-74.6-0.2000113R760 L762 P763 F772 A793 E798 R799 K806R760-W802 HydrophobicContact CB-CZ2 4.19Å; R760-W802 PolarHBondContact O-NE1 3.08Å; L762-W802 HydrophobicContact CD1-CB 3.64Å; L762-W802 HydrophobicContact CD1-CD2 4.4Å; L762-W802 HydrophobicContact CD1-CG 3.68Å; P763-W802 HydrophobicContact CG-CE3 4.36Å; P763-W802 HydrophobicContact CG-CH2 3.45Å; P763-W802 VanDerWaalsContact CG-CH2 3.45Å; P763-W802 HydrophobicContact CG-CZ2 3.91Å; P763-W802 HydrophobicContact CG-CZ3 3.72Å; F772-W802 HydrophobicContact CB-CE3 4.33Å; F772-W802 HydrophobicContact CD1-CB 4.42Å; F772-W802 HydrophobicContact CD1-CD2 4.44Å; F772-W802 AromaticContact CD1-CE3 3.52Å; F772-W802 HydrophobicContact CD1-CE3 3.52Å; F772-W802 HydrophobicContact CD1-CZ3 4.12Å; F772-W802 HydrophobicContact CD2-CB 3.72Å; F772-W802 HydrophobicContact CE1-CB 4.46Å; F772-W802 AromaticContact CE1-CE3 3.92Å; F772-W802 HydrophobicContact CE1-CE3 3.92Å; F772-W802 HydrophobicContact CE2-CB 3.79Å; F772-W802 WeakPolarHBondContact CE2-O 3.35Å; F772-W802 HydrophobicContact CG-CB 4.05Å; F772-W802 AromaticContact CG-CE3 3.97Å; F772-W802 HydrophobicContact CG-CE3 3.97Å; F772-W802 HydrophobicContact CZ-CB 4.16Å; A793-W802 HydrophobicContact CB-CE3 4.25Å; A793-W802 HydrophobicContact CB-CZ3 4.29Å; E798-W802 HydrophobicContact CG-CD2 3.93Å; E798-W802 HydrophobicContact CG-CE3 4.46Å; E798-W802 HydrophobicContact CG-CG 4.37Å; E798-W802 HydrophobicContact CG-CH2 4.48Å; E798-W802 HydrophobicContact CG-CZ2 3.91Å; E798-W802 VanDerWaalsContact O-CB 3.24Å; E798-W802 WeakPolarHBondContact O-CB 3.38Å; E798-W802 PolarHBondContact O-N 2.81Å; R799-W802 PolarHBondContact O-N 3.11Å; W802-K806 WeakPolarHBondContact O-CB 3.4Å; W802-K806 PolarHBondContact O-N 3.02Å
803T78.4Confident77.9Confident30 Ų3042 Ų4218%0.18422%0.215CC..Hα-helixtrans-68.5-50.2179.4-56.10000109.9R799 E800 V801 M805 K806 E807R799-T803 VanDerWaalsContact O-CB 3.31Å; R799-T803 WeakPolarHBondContact O-CB 3.47Å; R799-T803 PolarHBondContact O-N 3.36Å; R799-T803 PolarHBondContact O-OG1 2.62Å; E800-T803 PolarHBondContact O-N 3.37Å; V801-T803 VanDerWaalsContact C-N 3.31Å; V801-T803 PolarHBondContact O-N 2.93Å; T803-M805 PolarHBondContact O-N 2.7Å; T803-K806 WeakPolarHBondContact O-CB 3.38Å; T803-K806 PolarHBondContact O-N 3.44Å; T803-E807 WeakPolarHBondContact CG2-OE1 3.5Å; T803-E807 WeakPolarHBondContact O-CG 3.35Å; T803-E807 PolarHBondContact O-N 3.46Å
804Y76.5Confident77.5Confident43 Ų4344.7 Ų44.717%0.16923%0.227CC..Hα-helixtrans-58.2-45.2175.1-178.2-85.8000112.6G702 E800 V801 K806 E807 N808 I810 F816G702-Y804 WeakPolarHBondContact O-CE2 3.31Å; E800-Y804 WeakPolarHBondContact O-CB 3.38Å; E800-Y804 PolarHBondContact O-N 2.96Å; V801-Y804 PolarHBondContact O-N 3.17Å; Y804-K806 PolarHBondContact O-N 3.03Å; Y804-E807 PolarHBondContact O-N 3.44Å; Y804-N808 WeakPolarHBondContact CE2-ND2 3.14Å; Y804-N808 WeakPolarHBondContact O-CB 3.32Å; Y804-N808 PolarHBondContact O-N 3.32Å; Y804-N808 PolarHBondContact O-ND2 2.81Å; Y804-I810 HydrophobicContact CD1-CD1 4.33Å; Y804-I810 HydrophobicContact CE1-CD1 3.87Å; Y804-F816 AromaticContact CD1-CD2 3.72Å; Y804-F816 HydrophobicContact CD1-CD2 3.72Å; Y804-F816 AromaticContact CD1-CE2 3.42Å; Y804-F816 HydrophobicContact CD1-CE2 3.42Å; Y804-F816 VanDerWaalsContact CD1-CE2 3.42Å; Y804-F816 HydrophobicContact CD1-CZ 4.48Å; Y804-F816 AromaticContact CE1-CD2 3.74Å; Y804-F816 HydrophobicContact CE1-CD2 3.74Å; Y804-F816 AromaticContact CE1-CE2 3.63Å; Y804-F816 HydrophobicContact CE1-CE2 3.63Å; Y804-F816 HydrophobicContact CG-CE2 4.31Å
805M79.4Confident77.4Confident0 Ų047.7 Ų47.70%024%0.242CC..Hα-helixtrans-61.1-42.9177.5-78.6-176.268.900111.9L762 V801 T803 G809 I810 M813 F816L762-M805 HydrophobicContact CD1-CB 4.45Å; V801-M805 HydrophobicContact CG1-CG 4.3Å; V801-M805 HydrophobicContact CG1-SD 3.88Å; V801-M805 WeakPolarHBondContact O-CB 3.36Å; V801-M805 VanDerWaalsContact O-CG 3.29Å; V801-M805 WeakPolarHBondContact O-CG 3.5Å; V801-M805 PolarHBondContact O-N 2.79Å; T803-M805 PolarHBondContact O-N 2.7Å; M805-G809 CarbonylContact O-C 3.51Å; M805-G809 PolarHBondContact O-N 3.46Å; M805-G809 VanDerWaalsContact O-N 3.14Å; M805-I810 HydrophobicContact CB-CB 4.43Å; M805-I810 HydrophobicContact CE-CG2 4.29Å; M805-I810 VanDerWaalsContact CE-O 3.27Å; M805-I810 WeakPolarHBondContact CE-O 3.17Å; M805-I810 HydrophobicContact CG-CB 4.39Å; M805-I810 PolarHBondContact O-N 3.45Å; M805-M813 HydrophobicContact CE-SD 3.64Å; M805-M813 HydrophobicContact SD-CE 3.85Å; M805-M813 HydrophobicContact SD-SD 3.54Å; M805-F816 HydrophobicContact CG-CB 4.2Å; M805-F816 HydrophobicContact CG-CD1 4.46Å; M805-F816 HydrophobicContact CG-CD2 4.31Å; M805-F816 HydrophobicContact CG-CG 4.07Å; M805-F816 HydrophobicContact SD-CB 4.29Å; M805-F816 HydrophobicContact SD-CD1 4.31Å; M805-F816 HydrophobicContact SD-CG 4.34Å
806K77.6Confident77.3Confident61 Ų6147.8 Ų47.827%0.26524%0.241SC..Hα-helixtrans-62.7-49.7175.1175.9-163.1161.9-169.90111.8M768 P769 L770 F772 W802 T803 Y804 N808 G809M768-K806 HydrophobicContact CG-CD 3.76Å; M768-K806 HydrophobicContact CG-CG 3.98Å; P769-K806 PolarHBondContact O-NZ 3.17Å; L770-K806 VanDerWaalsContact C-NZ 3.32Å; L770-K806 PolarHBondContact O-NZ 3.42Å; F772-K806 HydrophobicContact CE2-CB 4.04Å; F772-K806 HydrophobicContact CE2-CD 4.03Å; W802-K806 WeakPolarHBondContact O-CB 3.4Å; W802-K806 PolarHBondContact O-N 3.02Å; T803-K806 WeakPolarHBondContact O-CB 3.38Å; T803-K806 PolarHBondContact O-N 3.44Å; Y804-K806 PolarHBondContact O-N 3.03Å; K806-N808 VanDerWaalsContact C-N 3.3Å; K806-N808 PolarHBondContact O-N 3.46Å; K806-G809 PolarHBondContact O-N 3.39Å; K806-G809 VanDerWaalsContact O-N 3.12Å
807E74.1Confident77.2Confident142 Ų14247.9 Ų47.966%0.66424%0.238SC*.Hα-helixtrans-62.9-36.2-175.6-73.6168.6169.300112.3T803 Y804T803-E807 WeakPolarHBondContact CG2-OE1 3.5Å; T803-E807 WeakPolarHBondContact O-CG 3.35Å; T803-E807 PolarHBondContact O-N 3.46Å; Y804-E807 PolarHBondContact O-N 3.44Å
808N72.7Confident76.8Confident87 Ų8752 Ų5247%0.46526%0.257SS..THydrogen-bonded Turntrans-91.26177.4-66.1-89.8000113.3Y804 K806 I810Y804-N808 WeakPolarHBondContact CE2-ND2 3.14Å; Y804-N808 WeakPolarHBondContact O-CB 3.32Å; Y804-N808 PolarHBondContact O-N 3.32Å; Y804-N808 PolarHBondContact O-ND2 2.81Å; K806-N808 VanDerWaalsContact C-N 3.3Å; K806-N808 PolarHBondContact O-N 3.46Å; N808-I810 HydrophobicContact CB-CD1 3.76Å; N808-I810 HydrophobicContact CB-CG1 3.81Å; N808-I810 PolarHBondContact O-N 3.28Å
809G73.8Confident76.3Confident54 Ų5456 Ų5656%0.55728%0.278SS*.THydrogen-bonded Turntrans6712.1-179.900000115.6M805 K806 Q811M805-G809 CarbonylContact O-C 3.51Å; M805-G809 PolarHBondContact O-N 3.46Å; M805-G809 VanDerWaalsContact O-N 3.14Å; K806-G809 PolarHBondContact O-N 3.39Å; K806-G809 VanDerWaalsContact O-N 3.12Å; G809-Q811 PolarHBondContact O-N 2.77Å
810I78.9Confident76Confident12 Ų1253.8 Ų53.86%0.06227%0.269CS..  trans-77.3112.4-174.7-50.3167.5000109.6Y804 M805 N808 D812 Q815 F816 L819Y804-I810 HydrophobicContact CD1-CD1 4.33Å; Y804-I810 HydrophobicContact CE1-CD1 3.87Å; M805-I810 HydrophobicContact CB-CB 4.43Å; M805-I810 HydrophobicContact CE-CG2 4.29Å; M805-I810 VanDerWaalsContact CE-O 3.27Å; M805-I810 WeakPolarHBondContact CE-O 3.17Å; M805-I810 HydrophobicContact CG-CB 4.39Å; M805-I810 PolarHBondContact O-N 3.45Å; N808-I810 HydrophobicContact CB-CD1 3.76Å; N808-I810 HydrophobicContact CB-CG1 3.81Å; N808-I810 PolarHBondContact O-N 3.28Å; I810-D812 WeakPolarHBondContact CG2-O 3.4Å; I810-Q815 HydrophobicContact CG2-CB 3.87Å; I810-F816 HydrophobicContact CD1-CD2 4.36Å; I810-F816 HydrophobicContact CG2-CB 4.08Å; I810-L819 HydrophobicContact CD1-CD1 3.62Å; I810-L819 HydrophobicContact CG1-CD1 4.24Å
811Q70.6Confident75.7Confident172 Ų17253.5 Ų53.580%0.80427%0.27SS*.  trans-93.2-16.8178.9-60.1-177.120.200113.2G809G809-Q811 PolarHBondContact O-N 2.77Å
812D77.3Confident75Confident35 Ų3559.3 Ų59.319%0.18730%0.295CS..  trans-109.6129.1-177.2-157.7-25.7000112.6K741 I810 E814 Q815 F816K741-D812 WeakPolarHBondContact CE-OD2 3.35Å; K741-D812 VanDerWaalsContact NZ-CG 3.33Å; K741-D812 IonicContact NZ-OD1 3.19Å; K741-D812 IonicContact NZ-OD2 3.92Å; K741-D812 PolarHBondContact NZ-OD2 3.07Å; I810-D812 WeakPolarHBondContact CG2-O 3.4Å; D812-E814 PolarHBondContact O-N 2.86Å; D812-E814 PolarHBondContact OD1-N 3.25Å; D812-Q815 HydrophobicContact CB-CB 4.15Å; D812-Q815 HydrophobicContact CB-CG 3.88Å; D812-Q815 PolarHBondContact O-N 3.12Å; D812-F816 PolarHBondContact O-N 3.05Å; D812-F816 VanDerWaalsContact O-N 3.17Å
813M73.3Confident73.9Confident21 Ų2160.7 Ų60.710%0.10330%0.304CS..Hα-helixtrans-60.3-30174.4-54.7-57.7-53.700111.9F710 M746 I759 V801 M805 Y817F710-M813 HydrophobicContact CE1-CB 4.5Å; F710-M813 HydrophobicContact CZ-CB 4.13Å; M746-M813 HydrophobicContact CB-CE 4.36Å; M746-M813 HydrophobicContact CE-CB 4.19Å; M746-M813 HydrophobicContact CE-CE 4.08Å; M746-M813 VanDerWaalsContact CE-O 3.25Å; M746-M813 WeakPolarHBondContact CE-O 3.18Å; M746-M813 HydrophobicContact SD-CE 3.57Å; M746-M813 VanDerWaalsContact SD-CE 3.57Å; I759-M813 HydrophobicContact CG2-CE 3.95Å; V801-M813 HydrophobicContact CG1-CE 4.16Å; M805-M813 HydrophobicContact CE-SD 3.64Å; M805-M813 HydrophobicContact SD-CE 3.85Å; M805-M813 HydrophobicContact SD-SD 3.54Å; M813-Y817 PolarHBondContact O-N 2.72Å; M813-Y817 VanDerWaalsContact O-N 3.13Å
814E72.6Confident72.8Confident58 Ų5862.7 Ų62.727%0.27131%0.312SS..Hα-helixtrans-74.2-37.4178.9-172.9146.8-112.600112R744 D812 Y817 E818R744-E814 IonicContact CZ-OE1 2.81Å; R744-E814 IonicContact CZ-OE2 2.77Å; R744-E814 IonicContact NH1-OE1 3.92Å; R744-E814 PolarHBondContact NH1-OE1 3.37Å; R744-E814 IonicContact NH1-OE2 2.78Å; R744-E814 PolarHBondContact NH1-OE2 3Å; D812-E814 PolarHBondContact O-N 2.86Å; D812-E814 PolarHBondContact OD1-N 3.25Å; E814-Y817 PolarHBondContact O-N 2.91Å; E814-E818 PolarHBondContact O-N 2.8Å
815Q76.9Confident71.5Confident110 Ų11068 Ų6851%0.51434%0.335SS..Hα-helixtrans-63.7-44.3173.3-70.2171.4-9.200111.4I810 D812 Y817 E818 L819I810-Q815 HydrophobicContact CG2-CB 3.87Å; D812-Q815 HydrophobicContact CB-CB 4.15Å; D812-Q815 HydrophobicContact CB-CG 3.88Å; D812-Q815 PolarHBondContact O-N 3.12Å; Q815-Y817 VanDerWaalsContact C-N 3.32Å; Q815-Y817 PolarHBondContact O-N 3.14Å; Q815-E818 PolarHBondContact O-N 3.4Å; Q815-L819 PolarHBondContact O-N 2.8Å
816F78.1Confident69.8Low9 Ų974.9 Ų74.94%0.03937%0.373CS..Hα-helixtrans-58.2-43.1174.2172.8-121.8000111.9L704 I708 M746 V801 Y804 M805 I810 D812 L819 W820L704-F816 HydrophobicContact CD1-CZ 4.32Å; I708-F816 HydrophobicContact CD1-CE1 3.68Å; I708-F816 HydrophobicContact CD1-CZ 3.83Å; M746-F816 HydrophobicContact CE-CD1 4.01Å; M746-F816 HydrophobicContact SD-CD1 4.05Å; M746-F816 HydrophobicContact SD-CE1 4.13Å; V801-F816 HydrophobicContact CB-CE1 4.34Å; V801-F816 HydrophobicContact CG1-CD1 3.97Å; V801-F816 HydrophobicContact CG1-CE1 3.51Å; V801-F816 HydrophobicContact CG1-CZ 4.09Å; V801-F816 HydrophobicContact CG2-CE1 3.96Å; V801-F816 HydrophobicContact CG2-CZ 4.12Å; Y804-F816 AromaticContact CD1-CD2 3.72Å; Y804-F816 HydrophobicContact CD1-CD2 3.72Å; Y804-F816 AromaticContact CD1-CE2 3.42Å; Y804-F816 HydrophobicContact CD1-CE2 3.42Å; Y804-F816 VanDerWaalsContact CD1-CE2 3.42Å; Y804-F816 HydrophobicContact CD1-CZ 4.48Å; Y804-F816 AromaticContact CE1-CD2 3.74Å; Y804-F816 HydrophobicContact CE1-CD2 3.74Å; Y804-F816 AromaticContact CE1-CE2 3.63Å; Y804-F816 HydrophobicContact CE1-CE2 3.63Å; Y804-F816 HydrophobicContact CG-CE2 4.31Å; M805-F816 HydrophobicContact CG-CB 4.2Å; M805-F816 HydrophobicContact CG-CD1 4.46Å; M805-F816 HydrophobicContact CG-CD2 4.31Å; M805-F816 HydrophobicContact CG-CG 4.07Å; M805-F816 HydrophobicContact SD-CB 4.29Å; M805-F816 HydrophobicContact SD-CD1 4.31Å; M805-F816 HydrophobicContact SD-CG 4.34Å; I810-F816 HydrophobicContact CD1-CD2 4.36Å; I810-F816 HydrophobicContact CG2-CB 4.08Å; D812-F816 PolarHBondContact O-N 3.05Å; D812-F816 VanDerWaalsContact O-N 3.17Å; F816-L819 PolarHBondContact O-N 3Å; F816-W820 WeakPolarHBondContact O-CB 3.26Å; F816-W820 PolarHBondContact O-N 3.47Å
817Y73.8Confident68.1Low33 Ų3379.2 Ų79.213%0.12939%0.394CS..Hα-helixtrans-67.9-36177.2-174.7-120.4000113.5I708 F710 M813 E814 Q815 W820 L821I708-Y817 HydrophobicContact CB-CD2 4.08Å; I708-Y817 HydrophobicContact CB-CE2 4.1Å; I708-Y817 HydrophobicContact CG2-CD2 3.58Å; I708-Y817 HydrophobicContact CG2-CE2 3.89Å; F710-Y817 AromaticContact CD2-CD1 3.51Å; F710-Y817 HydrophobicContact CD2-CD1 3.51Å; F710-Y817 HydrophobicContact CD2-CD2 4.46Å; F710-Y817 AromaticContact CD2-CE1 3.83Å; F710-Y817 HydrophobicContact CD2-CE1 3.83Å; F710-Y817 AromaticContact CD2-CG 3.85Å; F710-Y817 HydrophobicContact CD2-CG 3.85Å; F710-Y817 AromaticContact CE2-CD1 3.56Å; F710-Y817 HydrophobicContact CE2-CD1 3.56Å; F710-Y817 HydrophobicContact CE2-CD2 4.49Å; F710-Y817 HydrophobicContact CE2-CE1 4.35Å; F710-Y817 AromaticContact CE2-CG 3.63Å; F710-Y817 HydrophobicContact CE2-CG 3.63Å; M813-Y817 PolarHBondContact O-N 2.72Å; M813-Y817 VanDerWaalsContact O-N 3.13Å; E814-Y817 PolarHBondContact O-N 2.91Å; Q815-Y817 VanDerWaalsContact C-N 3.32Å; Q815-Y817 PolarHBondContact O-N 3.14Å; Y817-W820 AromaticContact CD2-CE3 3.79Å; Y817-W820 HydrophobicContact CD2-CE3 3.79Å; Y817-W820 HydrophobicContact CD2-CZ3 4.2Å; Y817-W820 AromaticContact CE2-CE3 3.63Å; Y817-W820 HydrophobicContact CE2-CE3 3.63Å; Y817-W820 AromaticContact CE2-CZ3 3.55Å; Y817-W820 HydrophobicContact CE2-CZ3 3.55Å; Y817-L821 HydrophobicContact CD1-CD1 3.84Å; Y817-L821 HydrophobicContact CE1-CD1 3.42Å; Y817-L821 VanDerWaalsContact CE1-CD1 3.42Å; Y817-L821 HydrophobicContact CE1-CG 4.28Å; Y817-L821 HydrophobicContact CE2-CD1 4.36Å; Y817-L821 HydrophobicContact CE2-CG 4.37Å; Y817-L821 HydrophobicContact CG-CD1 4.48Å; Y817-L821 WeakPolarHBondContact O-CB 3.29Å; Y817-L821 PolarHBondContact O-N 3.2Å
818E74.7Confident66.4Low89 Ų8980.5 Ų80.542%0.41640%0.397SS..Hα-helixtrans-68.6-38.6173.8-78.4-149.6176.800113E814 Q815 L821 K822E814-E818 PolarHBondContact O-N 2.8Å; Q815-E818 PolarHBondContact O-N 3.4Å; E818-L821 PolarHBondContact O-N 2.66Å; E818-K822 WeakPolarHBondContact O-CB 3.28Å; E818-K822 WeakPolarHBondContact O-CD 3.43Å; E818-K822 VanDerWaalsContact O-CG 3.23Å; E818-K822 WeakPolarHBondContact O-CG 3.39Å; E818-K822 PolarHBondContact O-N 2.88Å; E818-K822 IonicContact OE2-NZ 2.72Å; E818-K822 PolarHBondContact OE2-NZ 3.42Å
819L71.7Confident64.5Low85 Ų8581.4 Ų81.445%0.44541%0.41SS..Hα-helixtrans-60.1-47.4173-82.3155.9000110.6I810 Q815 F816 L821 K822 S823I810-L819 HydrophobicContact CD1-CD1 3.62Å; I810-L819 HydrophobicContact CG1-CD1 4.24Å; Q815-L819 PolarHBondContact O-N 2.8Å; F816-L819 PolarHBondContact O-N 3Å; L819-L821 PolarHBondContact O-N 3.38Å; L819-K822 PolarHBondContact O-N 2.88Å; L819-S823 PolarHBondContact O-N 3.4Å; L819-S823 PolarHBondContact O-OG 3.41Å
820W75.1Confident62.8Low33 Ų3387.6 Ų87.613%0.12543%0.425CS..Hα-helixtrans-63.2-37.4175.1178.387.6000113.4M706 I708 F816 Y817 S823 Q824M706-W820 PolarHBondContact O-NE1 3.37Å; I708-W820 HydrophobicContact CB-CD2 4.05Å; I708-W820 HydrophobicContact CB-CE3 4.05Å; I708-W820 HydrophobicContact CB-CH2 4.14Å; I708-W820 HydrophobicContact CB-CZ2 4.1Å; I708-W820 HydrophobicContact CB-CZ3 4.11Å; I708-W820 HydrophobicContact CD1-CB 4.29Å; I708-W820 HydrophobicContact CD1-CD2 3.89Å; I708-W820 HydrophobicContact CD1-CG 3.71Å; I708-W820 HydrophobicContact CG1-CD2 3.96Å; I708-W820 HydrophobicContact CG1-CE3 4.48Å; I708-W820 HydrophobicContact CG1-CG 4.29Å; I708-W820 HydrophobicContact CG1-CZ2 4.1Å; F816-W820 WeakPolarHBondContact O-CB 3.26Å; F816-W820 PolarHBondContact O-N 3.47Å; Y817-W820 AromaticContact CD2-CE3 3.79Å; Y817-W820 HydrophobicContact CD2-CE3 3.79Å; Y817-W820 HydrophobicContact CD2-CZ3 4.2Å; Y817-W820 AromaticContact CE2-CE3 3.63Å; Y817-W820 HydrophobicContact CE2-CE3 3.63Å; Y817-W820 AromaticContact CE2-CZ3 3.55Å; Y817-W820 HydrophobicContact CE2-CZ3 3.55Å; W820-S823 PolarHBondContact O-OG 3.04Å; W820-Q824 HydrophobicContact CZ2-CG 4.48Å; W820-Q824 PolarHBondContact O-N 2.92Å; W820-Q824 VanDerWaalsContact O-N 3.12Å
821L70.9Confident60.5Low50 Ų5094.8 Ų94.826%0.26246%0.463SS..Hα-helixtrans-70.2-30.3173.7-90171.5000113.3Y817 E818 L819 K825Y817-L821 HydrophobicContact CD1-CD1 3.84Å; Y817-L821 HydrophobicContact CE1-CD1 3.42Å; Y817-L821 VanDerWaalsContact CE1-CD1 3.42Å; Y817-L821 HydrophobicContact CE1-CG 4.28Å; Y817-L821 HydrophobicContact CE2-CD1 4.36Å; Y817-L821 HydrophobicContact CE2-CG 4.37Å; Y817-L821 HydrophobicContact CG-CD1 4.48Å; Y817-L821 WeakPolarHBondContact O-CB 3.29Å; Y817-L821 PolarHBondContact O-N 3.2Å; E818-L821 PolarHBondContact O-N 2.66Å; L819-L821 PolarHBondContact O-N 3.38Å; L821-K825 WeakPolarHBondContact O-CG 3.33Å; L821-K825 PolarHBondContact O-N 2.66Å
822K66.3Low58.7Low121 Ų12193.6 Ų93.653%0.52647%0.467SS..Hα-helixtrans-73.6-44175.9-74.5161.7-170.4160.20110.2E818 L819 Q824 K825 N826E818-K822 WeakPolarHBondContact O-CB 3.28Å; E818-K822 WeakPolarHBondContact O-CD 3.43Å; E818-K822 VanDerWaalsContact O-CG 3.23Å; E818-K822 WeakPolarHBondContact O-CG 3.39Å; E818-K822 PolarHBondContact O-N 2.88Å; E818-K822 IonicContact OE2-NZ 2.72Å; E818-K822 PolarHBondContact OE2-NZ 3.42Å; L819-K822 PolarHBondContact O-N 2.88Å; K822-Q824 PolarHBondContact O-N 2.85Å; K822-K825 PolarHBondContact O-N 3.49Å; K822-K825 VanDerWaalsContact O-N 3.13Å; K822-N826 PolarHBondContact O-N 3.03Å
823S60.2Low56.5Low29 Ų2996.2 Ų96.220%0.20349%0.494CS..Hα-helixtrans-61.3-44.917562.90000112.4L819 W820 K825 N826L819-S823 PolarHBondContact O-N 3.4Å; L819-S823 PolarHBondContact O-OG 3.41Å; W820-S823 PolarHBondContact O-OG 3.04Å; S823-K825 PolarHBondContact O-N 3Å; S823-K825 VanDerWaalsContact O-N 3.16Å; S823-N826 PolarHBondContact O-N 3.45Å
824Q55.3Low54.5Low72 Ų72100.9 Ų100.934%0.33653%0.528SS..Hα-helixtrans-69.3-7.6176.3-71-150.9-17.100115.2W820 K822W820-Q824 HydrophobicContact CZ2-CG 4.48Å; W820-Q824 PolarHBondContact O-N 2.92Å; W820-Q824 VanDerWaalsContact O-N 3.12Å; K822-Q824 PolarHBondContact O-N 2.85Å
825K49.4Very low52.4Low154 Ų154107 Ų10767%0.6756%0.557SS**Hα-helixtrans-91.8-32174-86.4-176169.9-165.20113.1L821 K822 S823 E827 K828L821-K825 WeakPolarHBondContact O-CG 3.33Å; L821-K825 PolarHBondContact O-N 2.66Å; K822-K825 PolarHBondContact O-N 3.49Å; K822-K825 VanDerWaalsContact O-N 3.13Å; S823-K825 PolarHBondContact O-N 3Å; S823-K825 VanDerWaalsContact O-N 3.16Å; K825-E827 PolarHBondContact O-N 2.91Å; K825-K828 PolarHBondContact O-N 3.01Å
826N43.7Very low50Low146 Ų146107.5 Ų107.578%0.78157%0.573SS**Hα-helixtrans-61.4-32.7173.5-84.231.2000111.8K822 S823 K828K822-N826 PolarHBondContact O-N 3.03Å; S823-N826 PolarHBondContact O-N 3.45Å; N826-K828 PolarHBondContact O-N 3.05Å
827E41.1Very low47.6Very low151 Ų151114.5 Ų114.571%0.70661%0.61SS**THydrogen-bonded Turntrans-72.10.2177.5-60.1177.114100114.7K825K825-E827 PolarHBondContact O-N 2.91Å
828K37.9Very low45.5Very low170 Ų170122.9 Ų122.974%0.73965%0.648SS**THydrogen-bonded Turntrans-137.719.7-167.8-69.5-169173.7-177.70115.6K825 N826K825-K828 PolarHBondContact O-N 3.01Å; N826-K828 PolarHBondContact O-N 3.05Å
829S32.4Very low43.4Very low105 Ų105126.7 Ų126.773%0.73467%0.665SS**SBendtrans-106.6-2.3177.1-161.30000114.5
830E37.9Very low41.3Very low185 Ų185129.8 Ų129.886%0.86468%0.682SS**SBendtrans-118.882175.3-64.9-168.2155.500109.8
831D31.8Very low39.1Very low162 Ų162131.6 Ų131.687%0.86671%0.711SS**SBend-173.9148.5128.7-109.2-28.2000112.4
832V31.4Very low37.3Very low147 Ų147138.9 Ų138.989%0.89174%0.741SS**  trans91.8107.3-172.8-176.40000114.6
833A33Very low35.6Very low91 Ų91141.8 Ų141.875%0.75276%0.757SS**  trans-105.3148.9-177.200000113.4
834S29.5Very low34.3Very low118 Ų118147.5 Ų147.583%0.82578%0.783SS**  trans-179.8125.7138-82.40000113.6
835Q30.4Very low32.9Very low187 Ų187149.7 Ų149.787%0.87479%0.793SS**  trans20.9119.4152-59.8177-11.300120.5
836S24.9Very low32.1Very low121 Ų121147.8 Ų147.885%0.84679%0.788SS**  169.415699.851.90000115.2
837N27.8Very low31.8Very low155 Ų155146.5 Ų146.583%0.82979%0.788SS**  trans-35.2136.3-176.4-57.3-24.9000119.1
838K29.2Very low31.8Very low209 Ų209144 Ų14491%0.90978%0.783SS**  -168.5149.196.8-103.8175.4-177.7179.50114.1
839E32Very low31.7Very low169 Ų169140.1 Ų140.179%0.7977%0.77SS**  trans-79.6136.1172.7-54.6165100.600111.5
840N28Very low32.1Very low150 Ų150144.1 Ų144.180%0.80277%0.77SS**  162.4145.8106.9-92.3-65.8000111.9
841G28.6Very low32Very low71 Ų71138.6 Ų138.673%0.73276%0.756SS**  trans134.259-178.800000112.6Q843G841-Q843 PolarHBondContact O-N 2.94Å
842K31.6Very low32.5Very low203 Ų203139 Ų13988%0.88375%0.753SS**  trans-64.1105.9178.2-68.6179.9179.5177.30109.9I844K842-I844 PolarHBondContact O-N 2.94Å
843Q31.7Very low33.4Very low183 Ų183138 Ų13886%0.85575%0.747SS**  trans-60.9133.2164.2-178.5170.1-21.500108.5G841 H845G841-Q843 PolarHBondContact O-N 2.94Å; Q843-H845 PolarHBondContact O-N 3.27Å; Q843-H845 VanDerWaalsContact O-N 3.13Å
844I31.8Very low34.2Very low148 Ų148136.5 Ų136.576%0.75973%0.729SS**  trans-69.7111.9-179.6-59.9173.4000107.9K842K842-I844 PolarHBondContact O-N 2.94Å
845H27.7Very low35.3Very low119 Ų119132.6 Ų132.655%0.55170%0.7SS**  trans-69.9133.7171.2-122.3-60000109.2Q843 D849Q843-H845 PolarHBondContact O-N 3.27Å; Q843-H845 VanDerWaalsContact O-N 3.13Å; H845-D849 IonicContact CE1-OD2 2.68Å; H845-D849 IonicContact CG-OD2 3.8Å; H845-D849 VanDerWaalsContact ND1-CB 3.32Å; H845-D849 WeakPolarHBondContact ND1-CB 3.24Å; H845-D849 IonicContact ND1-OD2 3.9Å; H845-D849 PolarHBondContact ND1-OD2 2.77Å
846M31.5Very low37.1Very low113 Ų113126.2 Ų126.256%0.55767%0.672SS**  trans-86.5145.5174.9-72.7-63.3-6800109.9T848 D849M846-T848 WeakPolarHBondContact CB-OG1 3.18Å; M846-T848 PolarHBondContact O-N 3.05Å; M846-D849 PolarHBondContact N-OD2 3.16Å; M846-D849 WeakPolarHBondContact O-CB 3.33Å; M846-D849 PolarHBondContact O-N 2.98Å
847P37.2Very low39.8Very low120 Ų120121.4 Ų121.478%0.77964%0.635SS**THydrogen-bonded Turntrans-59.3-11.7179-27.136.1000115.4D849P847-D849 VanDerWaalsContact C-N 3.35Å
848T41.8Very low42.5Very low98 Ų98114.1 Ų114.160%0.60160%0.596SS**THydrogen-bonded Turntrans-70.7-26.1172.841.60000114M846 Y850 A851M846-T848 WeakPolarHBondContact CB-OG1 3.18Å; M846-T848 PolarHBondContact O-N 3.05Å; T848-Y850 PolarHBondContact O-N 3.42Å; T848-A851 VanDerWaalsContact O-CB 3.31Å; T848-A851 WeakPolarHBondContact O-CB 3.33Å; T848-A851 PolarHBondContact O-N 3.37Å; T848-A851 VanDerWaalsContact O-N 3.16Å
849D35.6Very low45.2Very low89 Ų89104.1 Ų104.148%0.47655%0.553SS.*THydrogen-bonded Turntrans-82.2-9.3-163.9-45.6-24000112.4H845 M846 P847H845-D849 IonicContact CE1-OD2 2.68Å; H845-D849 IonicContact CG-OD2 3.8Å; H845-D849 VanDerWaalsContact ND1-CB 3.32Å; H845-D849 WeakPolarHBondContact ND1-CB 3.24Å; H845-D849 IonicContact ND1-OD2 3.9Å; H845-D849 PolarHBondContact ND1-OD2 2.77Å; M846-D849 PolarHBondContact N-OD2 3.16Å; M846-D849 WeakPolarHBondContact O-CB 3.33Å; M846-D849 PolarHBondContact O-N 2.98Å; P847-D849 VanDerWaalsContact C-N 3.35Å
850Y40.2Very low47.4Very low188 Ų188100 Ų10074%0.73753%0.531SS*.THydrogen-bonded Turntrans-103.99.1172.1-76.6-83.5000113.1T848 E852T848-Y850 PolarHBondContact O-N 3.42Å; Y850-E852 PolarHBondContact O-N 2.91Å
851A37.1Very low49.7Very low69 Ų6995.2 Ų95.257%0.5750%0.504SS*.  trans-76.5102.4175.900000110.7T848 V853T848-A851 VanDerWaalsContact O-CB 3.31Å; T848-A851 WeakPolarHBondContact O-CB 3.33Å; T848-A851 PolarHBondContact O-N 3.37Å; T848-A851 VanDerWaalsContact O-N 3.16Å; A851-V853 PolarHBondContact O-N 3.4Å; A851-V853 VanDerWaalsContact O-N 3.1Å
852E40.8Very low52.1Low171 Ų17192.4 Ų92.480%0.79947%0.473SS*.  trans-58.2114.6174.1-69.6-169.5126.800111.1Y850 T854Y850-E852 PolarHBondContact O-N 2.91Å; E852-T854 HydrophobicContact CB-CG2 4.16Å; E852-T854 WeakPolarHBondContact O-CG2 3.46Å; E852-T854 PolarHBondContact O-N 2.99Å; E852-T854 PolarHBondContact O-OG1 3.29Å
853V50.1Low54.2Low125 Ų12583.2 Ų83.276%0.75844%0.435SS*.  trans-67.3102.3-176.6-178.90000110A851A851-V853 PolarHBondContact O-N 3.4Å; A851-V853 VanDerWaalsContact O-N 3.1Å
854T50.1Low56.6Low61 Ų6179.6 Ų79.637%0.37442%0.417SS..  trans-135.9-13.7-166.547.30000116.4P597 E852P597-T854 HydrophobicContact CB-CG2 4.23Å; P597-T854 WeakPolarHBondContact CD-O 3.47Å; E852-T854 HydrophobicContact CB-CG2 4.16Å; E852-T854 WeakPolarHBondContact O-CG2 3.46Å; E852-T854 PolarHBondContact O-N 2.99Å; E852-T854 PolarHBondContact O-OG1 3.29Å
855V52.9Low58.9Low36 Ų3675.3 Ų75.322%0.21840%0.396CS..  trans-129.383.7177.5-165.50000112.2M582 P597 F857 C866 N867M582-V855 HydrophobicContact SD-CG1 3.9Å; P597-V855 HydrophobicContact CG-CG2 3.61Å; V855-F857 HydrophobicContact CB-CE2 4.34Å; V855-F857 HydrophobicContact CG1-CD1 4.39Å; V855-F857 HydrophobicContact CG1-CD2 3.74Å; V855-F857 HydrophobicContact CG1-CE1 4.09Å; V855-F857 HydrophobicContact CG1-CE2 3.38Å; V855-F857 HydrophobicContact CG1-CG 4.24Å; V855-F857 HydrophobicContact CG1-CZ 3.59Å; V855-F857 PolarHBondContact O-N 2.95Å; V855-C866 VanDerWaalsContact O-O 3.08Å; V855-N867 CarbonylContact O-C 3.54Å; V855-N867 VanDerWaalsContact O-CA 3.26Å; V855-N867 WeakPolarHBondContact O-CA 3.25Å
856D69.1Low61.5Low53 Ų5370 Ų7028%0.28337%0.372SS..  trans-83.291.2166.5-96.222.3000110I583 N865I583-D856 PolarHBondContact N-O 3.27Å; I583-D856 VanDerWaalsContact N-O 3.15Å; D856-N865 HydrophobicContact CB-CB 4.49Å; D856-N865 PolarHBondContact OD2-ND2 2.85Å
857F81.8Confident63.6Low19 Ų1969 Ų698%0.08337%0.369CS..EExtended strand (participates in β ladder)trans-68.2129.4164.6-64.5-79.6000109.3P580 R581 M582 V855 N865 C866 E869 W872P580-F857 HydrophobicContact CB-CD1 4.37Å; P580-F857 HydrophobicContact CG-CD1 3.75Å; P580-F857 HydrophobicContact CG-CE1 3.86Å; R581-F857 WeakPolarHBondContact O-CA 3.48Å; M582-F857 HydrophobicContact CG-CD1 3.96Å; M582-F857 HydrophobicContact CG-CE1 4.24Å; M582-F857 HydrophobicContact SD-CD1 4.44Å; M582-F857 HydrophobicContact SD-CE1 4.15Å; V855-F857 HydrophobicContact CB-CE2 4.34Å; V855-F857 HydrophobicContact CG1-CD1 4.39Å; V855-F857 HydrophobicContact CG1-CD2 3.74Å; V855-F857 HydrophobicContact CG1-CE1 4.09Å; V855-F857 HydrophobicContact CG1-CE2 3.38Å; V855-F857 HydrophobicContact CG1-CG 4.24Å; V855-F857 HydrophobicContact CG1-CZ 3.59Å; V855-F857 PolarHBondContact O-N 2.95Å; F857-N865 CarbonylContact O-C 3.55Å; F857-N865 VanDerWaalsContact O-CA 3.28Å; F857-N865 WeakPolarHBondContact O-CA 3.4Å; F857-C866 HydrophobicContact CB-CB 4.33Å; F857-C866 PolarHBondContact N-O 3.36Å; F857-C866 PolarHBondContact O-N 2.95Å; F857-E869 HydrophobicContact CE2-CB 4.3Å; F857-E869 HydrophobicContact CZ-CB 4.5Å; F857-E869 WeakPolarHBondContact CZ-OE2 3.49Å; F857-W872 HydrophobicContact CB-CB 4.38Å; F857-W872 HydrophobicContact CB-CD2 4Å; F857-W872 HydrophobicContact CB-CE3 3.57Å; F857-W872 HydrophobicContact CB-CG 4.33Å; F857-W872 HydrophobicContact CB-CZ3 4.17Å; F857-W872 HydrophobicContact CD2-CB 4.15Å; F857-W872 HydrophobicContact CG-CB 4.24Å; F857-W872 HydrophobicContact CG-CD2 4.42Å; F857-W872 HydrophobicContact CG-CE3 4.45Å; F857-W872 HydrophobicContact CG-CG 4.32Å
858H83.8Confident65.7Low2 Ų265.3 Ų65.31%0.00935%0.346CS..EExtended strand (participates in β ladder)trans-119.1118-174.317879.7000113R581 I583 V618 Y620 W860 K864 N865R581-H858 HydrophobicContact CG-CB 4.42Å; R581-H858 PolarHBondContact O-N 3.34Å; I583-H858 HydrophobicContact CD1-CB 4.07Å; I583-H858 HydrophobicContact CG1-CB 3.59Å; V618-H858 PolarHBondContact O-CE1 3.32Å; Y620-H858 AromaticContact CD2-CD2 3.93Å; Y620-H858 AromaticContact CD2-CE1 3.45Å; Y620-H858 VanDerWaalsContact CD2-CE1 3.45Å; Y620-H858 WeakPolarHBondContact CD2-CE1 3.39Å; Y620-H858 AromaticContact CD2-ND1 3.85Å; Y620-H858 AromaticContact CD2-NE2 3.5Å; Y620-H858 WeakPolarHBondContact CD2-NE2 3.43Å; Y620-H858 AromaticContact CE2-CE1 3.51Å; Y620-H858 AromaticContact CE2-ND1 3.56Å; H858-W860 PolarHBondContact O-N 3.22Å; H858-K864 WeakPolarHBondContact CA-O 3.45Å; H858-N865 PolarHBondContact ND1-OD1 2.75Å
859C84.9Confident67.5Low0 Ų064.7 Ų64.70%034%0.336CS..EExtended strand (participates in β ladder)trans-85.3101.1174.4-175.90000110.2M861 C862 G863 K864 W872 H875 H881C859-M861 PolarHBondContact O-N 3.2Å; C859-C862 HydrophobicContact CB-CB 4.14Å; C859-C862 CarbonylContact O-C 3.21Å; C859-C862 PolarHBondContact O-N 3.04Å; C859-G863 PolarHBondContact O-N 3.42Å; C859-K864 PolarHBondContact N-O 2.73Å; C859-W872 HydrophobicContact CB-CH2 3.88Å; C859-W872 HydrophobicContact CB-CZ3 3.69Å; C859-H875 WeakPolarHBondContact CB-NE2 3.41Å; C859-H881 PolarHBondContact SG-CE1 3.17Å
860W79.6Confident69.7Low83 Ų8369.4 Ų69.431%0.31435%0.352SS..THydrogen-bonded Turntrans-62.4-26.6-179.164.3-97.7000113.7H858 K946 L952H858-W860 PolarHBondContact O-N 3.22Å; W860-K946 HydrophobicContact CZ2-CD 4.44Å; W860-L952 HydrophobicContact CZ2-CD1 3.98Å
861M76.6Confident71.9Confident49 Ų4964.7 Ų64.724%0.24134%0.337CS..THydrogen-bonded Turntrans-73.6-28.3173.7-71.7-70.8-83.300113.9C859 K884 L952C859-M861 PolarHBondContact O-N 3.2Å; M861-K884 WeakPolarHBondContact CE-O 3.49Å; M861-L952 HydrophobicContact CG-CD1 3.79Å
862C78.8Confident74.2Confident11 Ų1161.5 Ų61.57%0.07431%0.31CS..THydrogen-bonded Turntrans-109.6-11.1-177-77.40000114.3C859 K864 H875 K884C859-C862 HydrophobicContact CB-CB 4.14Å; C859-C862 CarbonylContact O-C 3.21Å; C859-C862 PolarHBondContact O-N 3.04Å; C862-K864 HydrophobicContact CB-CB 4.34Å; C862-K864 HydrophobicContact CB-CD 4.2Å; C862-K864 HydrophobicContact CB-CG 4.1Å; C862-K864 PolarHBondContact O-N 2.8Å; C862-H875 VanDerWaalsContact SG-CE1 3.55Å; C862-K884 VanDerWaalsContact SG-CD 3.55Å
863G75.4Confident76.3Confident10 Ų1057.2 Ų57.210%0.10329%0.29CS..THydrogen-bonded Turntrans6030.9-174.500000113.2V618 C859V618-G863 PolarHBondContact N-O 3.26Å; V618-G863 VanDerWaalsContact O-CA 3.25Å; V618-G863 WeakPolarHBondContact O-CA 3.18Å; C859-G863 PolarHBondContact O-N 3.42Å
864K81.2Confident77.9Confident108 Ų10853.4 Ų53.447%0.4728%0.277SS..EExtended strand (participates in β ladder)trans-111.1138.1-175.3-75.9-176.3179.3-178.70111.4H858 C859 C862H858-K864 WeakPolarHBondContact CA-O 3.45Å; C859-K864 PolarHBondContact N-O 2.73Å; C862-K864 HydrophobicContact CB-CB 4.34Å; C862-K864 HydrophobicContact CB-CD 4.2Å; C862-K864 HydrophobicContact CB-CG 4.1Å; C862-K864 PolarHBondContact O-N 2.8Å
865N80.6Confident79.7Confident58 Ų5851 Ų5131%0.3126%0.261SS..EExtended strand (participates in β ladder)trans-99.8139.3167.6-64.225000109.2D856 F857 H858D856-N865 HydrophobicContact CB-CB 4.49Å; D856-N865 PolarHBondContact OD2-ND2 2.85Å; F857-N865 CarbonylContact O-C 3.55Å; F857-N865 VanDerWaalsContact O-CA 3.28Å; F857-N865 WeakPolarHBondContact O-CA 3.4Å; H858-N865 PolarHBondContact ND1-OD1 2.75Å
866C81.5Confident81.3Confident8 Ų849.5 Ų49.55%0.05425%0.252CS..EExtended strand (participates in β ladder)trans-123.6124.3175.8-64.10000107.8V855 F857 S868 Q871 W872V855-C866 VanDerWaalsContact O-O 3.08Å; F857-C866 HydrophobicContact CB-CB 4.33Å; F857-C866 PolarHBondContact N-O 3.36Å; F857-C866 PolarHBondContact O-N 2.95Å; C866-S868 VanDerWaalsContact C-N 3.26Å; C866-S868 PolarHBondContact O-N 3.32Å; C866-Q871 HydrophobicContact CB-CB 3.83Å; C866-W872 HydrophobicContact CB-CB 4.44Å; C866-W872 HydrophobicContact CB-CE3 4.35Å
867N77.1Confident82.1Confident92 Ų9249.9 Ų49.949%0.49226%0.259SS..SBendtrans-86.37.3-169.2738.6000114.5V855 Q871V855-N867 CarbonylContact O-C 3.54Å; V855-N867 VanDerWaalsContact O-CA 3.26Å; V855-N867 WeakPolarHBondContact O-CA 3.25Å; N867-Q871 PolarHBondContact OD1-NE2 2.86Å; N867-Q871 PolarHBondContact OD1-OE1 3.25Å; N867-Q871 VanDerWaalsContact OD1-OE1 3.06Å
868S79.6Confident82.3Confident42 Ų4250.8 Ų50.829%0.29427%0.267SS..SBendtrans-164.9152.3-175.450.40000111.5C866 K870 Q871 W872C866-S868 VanDerWaalsContact C-N 3.26Å; C866-S868 PolarHBondContact O-N 3.32Å; S868-K870 PolarHBondContact O-N 2.7Å; S868-Q871 WeakPolarHBondContact O-CB 3.27Å; S868-Q871 PolarHBondContact O-N 3.3Å; S868-Q871 WeakPolarHBondContact OG-CG 3.29Å; S868-W872 PolarHBondContact O-N 2.93Å
869E81.1Confident82.2Confident84 Ų8457.9 Ų57.939%0.39330%0.3SS..Hα-helixtrans-57.5-36.4179.7-175.157.6-136.700112F857 Q871 W872 Q873F857-E869 HydrophobicContact CE2-CB 4.3Å; F857-E869 HydrophobicContact CZ-CB 4.5Å; F857-E869 WeakPolarHBondContact CZ-OE2 3.49Å; E869-Q871 VanDerWaalsContact C-N 3.34Å; E869-Q871 PolarHBondContact O-N 2.87Å; E869-W872 WeakPolarHBondContact O-CB 3.33Å; E869-W872 PolarHBondContact O-N 3.24Å; E869-W872 VanDerWaalsContact O-N 3.16Å; E869-Q873 HydrophobicContact CG-CG 4.41Å; E869-Q873 WeakPolarHBondContact O-CG 3.24Å; E869-Q873 PolarHBondContact O-N 3.33Å; E869-Q873 WeakPolarHBondContact OE1-CG 3.31Å; E869-Q873 PolarHBondContact OE1-NE2 2.85Å
870K81.8Confident82.1Confident188 Ų18865.9 Ų65.982%0.81734%0.335SS*.Hα-helixtrans-64.1-36.9176.2-67.4-175.7179179.60112.6S868 G874S868-K870 PolarHBondContact O-N 2.7Å; K870-G874 PolarHBondContact O-N 2.72Å; K870-G874 VanDerWaalsContact O-N 3.1Å
871Q85Confident82.4Confident90 Ų9062 Ų6242%0.42132%0.321SS..Hα-helixtrans-71.3-37.5172-73.5-178.85.800111.6C866 N867 S868 E869 G874 H875C866-Q871 HydrophobicContact CB-CB 3.83Å; N867-Q871 PolarHBondContact OD1-NE2 2.86Å; N867-Q871 PolarHBondContact OD1-OE1 3.25Å; N867-Q871 VanDerWaalsContact OD1-OE1 3.06Å; S868-Q871 WeakPolarHBondContact O-CB 3.27Å; S868-Q871 PolarHBondContact O-N 3.3Å; S868-Q871 WeakPolarHBondContact OG-CG 3.29Å; E869-Q871 VanDerWaalsContact C-N 3.34Å; E869-Q871 PolarHBondContact O-N 2.87Å; Q871-G874 PolarHBondContact O-N 3.33Å; Q871-H875 WeakPolarHBondContact O-CB 3.43Å; Q871-H875 PolarHBondContact O-N 3.2Å
872W86.3Confident82.7Confident2 Ų261.5 Ų61.51%0.00832%0.317CS..Hα-helixtrans-60.7-53176.2-178.2-109.9000111.7P580 F857 C859 C866 S868 E869 G874 H875 I876 H951 L952P580-W872 HydrophobicContact CB-CD2 4.37Å; P580-W872 VanDerWaalsContact CB-CE2 3.49Å; P580-W872 HydrophobicContact CB-CH2 4.14Å; P580-W872 HydrophobicContact CB-CZ2 3.37Å; P580-W872 HydrophobicContact CG-CZ2 4.39Å; F857-W872 HydrophobicContact CB-CB 4.38Å; F857-W872 HydrophobicContact CB-CD2 4Å; F857-W872 HydrophobicContact CB-CE3 3.57Å; F857-W872 HydrophobicContact CB-CG 4.33Å; F857-W872 HydrophobicContact CB-CZ3 4.17Å; F857-W872 HydrophobicContact CD2-CB 4.15Å; F857-W872 HydrophobicContact CG-CB 4.24Å; F857-W872 HydrophobicContact CG-CD2 4.42Å; F857-W872 HydrophobicContact CG-CE3 4.45Å; F857-W872 HydrophobicContact CG-CG 4.32Å; C859-W872 HydrophobicContact CB-CH2 3.88Å; C859-W872 HydrophobicContact CB-CZ3 3.69Å; C866-W872 HydrophobicContact CB-CB 4.44Å; C866-W872 HydrophobicContact CB-CE3 4.35Å; S868-W872 PolarHBondContact O-N 2.93Å; E869-W872 WeakPolarHBondContact O-CB 3.33Å; E869-W872 PolarHBondContact O-N 3.24Å; E869-W872 VanDerWaalsContact O-N 3.16Å; W872-G874 VanDerWaalsContact C-N 3.34Å; W872-G874 PolarHBondContact O-N 2.98Å; W872-H875 WeakPolarHBondContact O-CA 3.39Å; W872-H875 WeakPolarHBondContact O-CB 3.35Å; W872-H875 PolarHBondContact O-N 2.91Å; W872-I876 HydrophobicContact CD2-CG2 4.19Å; W872-I876 HydrophobicContact CH2-CG2 4.28Å; W872-I876 HydrophobicContact CZ2-CG2 3.74Å; W872-I876 PolarHBondContact O-N 3.41Å; W872-H951 PolarHBondContact NE1-O 3.3Å; W872-L952 HydrophobicContact CH2-CD2 3.79Å; W872-L952 HydrophobicContact CZ2-CD2 3.95Å
873Q85.1Confident82.8Confident80 Ų8065 Ų6537%0.37433%0.332SS..Hα-helixtrans-59.4-42.2175.9-65.6-60.6-33.800112.1E869 H875 S877E869-Q873 HydrophobicContact CG-CG 4.41Å; E869-Q873 WeakPolarHBondContact O-CG 3.24Å; E869-Q873 PolarHBondContact O-N 3.33Å; E869-Q873 WeakPolarHBondContact OE1-CG 3.31Å; E869-Q873 PolarHBondContact OE1-NE2 2.85Å; Q873-H875 VanDerWaalsContact C-N 3.28Å; Q873-H875 PolarHBondContact O-N 3.4Å; Q873-S877 WeakPolarHBondContact O-CB 3.47Å; Q873-S877 PolarHBondContact O-N 2.95Å; Q873-S877 VanDerWaalsContact O-N 3.12Å; Q873-S877 PolarHBondContact O-OG 3.49Å
874G84.5Confident83Confident46 Ų4669.2 Ų69.247%0.47435%0.348SS..Hα-helixtrans-65.7-26.1173.700000114.2K870 Q871 W872K870-G874 PolarHBondContact O-N 2.72Å; K870-G874 VanDerWaalsContact O-N 3.1Å; Q871-G874 PolarHBondContact O-N 3.33Å; W872-G874 VanDerWaalsContact C-N 3.34Å; W872-G874 PolarHBondContact O-N 2.98Å
875H86.6Confident83Confident10 Ų1064.5 Ų64.55%0.04633%0.328CS..Hα-helixtrans-77.5-51.6173.5178.9-1.3000111.5C859 C862 Q871 W872 Q873 S877 S878 H881C859-H875 WeakPolarHBondContact CB-NE2 3.41Å; C862-H875 VanDerWaalsContact SG-CE1 3.55Å; Q871-H875 WeakPolarHBondContact O-CB 3.43Å; Q871-H875 PolarHBondContact O-N 3.2Å; W872-H875 WeakPolarHBondContact O-CA 3.39Å; W872-H875 WeakPolarHBondContact O-CB 3.35Å; W872-H875 PolarHBondContact O-N 2.91Å; Q873-H875 VanDerWaalsContact C-N 3.28Å; Q873-H875 PolarHBondContact O-N 3.4Å; H875-S877 VanDerWaalsContact C-N 3.32Å; H875-S877 PolarHBondContact O-N 2.99Å; H875-S878 WeakPolarHBondContact O-CB 3.47Å; H875-S878 PolarHBondContact O-N 3.48Å; H875-S878 VanDerWaalsContact O-N 3.13Å; H875-S878 PolarHBondContact O-OG 3.08Å; H875-H881 AromaticContact CE1-CG 3.77Å; H875-H881 AromaticContact CE1-ND1 3.34Å; H875-H881 PolarHBondContact CE1-ND1 3.47Å; H875-H881 VanDerWaalsContact CE1-ND1 3.34Å; H875-H881 AromaticContact ND1-CG 3.93Å; H875-H881 AromaticContact ND1-ND1 3.93Å; H875-H881 WeakPolarHBondContact O-CB 3.42Å
876I87.6Confident82.8Confident4 Ų462 Ų622%0.02131%0.314CS..Hα-helixtrans-70.8-28.3-173.665.9178.6000112.9W872 S878 H881W872-I876 HydrophobicContact CD2-CG2 4.19Å; W872-I876 HydrophobicContact CH2-CG2 4.28Å; W872-I876 HydrophobicContact CZ2-CG2 3.74Å; W872-I876 PolarHBondContact O-N 3.41Å; I876-S878 VanDerWaalsContact C-N 3.29Å; I876-S878 PolarHBondContact O-N 2.88Å; I876-H881 PolarHBondContact O-CD2 3.48Å; I876-H881 VanDerWaalsContact O-CD2 3.31Å
877S84.4Confident82.1Confident62 Ų6265.8 Ų65.843%0.43433%0.331SS..THydrogen-bonded Turntrans-74.3-15.8172.555.70000113.8Q873 H875 K882Q873-S877 WeakPolarHBondContact O-CB 3.47Å; Q873-S877 PolarHBondContact O-N 2.95Å; Q873-S877 VanDerWaalsContact O-N 3.12Å; Q873-S877 PolarHBondContact O-OG 3.49Å; H875-S877 VanDerWaalsContact C-N 3.32Å; H875-S877 PolarHBondContact O-N 2.99Å; S877-K882 WeakPolarHBondContact O-CE 3.47Å
878S87Confident81.2Confident37 Ų3763.9 Ų63.926%0.25932%0.323SS..SBendtrans-70.9136.2-175.673.40000113H875 I876 K880 H881 K882H875-S878 WeakPolarHBondContact O-CB 3.47Å; H875-S878 PolarHBondContact O-N 3.48Å; H875-S878 VanDerWaalsContact O-N 3.13Å; H875-S878 PolarHBondContact O-OG 3.08Å; I876-S878 VanDerWaalsContact C-N 3.29Å; I876-S878 PolarHBondContact O-N 2.88Å; S878-K880 VanDerWaalsContact C-N 3.29Å; S878-K880 PolarHBondContact O-N 3.38Å; S878-H881 WeakPolarHBondContact O-CA 3.42Å; S878-H881 WeakPolarHBondContact O-CB 3.48Å; S878-H881 PolarHBondContact O-N 2.88Å; S878-K882 PolarHBondContact O-N 3.21Å
879E82.1Confident79.6Confident151 Ų15169.7 Ų69.771%0.70635%0.345SS*.Hα-helixtrans-53.6-43.2-178.3-174.1175.7-143.700112.7H881 K882 E883E879-H881 PolarHBondContact O-N 3.02Å; E879-K882 PolarHBondContact O-N 3.43Å; E879-K882 VanDerWaalsContact O-N 3.11Å; E879-E883 WeakPolarHBondContact O-CG 3.43Å; E879-E883 PolarHBondContact O-N 3.18Å
880K82.9Confident78Confident169 Ų16971.5 Ų71.574%0.73536%0.358SS*.Hα-helixtrans-63.2-21.7177.6-65.1-176.3178.7-179.50114.3S878S878-K880 VanDerWaalsContact C-N 3.29Å; S878-K880 PolarHBondContact O-N 3.38Å
881H84.6Confident76.7Confident2 Ų264 Ų641%0.00933%0.326CS..Hα-helixtrans-84.2-46.5171173.280.1000110.7C859 H875 I876 S878 E879 E883 K884 V885 L952C859-H881 PolarHBondContact SG-CE1 3.17Å; H875-H881 AromaticContact CE1-CG 3.77Å; H875-H881 AromaticContact CE1-ND1 3.34Å; H875-H881 PolarHBondContact CE1-ND1 3.47Å; H875-H881 VanDerWaalsContact CE1-ND1 3.34Å; H875-H881 AromaticContact ND1-CG 3.93Å; H875-H881 AromaticContact ND1-ND1 3.93Å; H875-H881 WeakPolarHBondContact O-CB 3.42Å; I876-H881 PolarHBondContact O-CD2 3.48Å; I876-H881 VanDerWaalsContact O-CD2 3.31Å; S878-H881 WeakPolarHBondContact O-CA 3.42Å; S878-H881 WeakPolarHBondContact O-CB 3.48Å; S878-H881 PolarHBondContact O-N 2.88Å; E879-H881 PolarHBondContact O-N 3.02Å; H881-E883 VanDerWaalsContact C-N 3.29Å; H881-E883 PolarHBondContact O-N 3.3Å; H881-K884 WeakPolarHBondContact O-CB 3.35Å; H881-K884 PolarHBondContact O-N 3.19Å; H881-V885 PolarHBondContact O-N 3.35Å; H881-L952 PolarHBondContact NE2-O 2.99Å
882K83.3Confident75.1Confident37 Ų3766 Ų6616%0.16134%0.336CS..Hα-helixtrans-55-43.9175-65.5-176.4176-170.40111.9S877 S878 E879 K884 V885 F886 D957 D959S877-K882 WeakPolarHBondContact O-CE 3.47Å; S878-K882 PolarHBondContact O-N 3.21Å; E879-K882 PolarHBondContact O-N 3.43Å; E879-K882 VanDerWaalsContact O-N 3.11Å; K882-K884 PolarHBondContact O-N 2.94Å; K882-V885 PolarHBondContact O-N 2.93Å; K882-F886 WeakPolarHBondContact O-CD2 3.41Å; K882-F886 PolarHBondContact O-N 3.48Å; K882-D957 WeakPolarHBondContact CE-OD2 3.4Å; K882-D957 IonicContact NZ-OD1 2.76Å; K882-D957 PolarHBondContact NZ-OD1 3.35Å; K882-D957 IonicContact NZ-OD2 2.73Å; K882-D957 PolarHBondContact NZ-OD2 3.16Å; K882-D959 PolarHBondContact NZ-O 2.87Å
883E80.4Confident73.3Confident84 Ų8475.6 Ų75.639%0.39337%0.374SS..Hα-helixtrans-58.3-47.6174.1-72-155.4113.500111.9E879 H881 V885 F886 H887 K962E879-E883 WeakPolarHBondContact O-CG 3.43Å; E879-E883 PolarHBondContact O-N 3.18Å; H881-E883 VanDerWaalsContact C-N 3.29Å; H881-E883 PolarHBondContact O-N 3.3Å; E883-V885 VanDerWaalsContact C-N 3.26Å; E883-V885 PolarHBondContact O-N 3.1Å; E883-F886 CarbonylContact O-C 3.58Å; E883-F886 PolarHBondContact O-N 3.41Å; E883-F886 VanDerWaalsContact O-N 3.1Å; E883-H887 WeakPolarHBondContact O-CB 3.31Å; E883-H887 PolarHBondContact O-N 3.17Å; E883-K962 IonicContact OE1-NZ 3.4Å; E883-K962 PolarHBondContact OE1-NZ 3.32Å
884K81.1Confident72.3Confident100 Ų10074.5 Ų74.544%0.43537%0.374SS..Hα-helixtrans-61-29.7176.7-83.6-173.6155.9-149.90114M861 C862 H881 K882 F886M861-K884 WeakPolarHBondContact CE-O 3.49Å; C862-K884 VanDerWaalsContact SG-CD 3.55Å; H881-K884 WeakPolarHBondContact O-CB 3.35Å; H881-K884 PolarHBondContact O-N 3.19Å; K882-K884 PolarHBondContact O-N 2.94Å; K884-F886 VanDerWaalsContact C-N 3.33Å
885V80.3Confident71.8Confident8 Ų873.7 Ų73.75%0.04836%0.357CS..Hα-helixtrans-68.4-31.7175.9173.20000112.2H881 K882 E883 A947 I953H881-V885 PolarHBondContact O-N 3.35Å; K882-V885 PolarHBondContact O-N 2.93Å; E883-V885 VanDerWaalsContact C-N 3.26Å; E883-V885 PolarHBondContact O-N 3.1Å; V885-A947 HydrophobicContact CG1-CB 3.67Å; V885-I953 HydrophobicContact CG1-CD1 4.3Å
886F76.1Confident71.2Confident5 Ų582 Ų822%0.02240%0.395CS..Hα-helixtrans-109.42.2-178.3-54.5-66.1000114.6K882 E883 K884 L940 L944 I953 F960 Y963 F967K882-F886 WeakPolarHBondContact O-CD2 3.41Å; K882-F886 PolarHBondContact O-N 3.48Å; E883-F886 CarbonylContact O-C 3.58Å; E883-F886 PolarHBondContact O-N 3.41Å; E883-F886 VanDerWaalsContact O-N 3.1Å; K884-F886 VanDerWaalsContact C-N 3.33Å; F886-L940 HydrophobicContact CB-CD2 4.12Å; F886-L940 HydrophobicContact CD1-CD2 4.01Å; F886-L944 HydrophobicContact CE1-CB 4.2Å; F886-L944 HydrophobicContact CE1-CD1 4.12Å; F886-L944 HydrophobicContact CZ-CD1 3.81Å; F886-I953 HydrophobicContact CZ-CD1 4.4Å; F886-F960 HydrophobicContact CE2-CB 3.81Å; F886-F960 AromaticContact CE2-CD1 3.59Å; F886-F960 HydrophobicContact CE2-CD1 3.59Å; F886-F960 HydrophobicContact CE2-CE1 4.44Å; F886-F960 AromaticContact CE2-CG 3.85Å; F886-F960 HydrophobicContact CE2-CG 3.85Å; F886-F960 HydrophobicContact CZ-CB 4.27Å; F886-F960 AromaticContact CZ-CD1 3.73Å; F886-F960 HydrophobicContact CZ-CD1 3.73Å; F886-F960 HydrophobicContact CZ-CE1 4.24Å; F886-F960 AromaticContact CZ-CG 3.93Å; F886-F960 HydrophobicContact CZ-CG 3.93Å; F886-Y963 HydrophobicContact CB-CD1 4.11Å; F886-Y963 HydrophobicContact CB-CD2 3.88Å; F886-Y963 HydrophobicContact CB-CE1 3.75Å; F886-Y963 HydrophobicContact CB-CE2 3.5Å; F886-Y963 VanDerWaalsContact CB-CE2 3.5Å; F886-Y963 HydrophobicContact CB-CG 4.17Å; F886-Y963 VanDerWaalsContact CB-CZ 3.43Å; F886-Y963 AromaticContact CD2-CD2 3.71Å; F886-Y963 HydrophobicContact CD2-CD2 3.71Å; F886-Y963 HydrophobicContact CD2-CE2 4.04Å; F886-Y963 HydrophobicContact CD2-CG 4.18Å; F886-Y963 HydrophobicContact CG-CD1 4.41Å; F886-Y963 AromaticContact CG-CD2 3.96Å; F886-Y963 HydrophobicContact CG-CD2 3.96Å; F886-Y963 HydrophobicContact CG-CE2 4.09Å; F886-Y963 HydrophobicContact CG-CG 4.13Å; F886-Y963 PolarHBondContact O-OH 2.91Å; F886-F967 HydrophobicContact CD1-CZ 4.49Å; F886-F967 AromaticContact CE1-CE2 3.99Å; F886-F967 HydrophobicContact CE1-CE2 3.99Å; F886-F967 AromaticContact CE1-CZ 3.95Å; F886-F967 HydrophobicContact CE1-CZ 3.95Å; F886-F967 HydrophobicContact CZ-CE2 4.16Å
887H67.4Low70.9Confident88 Ų8885 Ų8541%0.40741%0.409SS..  trans-133.487.2-177.6-172.4-66.2000111.7E883E883-H887 WeakPolarHBondContact O-CB 3.31Å; E883-H887 PolarHBondContact O-N 3.17Å
888T56.9Low70.9Confident53 Ų5384.3 Ų84.333%0.32540%0.397SS..  trans-83.2140.5161.2270000109.7D890 D891 K943T888-D890 PolarHBondContact O-N 3.3Å; T888-D891 WeakPolarHBondContact O-CB 3.5Å; T888-D891 PolarHBondContact O-N 2.83Å; T888-D891 PolarHBondContact OG1-OD1 3.3Å; T888-K943 PolarHBondContact OG1-NZ 3.47Å
889E46.5Very low70.6Confident163 Ų16385.5 Ų85.576%0.76240%0.398SS*.G310 helixtrans-65.1-28.2-175.6-62.1-175.4172.700112D891 Q892E889-D891 VanDerWaalsContact C-N 3.3Å; E889-D891 PolarHBondContact O-N 3.48Å; E889-Q892 PolarHBondContact O-N 2.96Å
890D48Very low70.6Confident122 Ų12278.5 Ų78.565%0.65237%0.365SS*.G310 helixtrans-68.2-19.8173.1-54.2-76.5000114.6T888 Q892T888-D890 PolarHBondContact O-N 3.3Å; D890-Q892 PolarHBondContact O-N 3.36Å; D890-Q892 VanDerWaalsContact O-N 3.16Å
891D54.5Low70.3Confident30 Ų3073.1 Ų73.116%0.1635%0.347CS..G310 helixtrans-67.7-12.9177.3-79.430.5000111.9T888 E889 Y893 K943T888-D891 WeakPolarHBondContact O-CB 3.5Å; T888-D891 PolarHBondContact O-N 2.83Å; T888-D891 PolarHBondContact OG1-OD1 3.3Å; E889-D891 VanDerWaalsContact C-N 3.3Å; E889-D891 PolarHBondContact O-N 3.48Å; D891-Y893 VanDerWaalsContact C-N 3.29Å; D891-Y893 PolarHBondContact O-N 2.93Å; D891-K943 IonicContact OD1-NZ 3.43Å; D891-K943 PolarHBondContact OD1-NZ 3.12Å; D891-K943 IonicContact OD2-NZ 2.82Å; D891-K943 PolarHBondContact OD2-NZ 2.9Å
892Q51Low70Confident134 Ų13474 Ų7463%0.62636%0.356SS*.G310 helixtrans-77.2-11.5-173.6-161.1161.25700114.1E889 D890E889-Q892 PolarHBondContact O-N 2.96Å; D890-Q892 PolarHBondContact O-N 3.36Å; D890-Q892 VanDerWaalsContact O-N 3.16Å
893Y48.5Very low69.8Low203 Ų20379.4 Ų79.480%0.79638%0.377SS*.SBendtrans-123.1-1-175.8-60.4-80.4000115D891D891-Y893 VanDerWaalsContact C-N 3.29Å; D891-Y893 PolarHBondContact O-N 2.93Å
894C63.3Low70Confident57 Ų5777.7 Ų77.739%0.38537%0.368SS..SBendtrans-102.3-3.7-17764.60000115
895W74.3Confident70.2Confident29 Ų2975.3 Ų75.311%0.1136%0.364CS..  trans-118.5128177.7-53.5112.5000109.1E932 E935 R936 A939W895-E932 WeakPolarHBondContact CA-OE1 3.46Å; W895-E932 WeakPolarHBondContact CB-OE1 3.49Å; W895-E932 HydrophobicContact CE3-CG 3.61Å; W895-E932 HydrophobicContact CZ3-CG 4.17Å; W895-E935 HydrophobicContact CH2-CB 4.34Å; W895-E935 HydrophobicContact CZ3-CB 4Å; W895-R936 VanDerWaalsContact CB-NH1 3.29Å; W895-R936 VanDerWaalsContact CD1-NH2 3.28Å; W895-R936 HydrophobicContact CD2-CB 4.19Å; W895-R936 HydrophobicContact CD2-CG 3.99Å; W895-R936 HydrophobicContact CE3-CB 4.01Å; W895-R936 HydrophobicContact CE3-CG 4.33Å; W895-R936 VanDerWaalsContact CG-CZ 3.46Å; W895-R936 VanDerWaalsContact CH2-CA 3.49Å; W895-R936 HydrophobicContact CH2-CB 3.83Å; W895-R936 HydrophobicContact CH2-CG 4.23Å; W895-R936 HydrophobicContact CZ2-CB 4.02Å; W895-R936 HydrophobicContact CZ2-CG 3.89Å; W895-R936 HydrophobicContact CZ3-CB 3.82Å; W895-R936 HydrophobicContact CZ3-CG 4.44Å; W895-A939 HydrophobicContact CH2-CB 4.19Å; W895-A939 HydrophobicContact CZ2-CB 4.15Å
896Q75.1Confident70.4Confident183 Ų18377.1 Ų77.186%0.85537%0.373SS*.  trans-98.6-22.7-174-53.1-17330.500112.8E932Q896-E932 WeakPolarHBondContact CA-OE2 3.41Å; Q896-E932 WeakPolarHBondContact CB-OE2 3.49Å; Q896-E932 VanDerWaalsContact N-CD 3.27Å; Q896-E932 PolarHBondContact N-OE1 2.83Å; Q896-E932 VanDerWaalsContact N-OE1 3.09Å; Q896-E932 PolarHBondContact N-OE2 2.78Å
897H81.6Confident70.9Confident69 Ų6977.1 Ų77.132%0.31937%0.373SS..SBendtrans-97.9170.4-178.9-71.5-79.1000112.5E929 E932H897-E929 HydrophobicContact CB-CB 4.32Å; H897-E929 HydrophobicContact CB-CG 3.88Å; H897-E929 IonicContact CG-OE1 2.75Å; H897-E929 IonicContact ND1-OE1 3.73Å; H897-E932 WeakPolarHBondContact CB-OE1 3.27Å; H897-E932 IonicContact CD2-OE2 3.57Å; H897-E932 PolarHBondContact CD2-OE2 2.88Å; H897-E932 PolarHBondContact N-OE1 2.86Å; H897-E932 PolarHBondContact N-OE2 2.78Å
898R83.3Confident71.5Confident46 Ų4679 Ų7917%0.17439%0.386CS..PPolyproline II helixtrans-66.4155.4178.671.3178.3170.4-74.7-2.4110.3F923 H925 E929 W933R898-F923 PolarHBondContact NH2-O 2.86Å; R898-H925 PolarHBondContact NH1-ND1 2.88Å; R898-H925 PolarHBondContact NH2-ND1 3.38Å; R898-E929 IonicContact CZ-OE1 2.74Å; R898-E929 IonicContact CZ-OE2 3.41Å; R898-E929 IonicContact NH1-OE1 3.22Å; R898-E929 PolarHBondContact NH1-OE1 3.05Å; R898-E929 IonicContact NH1-OE2 3.26Å; R898-E929 PolarHBondContact NH1-OE2 2.68Å; R898-E929 IonicContact NH2-OE2 2.69Å; R898-E929 PolarHBondContact NH2-OE2 2.77Å; R898-E929 VanDerWaalsContact NH2-OE2 3.08Å; R898-W933 HydrophobicContact CG-CZ2 3.85Å; R898-W933 PolarHBondContact O-NE1 3.36Å
899F81.4Confident72.7Confident63 Ų6382.9 Ų82.928%0.27640%0.395SS..PPolyproline II helixtrans-60.2142.7170.8-170.4-101.9000110.3L940 Y963 F965 L966F899-L940 HydrophobicContact CE2-CD1 4.3Å; F899-Y963 HydrophobicContact CE2-CD1 4.29Å; F899-Y963 AromaticContact CE2-CE1 3.96Å; F899-Y963 HydrophobicContact CE2-CE1 3.96Å; F899-Y963 AromaticContact CZ-CD1 3.73Å; F899-Y963 HydrophobicContact CZ-CD1 3.73Å; F899-Y963 AromaticContact CZ-CE1 3.76Å; F899-Y963 HydrophobicContact CZ-CE1 3.76Å; F899-F965 HydrophobicContact CE1-CE1 4.17Å; F899-F965 HydrophobicContact CE1-CZ 4.24Å; F899-L966 HydrophobicContact CZ-CD1 3.93Å
900P82.9Confident74.3Confident3 Ų380.1 Ų80.12%0.01938%0.378CS..PPolyproline II helixtrans-59.1148.4177.5-1929.4000111.8F904 W933 F965 L966P900-F904 HydrophobicContact CB-CZ 4.47Å; P900-W933 HydrophobicContact CB-CD2 3.79Å; P900-W933 HydrophobicContact CB-CE3 3.86Å; P900-W933 HydrophobicContact CB-CG 4.11Å; P900-W933 HydrophobicContact CB-CZ3 4.32Å; P900-W933 HydrophobicContact CG-CB 3.9Å; P900-W933 HydrophobicContact CG-CD2 3.9Å; P900-W933 HydrophobicContact CG-CE3 4.41Å; P900-W933 HydrophobicContact CG-CG 3.66Å; P900-F965 HydrophobicContact CB-CE2 4.08Å; P900-F965 HydrophobicContact CB-CZ 3.98Å; P900-F965 VanDerWaalsContact O-CZ 3.23Å; P900-F965 WeakPolarHBondContact O-CZ 3.32Å; P900-L966 HydrophobicContact CB-CD2 4.16Å; P900-L966 HydrophobicContact CG-CD2 4.21Å
901T76.4Confident75.7Confident57 Ų5779.5 Ų79.535%0.3537%0.373SS..  trans-128.5-0.9-171.545.50000113.7C921 K922T901-C921 PolarHBondContact OG1-O 3.35Å; T901-K922 WeakPolarHBondContact OG1-CA 3.12Å
902G77.4Confident76.8Confident19 Ų1984.9 Ų84.920%0.19640%0.401CS..SBendtrans179.1-106.8-172.400000112.9K922 F965G902-K922 CarbonylContact C-O 3.23Å; G902-K922 WeakPolarHBondContact CA-O 3.47Å; G902-F965 WeakPolarHBondContact O-CD2 3.34Å
903Y79.9Confident77.7Confident152 Ų15281.2 Ų81.260%0.59640%0.399SS*.  trans-100.5145-169-60.6-79.7000112.6S905 K922 F923Y903-S905 PolarHBondContact O-N 2.6Å; Y903-K922 PolarHBondContact N-O 3.08Å; Y903-F923 HydrophobicContact CD2-CD1 4.35Å; Y903-F923 AromaticContact CD2-CE1 3.63Å; Y903-F923 HydrophobicContact CD2-CE1 3.63Å; Y903-F923 AromaticContact CD2-CZ 3.82Å; Y903-F923 HydrophobicContact CD2-CZ 3.82Å; Y903-F923 HydrophobicContact CE2-CZ 4.44Å; Y903-F923 AromaticContact CG-CE1 3.98Å; Y903-F923 HydrophobicContact CG-CE1 3.98Å
904F84.1Confident78.8Confident48 Ų4877.2 Ų77.221%0.21140%0.397CS..SBendtrans-82.361.1173.8-66.1-87.5000111P900 L930 W933 E934 R937 L966P900-F904 HydrophobicContact CB-CZ 4.47Å; F904-L930 VanDerWaalsContact C-CD1 3.47Å; F904-L930 HydrophobicContact CB-CD1 4.03Å; F904-L930 HydrophobicContact CD1-CD1 4.35Å; F904-W933 HydrophobicContact CD1-CB 4.14Å; F904-W933 HydrophobicContact CE1-CB 3.88Å; F904-W933 WeakPolarHBondContact CE1-O 3.3Å; F904-E934 HydrophobicContact CD1-CG 3.79Å; F904-E934 HydrophobicContact CE1-CG 4.43Å; F904-R937 HydrophobicContact CE1-CB 3.88Å; F904-R937 HydrophobicContact CE1-CG 4.35Å; F904-R937 HydrophobicContact CE2-CG 4.45Å; F904-R937 HydrophobicContact CZ-CB 3.78Å; F904-R937 HydrophobicContact CZ-CG 3.9Å; F904-L966 HydrophobicContact CE2-CD2 4.24Å; F904-L966 HydrophobicContact CZ-CD2 3.67Å
905S84.3Confident79.6Confident50 Ų5075.1 Ų75.135%0.3538%0.382SS..SBendtrans-146.4161.1171.859.80000110.8Y903 F923 A924Y903-S905 PolarHBondContact O-N 2.6Å; S905-F923 VanDerWaalsContact OG-CD1 3.29Å; S905-F923 WeakPolarHBondContact OG-CD1 3.48Å; S905-A924 PolarHBondContact O-N 3.27Å
906I85.6Confident79.5Confident46 Ų4678.9 Ų78.924%0.23641%0.411CS..BIsolated β-bridgetrans-77.2145-178.1-54.6160000109.4D908 M911 A924 N927 L930I906-D908 PolarHBondContact O-N 2.88Å; I906-M911 HydrophobicContact CD1-CE 4.26Å; I906-M911 HydrophobicContact CG2-CE 3.94Å; I906-M911 HydrophobicContact CG2-CG 3.81Å; I906-M911 HydrophobicContact CG2-SD 3.64Å; I906-A924 CarbonylContact C-O 3.4Å; I906-A924 WeakPolarHBondContact CA-O 3.43Å; I906-N927 VanDerWaalsContact CD1-OD1 3.25Å; I906-N927 WeakPolarHBondContact CD1-OD1 3.47Å; I906-L930 HydrophobicContact CG1-CD2 3.97Å
907C86.3Confident79.3Confident5 Ų573.6 Ų73.63%0.03439%0.386CS..  trans-77.8112.6176.1-171.30000111.3R909 Y910 M911 F923 A924C907-R909 PolarHBondContact O-N 3.13Å; C907-Y910 WeakPolarHBondContact O-CA 3.2Å; C907-Y910 WeakPolarHBondContact O-CB 3.35Å; C907-Y910 PolarHBondContact O-N 3.17Å; C907-M911 PolarHBondContact O-N 2.97Å; C907-M911 VanDerWaalsContact O-N 3.08Å; C907-F923 HydrophobicContact CB-CB 3.69Å; C907-A924 PolarHBondContact N-O 2.61Å
908D81.4Confident79Confident126 Ų12671.6 Ų71.667%0.67438%0.384SS*.Hα-helixtrans-56.4-35.5176.4-51.1-53.9000112.5I906 Y910 M911 N912I906-D908 PolarHBondContact O-N 2.88Å; D908-Y910 VanDerWaalsContact C-N 3.27Å; D908-Y910 PolarHBondContact O-N 3.24Å; D908-M911 PolarHBondContact O-N 3.04Å; D908-N912 WeakPolarHBondContact O-CB 3.22Å; D908-N912 VanDerWaalsContact O-CG 3.27Å; D908-N912 PolarHBondContact O-N 3.27Å
909R81.7Confident78.4Confident136 Ų13676.1 Ų76.151%0.51341%0.411SS..Hα-helixtrans-68.2-25.5176.2-55.8-176.5-169.7150.72.2113.1C907 T914 E917C907-R909 PolarHBondContact O-N 3.13Å; R909-T914 CarbonylContact O-C 3.22Å; R909-T914 VanDerWaalsContact O-C 3.23Å; R909-T914 PolarHBondContact O-N 3.42Å; R909-E917 IonicContact CZ-OE1 2.7Å; R909-E917 IonicContact NH1-OE1 2.92Å; R909-E917 PolarHBondContact NH1-OE1 2.88Å
910Y79.8Confident77.9Confident105 Ų10577.3 Ų77.341%0.41243%0.428SS..Hα-helixtrans-77.4-42.1172.1-178.9-98.9000111.1C907 D908 N912 G913 H925C907-Y910 WeakPolarHBondContact O-CA 3.2Å; C907-Y910 WeakPolarHBondContact O-CB 3.35Å; C907-Y910 PolarHBondContact O-N 3.17Å; D908-Y910 VanDerWaalsContact C-N 3.27Å; D908-Y910 PolarHBondContact O-N 3.24Å; Y910-N912 PolarHBondContact O-N 3.2Å; Y910-G913 PolarHBondContact O-N 2.59Å; Y910-H925 HydrophobicContact CD1-CB 3.88Å; Y910-H925 HydrophobicContact CD2-CB 3.7Å; Y910-H925 AromaticContact CD2-CD2 3.81Å; Y910-H925 AromaticContact CD2-CG 3.6Å; Y910-H925 HydrophobicContact CE1-CB 3.89Å; Y910-H925 WeakPolarHBondContact CE1-O 3.06Å; Y910-H925 HydrophobicContact CE2-CB 3.73Å; Y910-H925 HydrophobicContact CG-CB 3.77Å; Y910-H925 AromaticContact CG-CD2 3.72Å; Y910-H925 AromaticContact CG-CG 3.82Å
911M76.6Confident77.9Confident109 Ų10977.2 Ų77.254%0.53743%0.427SS..Hα-helixtrans-58.8-36.5173-58.4-57.7-114.400111.4I906 C907 D908 G913I906-M911 HydrophobicContact CD1-CE 4.26Å; I906-M911 HydrophobicContact CG2-CE 3.94Å; I906-M911 HydrophobicContact CG2-CG 3.81Å; I906-M911 HydrophobicContact CG2-SD 3.64Å; C907-M911 PolarHBondContact O-N 2.97Å; C907-M911 VanDerWaalsContact O-N 3.08Å; D908-M911 PolarHBondContact O-N 3.04Å; M911-G913 PolarHBondContact O-N 3.31Å
912N78.8Confident78.2Confident142 Ų14280.1 Ų80.176%0.75944%0.435SS*.THydrogen-bonded Turntrans-8016.8174.7-63.8-13.4000114.2D908 Y910D908-N912 WeakPolarHBondContact O-CB 3.22Å; D908-N912 VanDerWaalsContact O-CG 3.27Å; D908-N912 PolarHBondContact O-N 3.27Å; Y910-N912 PolarHBondContact O-N 3.2Å
913G68.9Low78.5Confident57 Ų5782.6 Ų82.659%0.58844%0.44SS*.THydrogen-bonded Turntrans108.2-32.816200000116.9Y910 M911Y910-G913 PolarHBondContact O-N 2.59Å; M911-G913 PolarHBondContact O-N 3.31Å
914T72.6Confident78.8Confident120 Ų12075.3 Ų75.374%0.73641%0.412SS*.  trans-153.4119.7173-390000112.4R909 P916R909-T914 CarbonylContact O-C 3.22Å; R909-T914 VanDerWaalsContact O-C 3.23Å; R909-T914 PolarHBondContact O-N 3.42Å; T914-P916 WeakPolarHBondContact O-CD 3.47Å
915C78.7Confident78.9Confident12 Ų1274.4 Ų74.48%0.08141%0.408CS..  trans-83.9120.1170-178.30000111.3E917 G918 H925C915-E917 VanDerWaalsContact C-N 3.25Å; C915-E917 PolarHBondContact O-N 3.04Å; C915-G918 PolarHBondContact O-N 2.96Å; C915-H925 WeakPolarHBondContact CB-NE2 3.3Å; C915-H925 PolarHBondContact SG-NE2 3.26Å
916P72.6Confident79Confident109 Ų10972.6 Ų72.671%0.70840%0.397SS*.THydrogen-bonded Turntrans-71.6-17.2-178.529.7-36000113.8T914T914-P916 WeakPolarHBondContact O-CD 3.47Å
917E70.5Confident78.9Confident71 Ų7175.7 Ų75.733%0.33241%0.414SS..THydrogen-bonded Turntrans-83.8-16.9178.4-64.8168.6-153.900112.2R909 C915 N919 S920 C921R909-E917 IonicContact CZ-OE1 2.7Å; R909-E917 IonicContact NH1-OE1 2.92Å; R909-E917 PolarHBondContact NH1-OE1 2.88Å; C915-E917 VanDerWaalsContact C-N 3.25Å; C915-E917 PolarHBondContact O-N 3.04Å; E917-N919 PolarHBondContact O-N 3.42Å; E917-S920 PolarHBondContact O-N 2.74Å; E917-S920 PolarHBondContact O-OG 3.25Å; E917-C921 HydrophobicContact CB-CB 3.81Å; E917-C921 PolarHBondContact O-N 2.88Å
918G75.6Confident78.8Confident27 Ų2778.7 Ų78.728%0.27844%0.44SS..G310 helixtrans49.9-124.8175.300000113.1C915 S920 C921 H925C915-G918 PolarHBondContact O-N 2.96Å; G918-S920 PolarHBondContact O-N 2.85Å; G918-C921 VanDerWaalsContact O-CB 3.26Å; G918-C921 WeakPolarHBondContact O-CB 3.25Å; G918-C921 PolarHBondContact O-N 3.11Å; G918-C921 VanDerWaalsContact O-N 3.16Å; G918-H925 PolarHBondContact O-CE1 3.46Å
919N70.9Confident79.1Confident141 Ų14173.2 Ų73.275%0.75441%0.41SS*.G310 helixtrans-69.1-12.9-178.3-708.8000114.6E917E917-N919 PolarHBondContact O-N 3.42Å
920S72.1Confident79.3Confident88 Ų8868 Ų6862%0.61539%0.392SS*.G310 helixtrans-97.91.1173.462.30000113.7E917 G918 K922E917-S920 PolarHBondContact O-N 2.74Å; E917-S920 PolarHBondContact O-OG 3.25Å; G918-S920 PolarHBondContact O-N 2.85Å; S920-K922 PolarHBondContact O-N 2.9Å
921C81.7Confident79.5Confident1 Ų168.4 Ų68.41%0.00740%0.397CS..  trans-57.7134.5174-174.50000110.8T901 E917 G918 F923 H925T901-C921 PolarHBondContact OG1-O 3.35Å; E917-C921 HydrophobicContact CB-CB 3.81Å; E917-C921 PolarHBondContact O-N 2.88Å; G918-C921 VanDerWaalsContact O-CB 3.26Å; G918-C921 WeakPolarHBondContact O-CB 3.25Å; G918-C921 PolarHBondContact O-N 3.11Å; G918-C921 VanDerWaalsContact O-N 3.16Å; C921-F923 PolarHBondContact O-N 3.39Å; C921-H925 WeakPolarHBondContact CB-NE2 3.36Å; C921-H925 PolarHBondContact SG-NE2 3.02Å
922K82.4Confident80.1Confident119 Ų11964 Ų6452%0.51738%0.376SS..SBendtrans-780.3-178.2-66.1-177.9-179.6177.60115T901 G902 Y903 S920T901-K922 WeakPolarHBondContact OG1-CA 3.12Å; G902-K922 CarbonylContact C-O 3.23Å; G902-K922 WeakPolarHBondContact CA-O 3.47Å; Y903-K922 PolarHBondContact N-O 3.08Å; S920-K922 PolarHBondContact O-N 2.9Å
923F84.1Confident80.5Confident70 Ų7057.3 Ų57.331%0.30734%0.34SS..SBendtrans-127.5159.1-172.5-61.4-78.9000109.9R898 Y903 S905 C907 C921 W933R898-F923 PolarHBondContact NH2-O 2.86Å; Y903-F923 HydrophobicContact CD2-CD1 4.35Å; Y903-F923 AromaticContact CD2-CE1 3.63Å; Y903-F923 HydrophobicContact CD2-CE1 3.63Å; Y903-F923 AromaticContact CD2-CZ 3.82Å; Y903-F923 HydrophobicContact CD2-CZ 3.82Å; Y903-F923 HydrophobicContact CE2-CZ 4.44Å; Y903-F923 AromaticContact CG-CE1 3.98Å; Y903-F923 HydrophobicContact CG-CE1 3.98Å; S905-F923 VanDerWaalsContact OG-CD1 3.29Å; S905-F923 WeakPolarHBondContact OG-CD1 3.48Å; C907-F923 HydrophobicContact CB-CB 3.69Å; C921-F923 PolarHBondContact O-N 3.39Å; F923-W933 WeakPolarHBondContact O-CH2 3.32Å
924A85.3Confident81.3Confident0 Ų058 Ų580%033%0.327CS..BIsolated β-bridgetrans-74.2143.7179.300000112S905 I906 C907 G926 E929 L930 W933S905-A924 PolarHBondContact O-N 3.27Å; I906-A924 CarbonylContact C-O 3.4Å; I906-A924 WeakPolarHBondContact CA-O 3.43Å; C907-A924 PolarHBondContact N-O 2.61Å; A924-G926 PolarHBondContact O-N 2.89Å; A924-E929 HydrophobicContact CB-CB 4.45Å; A924-E929 HydrophobicContact CB-CG 4.26Å; A924-L930 HydrophobicContact CB-CB 3.76Å; A924-L930 HydrophobicContact CB-CD1 4.29Å; A924-W933 HydrophobicContact CB-CD2 4.44Å; A924-W933 HydrophobicContact CB-CE3 4.12Å; A924-W933 HydrophobicContact CB-CH2 4.5Å; A924-W933 HydrophobicContact CB-CZ3 4.16Å
925H87.5Confident81.8Confident29 Ų2957.2 Ų57.213%0.13432%0.316CS..SBendtrans-96.563.5176.4-68.8168000110.9R898 Y910 C915 G918 C921 E929R898-H925 PolarHBondContact NH1-ND1 2.88Å; R898-H925 PolarHBondContact NH2-ND1 3.38Å; Y910-H925 HydrophobicContact CD1-CB 3.88Å; Y910-H925 HydrophobicContact CD2-CB 3.7Å; Y910-H925 AromaticContact CD2-CD2 3.81Å; Y910-H925 AromaticContact CD2-CG 3.6Å; Y910-H925 HydrophobicContact CE1-CB 3.89Å; Y910-H925 WeakPolarHBondContact CE1-O 3.06Å; Y910-H925 HydrophobicContact CE2-CB 3.73Å; Y910-H925 HydrophobicContact CG-CB 3.77Å; Y910-H925 AromaticContact CG-CD2 3.72Å; Y910-H925 AromaticContact CG-CG 3.82Å; C915-H925 WeakPolarHBondContact CB-NE2 3.3Å; C915-H925 PolarHBondContact SG-NE2 3.26Å; G918-H925 PolarHBondContact O-CE1 3.46Å; C921-H925 WeakPolarHBondContact CB-NE2 3.36Å; C921-H925 PolarHBondContact SG-NE2 3.02Å; H925-E929 WeakPolarHBondContact CA-OE2 3.32Å; H925-E929 WeakPolarHBondContact CB-OE2 3.33Å; H925-E929 IonicContact CG-OE2 3.04Å; H925-E929 PolarHBondContact N-OE2 2.91Å
926G85.6Confident82.1Confident12 Ų1258.6 Ų58.612%0.12432%0.319CS..SBendtrans104.5168.2177.500000114.3A924 A928 E929 L930A924-G926 PolarHBondContact O-N 2.89Å; G926-A928 PolarHBondContact O-N 3.41Å; G926-E929 PolarHBondContact O-N 3.23Å; G926-L930 PolarHBondContact O-N 2.84Å; G926-L930 VanDerWaalsContact O-N 3.12Å
927N84.5Confident82.6Confident111 Ų11154.8 Ų54.859%0.59429%0.291SS*.Hα-helixtrans-65.6-35.9-164.6-56.820.7000113.6I906 L930 H931I906-N927 VanDerWaalsContact CD1-OD1 3.25Å; I906-N927 WeakPolarHBondContact CD1-OD1 3.47Å; N927-L930 PolarHBondContact O-N 2.77Å; N927-H931 WeakPolarHBondContact O-CB 3.26Å; N927-H931 PolarHBondContact O-N 2.91Å
928A84.1Confident83.2Confident68 Ų6854.2 Ų54.256%0.56229%0.29SS*.Hα-helixtrans-65-39.8178.100000112.1G926 H931 E932G926-A928 PolarHBondContact O-N 3.41Å; A928-H931 PolarHBondContact O-N 3.3Å; A928-E932 PolarHBondContact O-N 2.99Å
929E87Confident83.5Confident10 Ų1053.3 Ų53.35%0.04728%0.279CS..Hα-helixtrans-68.1-41.2175.1-179.3159.1-107.800111.5H897 R898 A924 H925 G926 E932 W933H897-E929 HydrophobicContact CB-CB 4.32Å; H897-E929 HydrophobicContact CB-CG 3.88Å; H897-E929 IonicContact CG-OE1 2.75Å; H897-E929 IonicContact ND1-OE1 3.73Å; R898-E929 IonicContact CZ-OE1 2.74Å; R898-E929 IonicContact CZ-OE2 3.41Å; R898-E929 IonicContact NH1-OE1 3.22Å; R898-E929 PolarHBondContact NH1-OE1 3.05Å; R898-E929 IonicContact NH1-OE2 3.26Å; R898-E929 PolarHBondContact NH1-OE2 2.68Å; R898-E929 IonicContact NH2-OE2 2.69Å; R898-E929 PolarHBondContact NH2-OE2 2.77Å; R898-E929 VanDerWaalsContact NH2-OE2 3.08Å; A924-E929 HydrophobicContact CB-CB 4.45Å; A924-E929 HydrophobicContact CB-CG 4.26Å; H925-E929 WeakPolarHBondContact CA-OE2 3.32Å; H925-E929 WeakPolarHBondContact CB-OE2 3.33Å; H925-E929 IonicContact CG-OE2 3.04Å; H925-E929 PolarHBondContact N-OE2 2.91Å; G926-E929 PolarHBondContact O-N 3.23Å; E929-E932 PolarHBondContact O-N 3.41Å; E929-W933 HydrophobicContact CG-CD2 4.38Å; E929-W933 HydrophobicContact CG-CG 4.46Å; E929-W933 HydrophobicContact CG-CZ2 4.21Å; E929-W933 WeakPolarHBondContact O-CB 3.5Å; E929-W933 PolarHBondContact O-N 3.32Å
930L86.7Confident84Confident27 Ų2746.9 Ų46.914%0.14125%0.245CC..Hα-helixtrans-61.3-46.1175.2-178.657.1000111.3F904 I906 A924 G926 N927 E932 W933 E934F904-L930 VanDerWaalsContact C-CD1 3.47Å; F904-L930 HydrophobicContact CB-CD1 4.03Å; F904-L930 HydrophobicContact CD1-CD1 4.35Å; I906-L930 HydrophobicContact CG1-CD2 3.97Å; A924-L930 HydrophobicContact CB-CB 3.76Å; A924-L930 HydrophobicContact CB-CD1 4.29Å; G926-L930 PolarHBondContact O-N 2.84Å; G926-L930 VanDerWaalsContact O-N 3.12Å; N927-L930 PolarHBondContact O-N 2.77Å; L930-E932 PolarHBondContact O-N 2.93Å; L930-W933 WeakPolarHBondContact O-CB 3.36Å; L930-W933 PolarHBondContact O-N 3.3Å; L930-E934 HydrophobicContact CD1-CG 4.32Å; L930-E934 WeakPolarHBondContact O-CG 3.21Å; L930-E934 PolarHBondContact O-N 2.92Å
931H84.3Confident84.5Confident113 Ų11344.9 Ų44.952%0.52323%0.225SC..Hα-helixtrans-60.3-46178.4-170.2-77.4000112N927 A928 W933 E934 E935N927-H931 WeakPolarHBondContact O-CB 3.26Å; N927-H931 PolarHBondContact O-N 2.91Å; A928-H931 PolarHBondContact O-N 3.3Å; H931-W933 VanDerWaalsContact C-N 3.32Å; H931-W933 PolarHBondContact O-N 2.89Å; H931-E934 PolarHBondContact O-N 3.2Å; H931-E935 IonicContact CE1-OE1 3.51Å; H931-E935 PolarHBondContact CE1-OE1 2.97Å; H931-E935 IonicContact ND1-OE1 3.61Å; H931-E935 IonicContact ND1-OE2 2.76Å; H931-E935 PolarHBondContact O-N 2.82Å
932E87.9Confident84.4Confident18 Ų1849.9 Ų49.98%0.08425%0.25CS..Hα-helixtrans-64.1-37.9176-166.2-170.8106.300111.7W895 Q896 H897 A928 E929 L930 E934 R936W895-E932 WeakPolarHBondContact CA-OE1 3.46Å; W895-E932 WeakPolarHBondContact CB-OE1 3.49Å; W895-E932 HydrophobicContact CE3-CG 3.61Å; W895-E932 HydrophobicContact CZ3-CG 4.17Å; Q896-E932 WeakPolarHBondContact CA-OE2 3.41Å; Q896-E932 WeakPolarHBondContact CB-OE2 3.49Å; Q896-E932 VanDerWaalsContact N-CD 3.27Å; Q896-E932 PolarHBondContact N-OE1 2.83Å; Q896-E932 VanDerWaalsContact N-OE1 3.09Å; Q896-E932 PolarHBondContact N-OE2 2.78Å; H897-E932 WeakPolarHBondContact CB-OE1 3.27Å; H897-E932 IonicContact CD2-OE2 3.57Å; H897-E932 PolarHBondContact CD2-OE2 2.88Å; H897-E932 PolarHBondContact N-OE1 2.86Å; H897-E932 PolarHBondContact N-OE2 2.78Å; A928-E932 PolarHBondContact O-N 2.99Å; E929-E932 PolarHBondContact O-N 3.41Å; L930-E932 PolarHBondContact O-N 2.93Å; E932-E934 VanDerWaalsContact C-N 3.3Å; E932-E934 PolarHBondContact O-N 3.48Å; E932-R936 WeakPolarHBondContact O-CB 3.36Å; E932-R936 PolarHBondContact O-N 3.4Å
933W88.3Confident84.4Confident0 Ų045.2 Ų45.20%023%0.23CC..Hα-helixtrans-59.1-42.2173.5-74.714.1000111.4R898 P900 F904 F923 A924 E929 L930 H931 R936 R937R898-W933 HydrophobicContact CG-CZ2 3.85Å; R898-W933 PolarHBondContact O-NE1 3.36Å; P900-W933 HydrophobicContact CB-CD2 3.79Å; P900-W933 HydrophobicContact CB-CE3 3.86Å; P900-W933 HydrophobicContact CB-CG 4.11Å; P900-W933 HydrophobicContact CB-CZ3 4.32Å; P900-W933 HydrophobicContact CG-CB 3.9Å; P900-W933 HydrophobicContact CG-CD2 3.9Å; P900-W933 HydrophobicContact CG-CE3 4.41Å; P900-W933 HydrophobicContact CG-CG 3.66Å; F904-W933 HydrophobicContact CD1-CB 4.14Å; F904-W933 HydrophobicContact CE1-CB 3.88Å; F904-W933 WeakPolarHBondContact CE1-O 3.3Å; F923-W933 WeakPolarHBondContact O-CH2 3.32Å; A924-W933 HydrophobicContact CB-CD2 4.44Å; A924-W933 HydrophobicContact CB-CE3 4.12Å; A924-W933 HydrophobicContact CB-CH2 4.5Å; A924-W933 HydrophobicContact CB-CZ3 4.16Å; E929-W933 HydrophobicContact CG-CD2 4.38Å; E929-W933 HydrophobicContact CG-CG 4.46Å; E929-W933 HydrophobicContact CG-CZ2 4.21Å; E929-W933 WeakPolarHBondContact O-CB 3.5Å; E929-W933 PolarHBondContact O-N 3.32Å; L930-W933 WeakPolarHBondContact O-CB 3.36Å; L930-W933 PolarHBondContact O-N 3.3Å; H931-W933 VanDerWaalsContact C-N 3.32Å; H931-W933 PolarHBondContact O-N 2.89Å; W933-R936 PolarHBondContact O-N 2.93Å; W933-R937 WeakPolarHBondContact O-CB 3.45Å; W933-R937 PolarHBondContact O-N 2.9Å
934E84.9Confident84.4Confident71 Ų7141.9 Ų41.933%0.33222%0.215SC..Hα-helixtrans-69.9-45.8178.8-67.1-157102.400112.8F904 L930 H931 E932 R936 R937 D938F904-E934 HydrophobicContact CD1-CG 3.79Å; F904-E934 HydrophobicContact CE1-CG 4.43Å; L930-E934 HydrophobicContact CD1-CG 4.32Å; L930-E934 WeakPolarHBondContact O-CG 3.21Å; L930-E934 PolarHBondContact O-N 2.92Å; H931-E934 PolarHBondContact O-N 3.2Å; E932-E934 VanDerWaalsContact C-N 3.3Å; E932-E934 PolarHBondContact O-N 3.48Å; E934-R936 PolarHBondContact O-N 3.35Å; E934-R937 WeakPolarHBondContact O-CB 3.43Å; E934-R937 PolarHBondContact O-N 2.77Å; E934-R937 IonicContact OE1-CZ 3.59Å; E934-R937 IonicContact OE1-NH1 2.88Å; E934-R937 PolarHBondContact OE1-NH1 2.99Å; E934-R937 IonicContact OE1-NH2 3.59Å; E934-R937 PolarHBondContact OE1-NH2 3.49Å; E934-D938 PolarHBondContact O-N 3.12Å
935E83.1Confident84.2Confident105 Ų10546.3 Ų46.349%0.49124%0.239SC..Hα-helixtrans-56.8-40.5172.1-72.3-173.9135.800111.6W895 H931 D938 A939W895-E935 HydrophobicContact CH2-CB 4.34Å; W895-E935 HydrophobicContact CZ3-CB 4Å; H931-E935 IonicContact CE1-OE1 3.51Å; H931-E935 PolarHBondContact CE1-OE1 2.97Å; H931-E935 IonicContact ND1-OE1 3.61Å; H931-E935 IonicContact ND1-OE2 2.76Å; H931-E935 PolarHBondContact O-N 2.82Å; E935-D938 PolarHBondContact O-N 2.98Å; E935-A939 VanDerWaalsContact O-CB 3.25Å; E935-A939 WeakPolarHBondContact O-CB 3.46Å; E935-A939 PolarHBondContact O-N 3.34Å
936R84.8Confident84Confident41 Ų4146.6 Ų46.616%0.15524%0.24CC..Hα-helixtrans-70.8-39.2178.6-168.7171.1-165.2160.28.4112.7W895 E932 W933 E934 D938 L940W895-R936 VanDerWaalsContact CB-NH1 3.29Å; W895-R936 VanDerWaalsContact CD1-NH2 3.28Å; W895-R936 HydrophobicContact CD2-CB 4.19Å; W895-R936 HydrophobicContact CD2-CG 3.99Å; W895-R936 HydrophobicContact CE3-CB 4.01Å; W895-R936 HydrophobicContact CE3-CG 4.33Å; W895-R936 VanDerWaalsContact CG-CZ 3.46Å; W895-R936 VanDerWaalsContact CH2-CA 3.49Å; W895-R936 HydrophobicContact CH2-CB 3.83Å; W895-R936 HydrophobicContact CH2-CG 4.23Å; W895-R936 HydrophobicContact CZ2-CB 4.02Å; W895-R936 HydrophobicContact CZ2-CG 3.89Å; W895-R936 HydrophobicContact CZ3-CB 3.82Å; W895-R936 HydrophobicContact CZ3-CG 4.44Å; E932-R936 WeakPolarHBondContact O-CB 3.36Å; E932-R936 PolarHBondContact O-N 3.4Å; W933-R936 PolarHBondContact O-N 2.93Å; E934-R936 PolarHBondContact O-N 3.35Å; R936-D938 VanDerWaalsContact C-N 3.33Å; R936-L940 HydrophobicContact CG-CD1 4.23Å; R936-L940 WeakPolarHBondContact O-CB 3.22Å; R936-L940 WeakPolarHBondContact O-CD1 3.38Å; R936-L940 VanDerWaalsContact O-CG 3.26Å; R936-L940 WeakPolarHBondContact O-CG 3.37Å; R936-L940 PolarHBondContact O-N 2.94Å
937R84.1Confident83.9Confident29 Ų2946.3 Ų46.311%0.10924%0.236CC..Hα-helixtrans-57.3-49170.8175.3-168.166.5-150.3-6.9109.9F904 W933 E934 L940 K941F904-R937 HydrophobicContact CE1-CB 3.88Å; F904-R937 HydrophobicContact CE1-CG 4.35Å; F904-R937 HydrophobicContact CE2-CG 4.45Å; F904-R937 HydrophobicContact CZ-CB 3.78Å; F904-R937 HydrophobicContact CZ-CG 3.9Å; W933-R937 WeakPolarHBondContact O-CB 3.45Å; W933-R937 PolarHBondContact O-N 2.9Å; E934-R937 WeakPolarHBondContact O-CB 3.43Å; E934-R937 PolarHBondContact O-N 2.77Å; E934-R937 IonicContact OE1-CZ 3.59Å; E934-R937 IonicContact OE1-NH1 2.88Å; E934-R937 PolarHBondContact OE1-NH1 2.99Å; E934-R937 IonicContact OE1-NH2 3.59Å; E934-R937 PolarHBondContact OE1-NH2 3.49Å; R937-L940 CarbonylContact O-C 3.58Å; R937-L940 PolarHBondContact O-N 3.48Å; R937-K941 WeakPolarHBondContact O-CG 3.41Å; R937-K941 PolarHBondContact O-N 3.22Å
938D82.3Confident83.9Confident59 Ų5944.5 Ų44.532%0.31622%0.221SC..Hα-helixtrans-78.7-30.7-171.4-61.3-23.9000111.9E934 E935 R936 K941 M942E934-D938 PolarHBondContact O-N 3.12Å; E935-D938 PolarHBondContact O-N 2.98Å; R936-D938 VanDerWaalsContact C-N 3.33Å; D938-K941 PolarHBondContact O-N 3.38Å; D938-K941 WeakPolarHBondContact OD1-CD 3.23Å; D938-K941 WeakPolarHBondContact OD1-CE 3.4Å; D938-K941 IonicContact OD1-NZ 2.82Å; D938-K941 PolarHBondContact OD1-NZ 3.31Å; D938-M942 WeakPolarHBondContact O-CG 3.22Å; D938-M942 PolarHBondContact O-N 3.42Å
939A81.1Confident83.8Confident7 Ų746.6 Ų46.66%0.05822%0.217CC..Hα-helixtrans-59.5-43.5163.600000112.7Y641 W895 E935 M942 K943Y641-A939 HydrophobicContact CD1-CB 4.47Å; Y641-A939 HydrophobicContact CE1-CB 3.64Å; W895-A939 HydrophobicContact CH2-CB 4.19Å; W895-A939 HydrophobicContact CZ2-CB 4.15Å; E935-A939 VanDerWaalsContact O-CB 3.25Å; E935-A939 WeakPolarHBondContact O-CB 3.46Å; E935-A939 PolarHBondContact O-N 3.34Å; A939-M942 PolarHBondContact O-N 3.47Å; A939-K943 PolarHBondContact O-N 3.13Å
940L82.6Confident83.6Confident6 Ų646.8 Ų46.83%0.03122%0.219CC..Hα-helixtrans-69.6-33.1176.5-74.2166.6000112.2F886 F899 R936 R937 K943 L944 Y963 L966 F967F886-L940 HydrophobicContact CB-CD2 4.12Å; F886-L940 HydrophobicContact CD1-CD2 4.01Å; F899-L940 HydrophobicContact CE2-CD1 4.3Å; R936-L940 HydrophobicContact CG-CD1 4.23Å; R936-L940 WeakPolarHBondContact O-CB 3.22Å; R936-L940 WeakPolarHBondContact O-CD1 3.38Å; R936-L940 VanDerWaalsContact O-CG 3.26Å; R936-L940 WeakPolarHBondContact O-CG 3.37Å; R936-L940 PolarHBondContact O-N 2.94Å; R937-L940 CarbonylContact O-C 3.58Å; R937-L940 PolarHBondContact O-N 3.48Å; L940-K943 PolarHBondContact O-N 3.13Å; L940-L944 WeakPolarHBondContact O-CB 3.49Å; L940-L944 PolarHBondContact O-N 3.49Å; L940-Y963 HydrophobicContact CD1-CD1 4.14Å; L940-Y963 HydrophobicContact CD1-CE1 4.31Å; L940-Y963 HydrophobicContact CD2-CD1 4.46Å; L940-Y963 HydrophobicContact CD2-CE1 4.35Å; L940-L966 HydrophobicContact CD1-CD1 3.6Å; L940-F967 HydrophobicContact CB-CE1 4.21Å; L940-F967 HydrophobicContact CB-CZ 4.01Å
941K82.3Confident83.5Confident46 Ų4650 Ų5020%0.223%0.233CC..Hα-helixtrans-62.9-40.3169.1-70.8176.5-172.9156.70111.6R937 D938 L944 N945 F967 L970R937-K941 WeakPolarHBondContact O-CG 3.41Å; R937-K941 PolarHBondContact O-N 3.22Å; D938-K941 PolarHBondContact O-N 3.38Å; D938-K941 WeakPolarHBondContact OD1-CD 3.23Å; D938-K941 WeakPolarHBondContact OD1-CE 3.4Å; D938-K941 IonicContact OD1-NZ 2.82Å; D938-K941 PolarHBondContact OD1-NZ 3.31Å; K941-L944 WeakPolarHBondContact O-CB 3.3Å; K941-L944 PolarHBondContact O-N 2.87Å; K941-N945 WeakPolarHBondContact O-CB 3.5Å; K941-N945 VanDerWaalsContact O-CG 3.22Å; K941-N945 PolarHBondContact O-N 3.16Å; K941-N945 PolarHBondContact O-ND2 3.4Å; K941-F967 HydrophobicContact CG-CD1 3.99Å; K941-F967 HydrophobicContact CG-CE1 3.93Å; K941-L970 HydrophobicContact CD-CD1 4.21Å; K941-L970 HydrophobicContact CG-CD1 4.07Å
942M79.9Confident83.5Confident107 Ų10744.9 Ų44.953%0.52721%0.209SC..Hα-helixtrans-64.4-43.9174.7-71.4-171.6-178.700112D938 A939 L944 N945 K946D938-M942 WeakPolarHBondContact O-CG 3.22Å; D938-M942 PolarHBondContact O-N 3.42Å; A939-M942 PolarHBondContact O-N 3.47Å; M942-L944 PolarHBondContact O-N 2.78Å; M942-N945 PolarHBondContact O-N 3.39Å; M942-K946 PolarHBondContact O-N 3.4Å
943K82.1Confident83.4Confident20 Ų2044.5 Ų44.59%0.08721%0.208CC..Hα-helixtrans-60.2-44.1173.5-68.3-175.8-175.7-177.30111.6Y641 T888 D891 A939 L940 K946 A947Y641-K943 HydrophobicContact CD1-CG 4.47Å; T888-K943 PolarHBondContact OG1-NZ 3.47Å; D891-K943 IonicContact OD1-NZ 3.43Å; D891-K943 PolarHBondContact OD1-NZ 3.12Å; D891-K943 IonicContact OD2-NZ 2.82Å; D891-K943 PolarHBondContact OD2-NZ 2.9Å; A939-K943 PolarHBondContact O-N 3.13Å; L940-K943 PolarHBondContact O-N 3.13Å; K943-K946 PolarHBondContact O-N 3.07Å; K943-A947 WeakPolarHBondContact O-CB 3.31Å; K943-A947 PolarHBondContact O-N 3.37Å
944L83.4Confident82.9Confident1 Ų144.9 Ų44.91%0.00521%0.212CC..Hα-helixtrans-58-47.8174-177.673.3000111.9F886 L940 K941 M942 A947 R948 I953 F960 F967F886-L944 HydrophobicContact CE1-CB 4.2Å; F886-L944 HydrophobicContact CE1-CD1 4.12Å; F886-L944 HydrophobicContact CZ-CD1 3.81Å; L940-L944 WeakPolarHBondContact O-CB 3.49Å; L940-L944 PolarHBondContact O-N 3.49Å; K941-L944 WeakPolarHBondContact O-CB 3.3Å; K941-L944 PolarHBondContact O-N 2.87Å; M942-L944 PolarHBondContact O-N 2.78Å; L944-A947 PolarHBondContact O-N 3.49Å; L944-R948 WeakPolarHBondContact O-CG 3.48Å; L944-R948 PolarHBondContact O-N 3.44Å; L944-I953 HydrophobicContact CD1-CD1 3.65Å; L944-F960 HydrophobicContact CD1-CD2 4.5Å; L944-F960 HydrophobicContact CD1-CE1 3.98Å; L944-F960 HydrophobicContact CD1-CE2 3.83Å; L944-F960 HydrophobicContact CD1-CZ 3.53Å; L944-F967 HydrophobicContact CB-CE1 4.37Å; L944-F967 HydrophobicContact CB-CZ 4.25Å; L944-F967 HydrophobicContact CD2-CD1 3.89Å; L944-F967 HydrophobicContact CD2-CD2 4.23Å; L944-F967 HydrophobicContact CD2-CE1 4.06Å; L944-F967 HydrophobicContact CD2-CE2 4.37Å; L944-F967 HydrophobicContact CD2-CG 3.97Å; L944-F967 HydrophobicContact CD2-CZ 4.28Å
945N82.2Confident82.3Confident92 Ų9246.9 Ų46.949%0.49223%0.23SC..Hα-helixtrans-68.4-38.2-177.4-72.4-13.1000112.4K941 M942 R948 K949K941-N945 WeakPolarHBondContact O-CB 3.5Å; K941-N945 VanDerWaalsContact O-CG 3.22Å; K941-N945 PolarHBondContact O-N 3.16Å; K941-N945 PolarHBondContact O-ND2 3.4Å; M942-N945 PolarHBondContact O-N 3.39Å; N945-R948 PolarHBondContact O-N 3.35Å; N945-K949 WeakPolarHBondContact O-CB 3.2Å; N945-K949 PolarHBondContact O-N 2.95Å
946K82.1Confident81.8Confident36 Ų3649.3 Ų49.316%0.15725%0.247CC..Hα-helixtrans-62.2-47.8170.3-168.3-170.6-175.5-168.30110.6E638 W860 M942 K943 R948 K949 D950E638-K946 IonicContact OE1-NZ 3.16Å; E638-K946 PolarHBondContact OE1-NZ 2.99Å; W860-K946 HydrophobicContact CZ2-CD 4.44Å; M942-K946 PolarHBondContact O-N 3.4Å; K943-K946 PolarHBondContact O-N 3.07Å; K946-R948 VanDerWaalsContact C-N 3.31Å; K946-R948 PolarHBondContact O-N 3.08Å; K946-K949 WeakPolarHBondContact O-CB 3.35Å; K946-K949 PolarHBondContact O-N 2.82Å; K946-K949 VanDerWaalsContact O-N 3.15Å; K946-D950 WeakPolarHBondContact CE-OD2 3.46Å; K946-D950 WeakPolarHBondContact O-CB 3.27Å; K946-D950 PolarHBondContact O-N 2.9Å
947A83.9Confident81.4Confident5 Ų548.7 Ų48.74%0.04125%0.247CC..Hα-helixtrans-63.6-33.6-179.400000113.3V885 K943 L944 H951 L952 I953V885-A947 HydrophobicContact CG1-CB 3.67Å; K943-A947 WeakPolarHBondContact O-CB 3.31Å; K943-A947 PolarHBondContact O-N 3.37Å; L944-A947 PolarHBondContact O-N 3.49Å; A947-H951 PolarHBondContact O-N 3.33Å; A947-L952 HydrophobicContact CB-CB 4.27Å; A947-L952 PolarHBondContact O-N 3.41Å; A947-I953 HydrophobicContact CB-CD1 3.61Å; A947-I953 HydrophobicContact CB-CG1 3.94Å
948R84.2Confident81Confident74 Ų7450.7 Ų50.728%0.27926%0.26SS..Hα-helixtrans-67-48.2169.4-76.9179.3167.4178.8-5.1111.8L944 N945 K946 D950 H951 I953 D957 N958L944-R948 WeakPolarHBondContact O-CG 3.48Å; L944-R948 PolarHBondContact O-N 3.44Å; N945-R948 PolarHBondContact O-N 3.35Å; K946-R948 VanDerWaalsContact C-N 3.31Å; K946-R948 PolarHBondContact O-N 3.08Å; R948-D950 VanDerWaalsContact C-N 3.29Å; R948-D950 PolarHBondContact O-N 3.02Å; R948-H951 PolarHBondContact O-N 3.25Å; R948-H951 VanDerWaalsContact O-N 3.08Å; R948-I953 HydrophobicContact CG-CB 4.46Å; R948-D957 PolarHBondContact NH2-O 2.78Å; R948-N958 PolarHBondContact NH2-OD1 3.02Å
949K83Confident80.8Confident111 Ų11152.8 Ų52.848%0.48327%0.271SS..Hα-helixtrans-55.7-44.1175.8-168.1-172.5-173-169.20111.7K579 E646 N945 K946 H951K579-K949 WeakPolarHBondContact CD-O 3.36Å; E646-K949 WeakPolarHBondContact OE1-CE 3.3Å; E646-K949 IonicContact OE1-NZ 3.55Å; E646-K949 PolarHBondContact OE1-NZ 3.29Å; N945-K949 WeakPolarHBondContact O-CB 3.2Å; N945-K949 PolarHBondContact O-N 2.95Å; K946-K949 WeakPolarHBondContact O-CB 3.35Å; K946-K949 PolarHBondContact O-N 2.82Å; K946-K949 VanDerWaalsContact O-N 3.15Å; K949-H951 PolarHBondContact O-N 3.19Å; K949-H951 PolarHBondContact O-ND1 3.24Å
950D82.1Confident80.7Confident15 Ų1553 Ų538%0.0827%0.27CS..THydrogen-bonded Turntrans-81.45.3-179.2-66.7-14.9000114K579 K946 R948 L952K579-D950 IonicContact NZ-OD1 2.71Å; K579-D950 PolarHBondContact NZ-OD1 3.21Å; K946-D950 WeakPolarHBondContact CE-OD2 3.46Å; K946-D950 WeakPolarHBondContact O-CB 3.27Å; K946-D950 PolarHBondContact O-N 2.9Å; R948-D950 VanDerWaalsContact C-N 3.29Å; R948-D950 PolarHBondContact O-N 3.02Å; D950-L952 HydrophobicContact CB-CD1 4.3Å; D950-L952 HydrophobicContact CB-CG 4.03Å; D950-L952 PolarHBondContact O-N 2.86Å
951H85.8Confident80.5Confident95 Ų9555 Ų5544%0.4429%0.293SS..THydrogen-bonded Turntrans55.231179.8-65.563.3000113.8P580 W872 A947 R948 K949 I953P580-H951 HydrophobicContact CB-CB 4.22Å; W872-H951 PolarHBondContact NE1-O 3.3Å; A947-H951 PolarHBondContact O-N 3.33Å; R948-H951 PolarHBondContact O-N 3.25Å; R948-H951 VanDerWaalsContact O-N 3.08Å; K949-H951 PolarHBondContact O-N 3.19Å; K949-H951 PolarHBondContact O-ND1 3.24Å; H951-I953 VanDerWaalsContact C-N 3.31Å
952L84.3Confident80.1Confident4 Ų457.9 Ų57.92%0.02131%0.305CS..  trans-86.5-0.1173.9-60.9-177.9000112.9W860 M861 W872 H881 A947 D950W860-L952 HydrophobicContact CZ2-CD1 3.98Å; M861-L952 HydrophobicContact CG-CD1 3.79Å; W872-L952 HydrophobicContact CH2-CD2 3.79Å; W872-L952 HydrophobicContact CZ2-CD2 3.95Å; H881-L952 PolarHBondContact NE2-O 2.99Å; A947-L952 HydrophobicContact CB-CB 4.27Å; A947-L952 PolarHBondContact O-N 3.41Å; D950-L952 HydrophobicContact CB-CD1 4.3Å; D950-L952 HydrophobicContact CB-CG 4.03Å; D950-L952 PolarHBondContact O-N 2.86Å
953I84.3Confident80Confident11 Ų1153.6 Ų53.66%0.05628%0.283CS..SBendtrans-134.9139.9175.7-63.6176.4000106.7V885 F886 L944 A947 R948 H951 D957 F960V885-I953 HydrophobicContact CG1-CD1 4.3Å; F886-I953 HydrophobicContact CZ-CD1 4.4Å; L944-I953 HydrophobicContact CD1-CD1 3.65Å; A947-I953 HydrophobicContact CB-CD1 3.61Å; A947-I953 HydrophobicContact CB-CG1 3.94Å; R948-I953 HydrophobicContact CG-CB 4.46Å; H951-I953 VanDerWaalsContact C-N 3.31Å; I953-D957 HydrophobicContact CG2-CB 3.98Å; I953-F960 HydrophobicContact CD1-CE1 4.05Å; I953-F960 HydrophobicContact CG2-CE1 3.84Å; I953-F960 HydrophobicContact CG2-CZ 4.17Å
954G79.1Confident79.9Confident8 Ų853.7 Ų53.78%0.08229%0.287CS..  trans-63.4142.1176.700000111.4N956 D957G954-N956 PolarHBondContact O-N 2.87Å; G954-N956 VanDerWaalsContact O-N 3.15Å; G954-D957 VanDerWaalsContact O-CB 3.26Å; G954-D957 WeakPolarHBondContact O-CB 3.3Å; G954-D957 PolarHBondContact O-N 3.18Å
955P71.9Confident79.6Confident112 Ų11256.1 Ų56.173%0.72730%0.297SS*.THydrogen-bonded Turntrans-62-28.4-172.822.9-33.7000113.9
956N72.3Confident79.3Confident157 Ų15751.8 Ų51.884%0.8427%0.274SS*.THydrogen-bonded Turntrans-99.97.4177.1-60.2-9.4000112.7G954 N958G954-N956 PolarHBondContact O-N 2.87Å; G954-N956 VanDerWaalsContact O-N 3.15Å; N956-N958 PolarHBondContact O-N 3.39Å
957D77.1Confident79Confident28 Ų2850.8 Ų50.815%0.1527%0.269CS..  trans-86.2112.5-177.1-161.7-12.3000110.1K882 R948 I953 G954 D959 F960K882-D957 WeakPolarHBondContact CE-OD2 3.4Å; K882-D957 IonicContact NZ-OD1 2.76Å; K882-D957 PolarHBondContact NZ-OD1 3.35Å; K882-D957 IonicContact NZ-OD2 2.73Å; K882-D957 PolarHBondContact NZ-OD2 3.16Å; R948-D957 PolarHBondContact NH2-O 2.78Å; I953-D957 HydrophobicContact CG2-CB 3.98Å; G954-D957 VanDerWaalsContact O-CB 3.26Å; G954-D957 WeakPolarHBondContact O-CB 3.3Å; G954-D957 PolarHBondContact O-N 3.18Å; D957-D959 PolarHBondContact OD1-N 3.18Å; D957-F960 WeakPolarHBondContact O-CZ 3.44Å
958N74.9Confident78Confident71 Ų7157.6 Ų57.638%0.3830%0.298SS..  trans-122.24.8-179-86.8-25.3000112.2R948 N956 N971R948-N958 PolarHBondContact NH2-OD1 3.02Å; N956-N958 PolarHBondContact O-N 3.39Å; N958-N971 PolarHBondContact ND2-ND2 2.93Å; N958-N971 PolarHBondContact ND2-OD1 3.12Å
959D77.9Confident76.7Confident102 Ų10260 Ų6055%0.54532%0.317SS..  trans-105.5107.8175.4-16915.7000112K882 D957 G961 S964K882-D959 PolarHBondContact NZ-O 2.87Å; D957-D959 PolarHBondContact OD1-N 3.18Å; D959-G961 PolarHBondContact OD1-N 3.33Å; D959-S964 PolarHBondContact OD1-OG 3.07Å
960F79.3Confident75.1Confident11 Ų1158.6 Ų58.65%0.04831%0.314CS..  trans-111.322.5177.3-47.8-66.1000111.2F886 L944 I953 D957 K962 Y963 S964 F967F886-F960 HydrophobicContact CE2-CB 3.81Å; F886-F960 AromaticContact CE2-CD1 3.59Å; F886-F960 HydrophobicContact CE2-CD1 3.59Å; F886-F960 HydrophobicContact CE2-CE1 4.44Å; F886-F960 AromaticContact CE2-CG 3.85Å; F886-F960 HydrophobicContact CE2-CG 3.85Å; F886-F960 HydrophobicContact CZ-CB 4.27Å; F886-F960 AromaticContact CZ-CD1 3.73Å; F886-F960 HydrophobicContact CZ-CD1 3.73Å; F886-F960 HydrophobicContact CZ-CE1 4.24Å; F886-F960 AromaticContact CZ-CG 3.93Å; F886-F960 HydrophobicContact CZ-CG 3.93Å; L944-F960 HydrophobicContact CD1-CD2 4.5Å; L944-F960 HydrophobicContact CD1-CE1 3.98Å; L944-F960 HydrophobicContact CD1-CE2 3.83Å; L944-F960 HydrophobicContact CD1-CZ 3.53Å; I953-F960 HydrophobicContact CD1-CE1 4.05Å; I953-F960 HydrophobicContact CG2-CE1 3.84Å; I953-F960 HydrophobicContact CG2-CZ 4.17Å; D957-F960 WeakPolarHBondContact O-CZ 3.44Å; F960-K962 PolarHBondContact O-N 3.09Å; F960-K962 VanDerWaalsContact O-N 3.11Å; F960-Y963 WeakPolarHBondContact O-CD2 3.43Å; F960-Y963 PolarHBondContact O-N 3.19Å; F960-S964 VanDerWaalsContact C-OG 3.31Å; F960-S964 WeakPolarHBondContact CA-OG 3.25Å; F960-S964 PolarHBondContact N-OG 3.28Å; F960-F967 AromaticContact CD2-CD2 3.68Å; F960-F967 HydrophobicContact CD2-CD2 3.68Å; F960-F967 HydrophobicContact CD2-CE2 4.08Å; F960-F967 HydrophobicContact CE2-CD2 4.17Å; F960-F967 HydrophobicContact CG-CD2 4.49Å; F960-F967 HydrophobicContact CG-CE2 4.49Å
961G78Confident72.9Confident49 Ų4966.2 Ų66.251%0.50536%0.355SS..G310 helixtrans53.3-113.1-179.100000112.5D959 Y963 S964D959-G961 PolarHBondContact OD1-N 3.33Å; G961-Y963 PolarHBondContact O-N 2.95Å; G961-Y963 VanDerWaalsContact O-N 3.11Å; G961-S964 PolarHBondContact N-OG 2.95Å; G961-S964 WeakPolarHBondContact O-CB 3.26Å; G961-S964 PolarHBondContact O-N 3.01Å; G961-S964 VanDerWaalsContact O-N 3.13Å; G961-S964 PolarHBondContact O-OG 3.47Å
962K73.4Confident72.3Confident107 Ų10764.8 Ų64.847%0.46535%0.351SS..G310 helixtrans-61.5-16.9179.572.4-163.5177.9-154.80114.4E883 F960 F965E883-K962 IonicContact OE1-NZ 3.4Å; E883-K962 PolarHBondContact OE1-NZ 3.32Å; F960-K962 PolarHBondContact O-N 3.09Å; F960-K962 VanDerWaalsContact O-N 3.11Å; K962-F965 WeakPolarHBondContact O-CD1 3.44Å; K962-F965 WeakPolarHBondContact O-CE1 3.38Å
963Y78.3Confident71.6Confident17 Ų1768 Ų687%0.06737%0.368CS..G310 helixtrans-95.9-14.4177.5-55.7-83.6000113.5F886 F899 L940 F960 G961 F965 L966 F967F886-Y963 HydrophobicContact CB-CD1 4.11Å; F886-Y963 HydrophobicContact CB-CD2 3.88Å; F886-Y963 HydrophobicContact CB-CE1 3.75Å; F886-Y963 HydrophobicContact CB-CE2 3.5Å; F886-Y963 VanDerWaalsContact CB-CE2 3.5Å; F886-Y963 HydrophobicContact CB-CG 4.17Å; F886-Y963 VanDerWaalsContact CB-CZ 3.43Å; F886-Y963 AromaticContact CD2-CD2 3.71Å; F886-Y963 HydrophobicContact CD2-CD2 3.71Å; F886-Y963 HydrophobicContact CD2-CE2 4.04Å; F886-Y963 HydrophobicContact CD2-CG 4.18Å; F886-Y963 HydrophobicContact CG-CD1 4.41Å; F886-Y963 AromaticContact CG-CD2 3.96Å; F886-Y963 HydrophobicContact CG-CD2 3.96Å; F886-Y963 HydrophobicContact CG-CE2 4.09Å; F886-Y963 HydrophobicContact CG-CG 4.13Å; F886-Y963 PolarHBondContact O-OH 2.91Å; F899-Y963 HydrophobicContact CE2-CD1 4.29Å; F899-Y963 AromaticContact CE2-CE1 3.96Å; F899-Y963 HydrophobicContact CE2-CE1 3.96Å; F899-Y963 AromaticContact CZ-CD1 3.73Å; F899-Y963 HydrophobicContact CZ-CD1 3.73Å; F899-Y963 AromaticContact CZ-CE1 3.76Å; F899-Y963 HydrophobicContact CZ-CE1 3.76Å; L940-Y963 HydrophobicContact CD1-CD1 4.14Å; L940-Y963 HydrophobicContact CD1-CE1 4.31Å; L940-Y963 HydrophobicContact CD2-CD1 4.46Å; L940-Y963 HydrophobicContact CD2-CE1 4.35Å; F960-Y963 WeakPolarHBondContact O-CD2 3.43Å; F960-Y963 PolarHBondContact O-N 3.19Å; G961-Y963 PolarHBondContact O-N 2.95Å; G961-Y963 VanDerWaalsContact O-N 3.11Å; Y963-F965 PolarHBondContact O-N 2.84Å; Y963-L966 HydrophobicContact CD1-CD1 4.07Å; Y963-L966 WeakPolarHBondContact O-CB 3.41Å; Y963-L966 PolarHBondContact O-N 3.04Å; Y963-F967 WeakPolarHBondContact O-CD2 3.47Å
964S79.8Confident70.9Confident22 Ų2271.2 Ų71.215%0.15439%0.385CS..G310 helixtrans-57.4-29.6-170.2-55.40000114.2D959 F960 G961 L966D959-S964 PolarHBondContact OD1-OG 3.07Å; F960-S964 VanDerWaalsContact C-OG 3.31Å; F960-S964 WeakPolarHBondContact CA-OG 3.25Å; F960-S964 PolarHBondContact N-OG 3.28Å; G961-S964 PolarHBondContact N-OG 2.95Å; G961-S964 WeakPolarHBondContact O-CB 3.26Å; G961-S964 PolarHBondContact O-N 3.01Å; G961-S964 VanDerWaalsContact O-N 3.13Å; G961-S964 PolarHBondContact O-OG 3.47Å; S964-L966 VanDerWaalsContact C-N 3.35Å
965F77.6Confident70.4Confident52 Ų5274.9 Ų74.923%0.22840%0.403CS..G310 helixtrans-73.2-23.2179.378.6-87.8000113.8F899 P900 G902 K962 Y963 F967F899-F965 HydrophobicContact CE1-CE1 4.17Å; F899-F965 HydrophobicContact CE1-CZ 4.24Å; P900-F965 HydrophobicContact CB-CE2 4.08Å; P900-F965 HydrophobicContact CB-CZ 3.98Å; P900-F965 VanDerWaalsContact O-CZ 3.23Å; P900-F965 WeakPolarHBondContact O-CZ 3.32Å; G902-F965 WeakPolarHBondContact O-CD2 3.34Å; K962-F965 WeakPolarHBondContact O-CD1 3.44Å; K962-F965 WeakPolarHBondContact O-CE1 3.38Å; Y963-F965 PolarHBondContact O-N 2.84Å; F965-F967 PolarHBondContact O-N 3.04Å
966L75.3Confident70.4Confident1 Ų172.6 Ų72.61%0.00538%0.383CS..G310 helixtrans-71.6-13.3178.5-59.9171.3000113.3F899 P900 F904 L940 Y963 S964F899-L966 HydrophobicContact CZ-CD1 3.93Å; P900-L966 HydrophobicContact CB-CD2 4.16Å; P900-L966 HydrophobicContact CG-CD2 4.21Å; F904-L966 HydrophobicContact CE2-CD2 4.24Å; F904-L966 HydrophobicContact CZ-CD2 3.67Å; L940-L966 HydrophobicContact CD1-CD1 3.6Å; Y963-L966 HydrophobicContact CD1-CD1 4.07Å; Y963-L966 WeakPolarHBondContact O-CB 3.41Å; Y963-L966 PolarHBondContact O-N 3.04Å; S964-L966 VanDerWaalsContact C-N 3.35Å
967F75.5Confident70.2Confident14 Ų1466.9 Ų66.96%0.06135%0.352CS..G310 helixtrans-123.19.7-170.6-51.3-52.4000113F886 L940 K941 L944 F960 Y963 F965 D969 L970F886-F967 HydrophobicContact CD1-CZ 4.49Å; F886-F967 AromaticContact CE1-CE2 3.99Å; F886-F967 HydrophobicContact CE1-CE2 3.99Å; F886-F967 AromaticContact CE1-CZ 3.95Å; F886-F967 HydrophobicContact CE1-CZ 3.95Å; F886-F967 HydrophobicContact CZ-CE2 4.16Å; L940-F967 HydrophobicContact CB-CE1 4.21Å; L940-F967 HydrophobicContact CB-CZ 4.01Å; K941-F967 HydrophobicContact CG-CD1 3.99Å; K941-F967 HydrophobicContact CG-CE1 3.93Å; L944-F967 HydrophobicContact CB-CE1 4.37Å; L944-F967 HydrophobicContact CB-CZ 4.25Å; L944-F967 HydrophobicContact CD2-CD1 3.89Å; L944-F967 HydrophobicContact CD2-CD2 4.23Å; L944-F967 HydrophobicContact CD2-CE1 4.06Å; L944-F967 HydrophobicContact CD2-CE2 4.37Å; L944-F967 HydrophobicContact CD2-CG 3.97Å; L944-F967 HydrophobicContact CD2-CZ 4.28Å; F960-F967 AromaticContact CD2-CD2 3.68Å; F960-F967 HydrophobicContact CD2-CD2 3.68Å; F960-F967 HydrophobicContact CD2-CE2 4.08Å; F960-F967 HydrophobicContact CE2-CD2 4.17Å; F960-F967 HydrophobicContact CG-CD2 4.49Å; F960-F967 HydrophobicContact CG-CE2 4.49Å; Y963-F967 WeakPolarHBondContact O-CD2 3.47Å; F965-F967 PolarHBondContact O-N 3.04Å; F967-D969 PolarHBondContact O-N 2.83Å; F967-L970 HydrophobicContact CB-CD1 4.26Å; F967-L970 HydrophobicContact CD1-CD1 4.19Å; F967-L970 WeakPolarHBondContact O-CB 3.13Å; F967-L970 PolarHBondContact O-N 2.61Å
968K64.9Low69.7Low148 Ų14869.7 Ų69.764%0.64337%0.367SS*.G310 helixtrans-66.3-24.6-179.2-76.5-177176-174.60113.5L970K968-L970 PolarHBondContact O-N 3.48Å
969D56Low69.3Low126 Ų12669.6 Ų69.667%0.67437%0.366SS*.G310 helixtrans-85.620.7-179.4-38-49.1000112.7F967F967-D969 PolarHBondContact O-N 2.83Å
970L48.5Very low68.6Low80 Ų8066.9 Ų66.942%0.41935%0.351SS..G310 helixtrans-126.117.4-174.4-66.6172.3000114K941 F967 K968K941-L970 HydrophobicContact CD-CD1 4.21Å; K941-L970 HydrophobicContact CG-CD1 4.07Å; F967-L970 HydrophobicContact CB-CD1 4.26Å; F967-L970 HydrophobicContact CD1-CD1 4.19Å; F967-L970 WeakPolarHBondContact O-CB 3.13Å; F967-L970 PolarHBondContact O-N 2.61Å; K968-L970 PolarHBondContact O-N 3.48Å
971N36.8Very low67.7Low176 Ų17672 Ų7294%0.94138%0.378SS*.  trans-121.50172.3-73.3-32.4000109.9N958N958-N971 PolarHBondContact ND2-ND2 2.93Å; N958-N971 PolarHBondContact ND2-OD1 3.12Å

Retrieved 971 of 971 residues in 1053.8 ms (Link to these results)

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