A0A096NCI9_PAPAN Loading...

DCC-interacting protein 13-beta

AlphaFold DB (A0A2K5Y9R2), UniProt , Accession A0A096NCI9, Species PAPAN (Papio anubis, Olive baboon), Gene APPL2, Length 670 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
1M41.7Very low75.9Confident202 Ų20296 Ų96100%0.99552%0.517SS*.  0130.60-79.7-178159.600107.6
2P43.5Very low77.1Confident113 Ų11388.1 Ų88.173%0.73448%0.475SS*.PPolyproline II helixtrans-57.9147.5171.824.1-30000109.7V4P2-V4 PolarHBondContact O-N 3.38Å
3A55.8Low78Confident91 Ų9188.6 Ų88.675%0.75248%0.476SS*.PPolyproline II helixtrans-55.3131.3176.800000108.7D5A3-D5 PolarHBondContact O-N 3.3Å
4V63.5Low78.9Confident32 Ų3293 Ų9319%0.19449%0.492CS..PPolyproline II helixtrans-65.6119170.6-178.40000105.6P2 K6 Q195 Y196P2-V4 PolarHBondContact O-N 3.38Å; V4-K6 PolarHBondContact O-N 3.48Å; V4-Q195 HydrophobicContact CG1-CB 3.47Å; V4-Q195 VanDerWaalsContact CG1-CB 3.47Å; V4-Q195 HydrophobicContact CG1-CG 3.87Å; V4-Y196 HydrophobicContact CG2-CE1 4.32Å
5D74.8Confident79.5Confident132 Ų13289.2 Ų89.271%0.70647%0.472SS*.PPolyproline II helixtrans-53.9135.3170.3-70-43000107.9A3 F26A3-D5 PolarHBondContact O-N 3.3Å; D5-F26 VanDerWaalsContact O-CZ 3.25Å; D5-F26 WeakPolarHBondContact O-CZ 3.4Å
6K89.6Confident80.2Confident127 Ų12784.6 Ų84.655%0.55245%0.45SS*.  trans-131.6135.7-167.3-168.3-175.4177.5-174.60110.1V4 L8 N192V4-K6 PolarHBondContact O-N 3.48Å; K6-L8 PolarHBondContact O-N 3.31Å; K6-N192 HydrophobicContact CG-CB 4.46Å; K6-N192 WeakPolarHBondContact CG-ND2 3.45Å; K6-N192 WeakPolarHBondContact CG-OD1 3.46Å
7L92.6Very high80.7Confident0 Ų085.6 Ų85.60%046%0.462CS..  trans-70121.8167.5-70.4166.5000109.3L22 L23 F26 Y188 L191 N192L7-L22 HydrophobicContact CD2-CB 4.43Å; L7-L22 HydrophobicContact CD2-CD2 4.06Å; L7-L22 HydrophobicContact CD2-CG 3.91Å; L7-L23 HydrophobicContact CD1-CD1 3.75Å; L7-L23 HydrophobicContact CD2-CB 4.37Å; L7-L23 HydrophobicContact CD2-CD1 4.44Å; L7-F26 HydrophobicContact CD1-CB 4.34Å; L7-F26 HydrophobicContact CD1-CD1 3.97Å; L7-F26 HydrophobicContact CD1-CD2 4.38Å; L7-F26 HydrophobicContact CD1-CE1 4.31Å; L7-F26 HydrophobicContact CD1-CG 3.99Å; L7-F26 HydrophobicContact CD2-CD2 4.19Å; L7-F26 HydrophobicContact CD2-CE2 4.26Å; L7-F26 HydrophobicContact CG-CD1 4.2Å; L7-F26 HydrophobicContact CG-CD2 4.09Å; L7-F26 HydrophobicContact CG-CE1 4.12Å; L7-F26 HydrophobicContact CG-CE2 4.01Å; L7-F26 HydrophobicContact CG-CG 4.16Å; L7-F26 HydrophobicContact CG-CZ 4Å; L7-Y188 HydrophobicContact CB-CD2 3.96Å; L7-Y188 HydrophobicContact CB-CG 4.05Å; L7-Y188 HydrophobicContact CD1-CD1 4.12Å; L7-Y188 HydrophobicContact CD1-CG 4.09Å; L7-L191 HydrophobicContact CD1-CB 3.94Å; L7-L191 HydrophobicContact CD1-CD1 3.76Å; L7-N192 PolarHBondContact N-OD1 2.97Å; L7-N192 PolarHBondContact O-ND2 3.41Å
8L93.7Very high81.1Confident83 Ų8388.8 Ų88.844%0.43547%0.474SS..  trans-75.3126.1178-60.2179.2000109.7K6 E10 E11K6-L8 PolarHBondContact O-N 3.31Å; L8-E10 VanDerWaalsContact C-N 3.33Å; L8-E11 HydrophobicContact CB-CB 4.45Å; L8-E11 HydrophobicContact CB-CG 4Å; L8-E11 HydrophobicContact CD1-CG 4.36Å
9L93.9Very high81.5Confident53 Ų5384.2 Ų84.228%0.27745%0.449SS..SBendtrans-76.2-28.6-177.3-62.2-179.8000111.2E11 A12 L185L9-E11 PolarHBondContact O-N 3.21Å; L9-A12 VanDerWaalsContact O-CB 3.24Å; L9-A12 WeakPolarHBondContact O-CB 3.41Å; L9-A12 PolarHBondContact O-N 3.23Å; L9-L185 HydrophobicContact CB-CD2 3.88Å; L9-L185 HydrophobicContact CD2-CD2 4.16Å
10E94.5Very high81.9Confident158 Ų15883.4 Ų83.474%0.73844%0.44SS*.THydrogen-bonded Turntrans-64.2-27.6178.9-59.578.9-174.400112L8L8-E10 VanDerWaalsContact C-N 3.33Å
11E91.6Very high82.3Confident65 Ų6582.9 Ų82.930%0.30444%0.443SS..THydrogen-bonded Turntrans-85.4-10.5179.2-61.3-171.2171.100113.3L8 L9 L13 Q14 D15 T19L8-E11 HydrophobicContact CB-CB 4.45Å; L8-E11 HydrophobicContact CB-CG 4Å; L8-E11 HydrophobicContact CD1-CG 4.36Å; L9-E11 PolarHBondContact O-N 3.21Å; E11-L13 VanDerWaalsContact C-N 3.3Å; E11-L13 PolarHBondContact O-N 3.19Å; E11-Q14 PolarHBondContact O-N 2.69Å; E11-Q14 VanDerWaalsContact O-N 3.14Å; E11-D15 PolarHBondContact O-N 3.42Å; E11-T19 HydrophobicContact CB-CG2 4.03Å; E11-T19 PolarHBondContact OE2-OG1 3.31Å
12A89.6Confident84.7Confident1 Ų176.5 Ų76.51%0.00841%0.413CS..THydrogen-bonded Turntrans-62.9-32.6-173.400000113.4L9 L185 Y188L9-A12 VanDerWaalsContact O-CB 3.24Å; L9-A12 WeakPolarHBondContact O-CB 3.41Å; L9-A12 PolarHBondContact O-N 3.23Å; A12-L185 HydrophobicContact CB-CD2 3.88Å; A12-L185 HydrophobicContact CB-CG 4.31Å; A12-Y188 HydrophobicContact CB-CD2 4.11Å; A12-Y188 HydrophobicContact CB-CE2 3.94Å
13L89Confident87.1Confident95 Ų9571.3 Ų71.350%0.49738%0.378SS..THydrogen-bonded Turntrans-77.1-34.8176-178.461.2000112.6E11 D15 R177 H181E11-L13 VanDerWaalsContact C-N 3.3Å; E11-L13 PolarHBondContact O-N 3.19Å; L13-D15 VanDerWaalsContact C-N 3.27Å; L13-R177 HydrophobicContact CD1-CG 4.08Å; L13-H181 HydrophobicContact CD1-CB 4.05Å
14Q90.5Very high88.8Confident150 Ų15069.1 Ų69.170%0.70136%0.358SS*.THydrogen-bonded Turntrans-70.5-31.3-179.4-176.7173.8-7.400111E11 S16E11-Q14 PolarHBondContact O-N 2.69Å; E11-Q14 VanDerWaalsContact O-N 3.14Å; Q14-S16 VanDerWaalsContact C-N 3.27Å; Q14-S16 PolarHBondContact O-N 3.18Å
15D87.9Confident90.3Very high36 Ų3671.4 Ų71.419%0.19337%0.372CS..  trans53.744.2172.9-163.935.3000113E11 L13 R20 F143 Q180E11-D15 PolarHBondContact O-N 3.42Å; L13-D15 VanDerWaalsContact C-N 3.27Å; D15-R20 IonicContact OD1-CZ 3.68Å; D15-R20 IonicContact OD1-NE 3.13Å; D15-R20 PolarHBondContact OD1-NE 3.27Å; D15-R20 IonicContact OD1-NH2 2.71Å; D15-R20 PolarHBondContact OD1-NH2 2.88Å; D15-R20 IonicContact OD2-CZ 2.69Å; D15-R20 IonicContact OD2-NE 3.95Å; D15-R20 IonicContact OD2-NH2 3.22Å; D15-F143 WeakPolarHBondContact OD2-CE1 3.21Å; D15-F143 WeakPolarHBondContact OD2-CZ 3.46Å; D15-Q180 PolarHBondContact OD2-NE2 2.84Å
16S90.8Very high91.2Very high16 Ų1665.7 Ų65.711%0.11234%0.34CS..  trans-68.2151.3-174.580.70000111.4Q14 Q18 T19 R20Q14-S16 VanDerWaalsContact C-N 3.27Å; Q14-S16 PolarHBondContact O-N 3.18Å; S16-Q18 PolarHBondContact O-N 3.01Å; S16-Q18 VanDerWaalsContact O-N 3.15Å; S16-Q18 PolarHBondContact OG-N 3.45Å; S16-Q18 PolarHBondContact OG-OE1 3.4Å; S16-T19 PolarHBondContact O-N 3.1Å; S16-T19 PolarHBondContact OG-N 3.26Å; S16-T19 PolarHBondContact OG-OG1 3.4Å; S16-R20 WeakPolarHBondContact O-CG 3.44Å; S16-R20 PolarHBondContact O-N 2.92Å
17P88.4Confident91.4Very high102 Ų10261.9 Ų61.966%0.66233%0.325SS*.Hα-helixtrans-54.9-31.7172.3-2735.6000113.3R20 S21P17-R20 PolarHBondContact O-N 2.96Å; P17-S21 WeakPolarHBondContact O-CB 3.25Å; P17-S21 PolarHBondContact O-N 2.72Å
18Q88.9Confident91.6Very high142 Ų14268.1 Ų68.166%0.66435%0.354SS*.Hα-helixtrans-66.8-46.4175.3-65.479.63.700111.4S16 R20 S21 L22S16-Q18 PolarHBondContact O-N 3.01Å; S16-Q18 VanDerWaalsContact O-N 3.15Å; S16-Q18 PolarHBondContact OG-N 3.45Å; S16-Q18 PolarHBondContact OG-OE1 3.4Å; Q18-R20 VanDerWaalsContact C-N 3.31Å; Q18-R20 PolarHBondContact O-N 2.82Å; Q18-S21 PolarHBondContact O-N 2.98Å; Q18-L22 PolarHBondContact O-N 3.45Å
19T89.1Confident91.6Very high2 Ų266.9 Ų66.91%0.01235%0.348CS..Hα-helixtrans-62.3-40175.8-47.10000110.8E11 S16 L22 L23 Y188E11-T19 HydrophobicContact CB-CG2 4.03Å; E11-T19 PolarHBondContact OE2-OG1 3.31Å; S16-T19 PolarHBondContact O-N 3.1Å; S16-T19 PolarHBondContact OG-N 3.26Å; S16-T19 PolarHBondContact OG-OG1 3.4Å; T19-L22 PolarHBondContact O-N 2.85Å; T19-L23 WeakPolarHBondContact O-CB 3.33Å; T19-L23 PolarHBondContact O-N 3.46Å; T19-Y188 HydrophobicContact CG2-CE2 3.8Å; T19-Y188 WeakPolarHBondContact CG2-OH 3.17Å
20R89.1Confident91.7Very high68 Ų6864.8 Ų64.826%0.25734%0.338SS..Hα-helixtrans-62.2-40.9174-73.8-81.3169.7-159.4-36.9112.9D15 S16 P17 Q18 L23 S24D15-R20 IonicContact OD1-CZ 3.68Å; D15-R20 IonicContact OD1-NE 3.13Å; D15-R20 PolarHBondContact OD1-NE 3.27Å; D15-R20 IonicContact OD1-NH2 2.71Å; D15-R20 PolarHBondContact OD1-NH2 2.88Å; D15-R20 IonicContact OD2-CZ 2.69Å; D15-R20 IonicContact OD2-NE 3.95Å; D15-R20 IonicContact OD2-NH2 3.22Å; S16-R20 WeakPolarHBondContact O-CG 3.44Å; S16-R20 PolarHBondContact O-N 2.92Å; P17-R20 PolarHBondContact O-N 2.96Å; Q18-R20 VanDerWaalsContact C-N 3.31Å; Q18-R20 PolarHBondContact O-N 2.82Å; R20-L23 WeakPolarHBondContact O-CB 3.46Å; R20-L23 PolarHBondContact O-N 3.06Å; R20-S24 PolarHBondContact O-N 2.86Å
21S90.4Very high91.8Very high73 Ų7358.8 Ų58.851%0.5132%0.319SS..Hα-helixtrans-68.4-34.7176.3-174.50000112.5P17 Q18 S24 V25P17-S21 WeakPolarHBondContact O-CB 3.25Å; P17-S21 PolarHBondContact O-N 2.72Å; Q18-S21 PolarHBondContact O-N 2.98Å; S21-S24 PolarHBondContact O-OG 2.71Å; S21-V25 WeakPolarHBondContact O-CG2 3.28Å
22L92.8Very high92Very high68 Ų6860.1 Ų60.136%0.35633%0.331SS..Hα-helixtrans-70.1-41.9173.2-178.560000110.7L7 Q18 T19 S24 V25 F26L7-L22 HydrophobicContact CD2-CB 4.43Å; L7-L22 HydrophobicContact CD2-CD2 4.06Å; L7-L22 HydrophobicContact CD2-CG 3.91Å; Q18-L22 PolarHBondContact O-N 3.45Å; T19-L22 PolarHBondContact O-N 2.85Å; L22-S24 VanDerWaalsContact C-N 3.32Å; L22-S24 PolarHBondContact O-N 2.99Å; L22-V25 WeakPolarHBondContact O-CB 3.3Å; L22-V25 PolarHBondContact O-N 3.02Å; L22-V25 VanDerWaalsContact O-N 3.16Å; L22-F26 HydrophobicContact CD1-CD2 4.29Å; L22-F26 HydrophobicContact CD1-CE2 3.93Å; L22-F26 HydrophobicContact CG-CD2 4.34Å; L22-F26 HydrophobicContact CG-CE2 4.07Å; L22-F26 WeakPolarHBondContact O-CD2 3.33Å; L22-F26 PolarHBondContact O-N 3.02Å
23L91.9Very high92.4Very high3 Ų360.9 Ų60.92%0.01634%0.335CS..Hα-helixtrans-57.2-44.3176.118065.8000112.1L7 T19 R20 V25 F26 E27 F133 Y187 Y188 L191L7-L23 HydrophobicContact CD1-CD1 3.75Å; L7-L23 HydrophobicContact CD2-CB 4.37Å; L7-L23 HydrophobicContact CD2-CD1 4.44Å; T19-L23 WeakPolarHBondContact O-CB 3.33Å; T19-L23 PolarHBondContact O-N 3.46Å; R20-L23 WeakPolarHBondContact O-CB 3.46Å; R20-L23 PolarHBondContact O-N 3.06Å; L23-V25 PolarHBondContact O-N 3.14Å; L23-F26 WeakPolarHBondContact O-CA 3.39Å; L23-F26 WeakPolarHBondContact O-CB 3.31Å; L23-F26 PolarHBondContact O-N 2.92Å; L23-E27 WeakPolarHBondContact O-CG 3.46Å; L23-E27 PolarHBondContact O-N 3.41Å; L23-F133 HydrophobicContact CD2-CD1 4.45Å; L23-F133 HydrophobicContact CD2-CE1 3.3Å; L23-F133 HydrophobicContact CD2-CE2 4.43Å; L23-F133 HydrophobicContact CD2-CZ 3.26Å; L23-Y187 HydrophobicContact CD1-CD1 4.17Å; L23-Y187 HydrophobicContact CD1-CE1 3.91Å; L23-Y187 HydrophobicContact CD2-CE1 4.39Å; L23-Y187 HydrophobicContact CG-CE1 4.48Å; L23-Y188 HydrophobicContact CD1-CD1 3.93Å; L23-Y188 HydrophobicContact CD1-CE1 3.66Å; L23-Y188 HydrophobicContact CD2-CE1 3.72Å; L23-Y188 HydrophobicContact CG-CE1 4.2Å; L23-L191 HydrophobicContact CD1-CD1 3.41Å; L23-L191 VanDerWaalsContact CD1-CD1 3.41Å
24S91.6Very high92.8Very high46 Ų4658.5 Ų58.532%0.32233%0.325SS..Hα-helixtrans-60.1-34.9178.665.70000112.5R20 S21 L22 F26 E27 E28R20-S24 PolarHBondContact O-N 2.86Å; S21-S24 PolarHBondContact O-OG 2.71Å; L22-S24 VanDerWaalsContact C-N 3.32Å; L22-S24 PolarHBondContact O-N 2.99Å; S24-F26 VanDerWaalsContact C-N 3.35Å; S24-E27 WeakPolarHBondContact O-CB 3.25Å; S24-E27 PolarHBondContact O-N 3.22Å; S24-E28 WeakPolarHBondContact O-CG 3.34Å; S24-E28 PolarHBondContact O-N 2.74Å
25V95.1Very high93.1Very high80 Ų8056.1 Ų56.149%0.48532%0.317SS..Hα-helixtrans-64.6-39.8174.3176.90000111.3S21 L22 L23 E27 E28 D29S21-V25 WeakPolarHBondContact O-CG2 3.28Å; L22-V25 WeakPolarHBondContact O-CB 3.3Å; L22-V25 PolarHBondContact O-N 3.02Å; L22-V25 VanDerWaalsContact O-N 3.16Å; L23-V25 PolarHBondContact O-N 3.14Å; V25-E27 VanDerWaalsContact C-N 3.34Å; V25-E28 PolarHBondContact O-N 2.93Å; V25-D29 PolarHBondContact O-N 3.39Å
26F95.1Very high93.6Very high11 Ų1160.4 Ų60.45%0.04833%0.331CS..Hα-helixtrans-66.2-36.5174.2-83.8-112.7000112.1D5 L7 L22 L23 S24 D29 A30 L191 Q195D5-F26 VanDerWaalsContact O-CZ 3.25Å; D5-F26 WeakPolarHBondContact O-CZ 3.4Å; L7-F26 HydrophobicContact CD1-CB 4.34Å; L7-F26 HydrophobicContact CD1-CD1 3.97Å; L7-F26 HydrophobicContact CD1-CD2 4.38Å; L7-F26 HydrophobicContact CD1-CE1 4.31Å; L7-F26 HydrophobicContact CD1-CG 3.99Å; L7-F26 HydrophobicContact CD2-CD2 4.19Å; L7-F26 HydrophobicContact CD2-CE2 4.26Å; L7-F26 HydrophobicContact CG-CD1 4.2Å; L7-F26 HydrophobicContact CG-CD2 4.09Å; L7-F26 HydrophobicContact CG-CE1 4.12Å; L7-F26 HydrophobicContact CG-CE2 4.01Å; L7-F26 HydrophobicContact CG-CG 4.16Å; L7-F26 HydrophobicContact CG-CZ 4Å; L22-F26 HydrophobicContact CD1-CD2 4.29Å; L22-F26 HydrophobicContact CD1-CE2 3.93Å; L22-F26 HydrophobicContact CG-CD2 4.34Å; L22-F26 HydrophobicContact CG-CE2 4.07Å; L22-F26 WeakPolarHBondContact O-CD2 3.33Å; L22-F26 PolarHBondContact O-N 3.02Å; L23-F26 WeakPolarHBondContact O-CA 3.39Å; L23-F26 WeakPolarHBondContact O-CB 3.31Å; L23-F26 PolarHBondContact O-N 2.92Å; S24-F26 VanDerWaalsContact C-N 3.35Å; F26-D29 PolarHBondContact O-N 2.75Å; F26-A30 WeakPolarHBondContact O-CB 3.42Å; F26-A30 PolarHBondContact O-N 3.07Å; F26-L191 HydrophobicContact CB-CD1 4.07Å; F26-L191 HydrophobicContact CB-CD2 4.41Å; F26-L191 HydrophobicContact CD1-CB 4.1Å; F26-Q195 HydrophobicContact CE1-CG 4.04Å
27E93.5Very high93.9Very high47 Ų4759.6 Ų59.622%0.2233%0.326CS..Hα-helixtrans-65.2-40.5175.2-67.2-169.2176.600112.3L23 S24 V25 A30 G31 K130 Y187L23-E27 WeakPolarHBondContact O-CG 3.46Å; L23-E27 PolarHBondContact O-N 3.41Å; S24-E27 WeakPolarHBondContact O-CB 3.25Å; S24-E27 PolarHBondContact O-N 3.22Å; V25-E27 VanDerWaalsContact C-N 3.34Å; E27-A30 PolarHBondContact O-N 2.78Å; E27-G31 PolarHBondContact O-N 3.28Å; E27-K130 WeakPolarHBondContact OE2-CE 3.45Å; E27-K130 IonicContact OE2-NZ 2.68Å; E27-K130 PolarHBondContact OE2-NZ 2.99Å; E27-K130 VanDerWaalsContact OE2-NZ 3.09Å; E27-Y187 HydrophobicContact CG-CE1 4.47Å; E27-Y187 WeakPolarHBondContact CG-OH 3.33Å; E27-Y187 WeakPolarHBondContact OE1-CE1 3.33Å; E27-Y187 PolarHBondContact OE1-OH 2.8Å
28E95.8Very high94.3Very high132 Ų13256.8 Ų56.862%0.61731%0.305SS*.Hα-helixtrans-65.3-42.5175.3-73.6175.5-170.600112.1S24 V25 G31 T32S24-E28 WeakPolarHBondContact O-CG 3.34Å; S24-E28 PolarHBondContact O-N 2.74Å; V25-E28 PolarHBondContact O-N 2.93Å; E28-G31 PolarHBondContact O-N 2.86Å; E28-T32 WeakPolarHBondContact O-CB 3.46Å; E28-T32 PolarHBondContact O-N 3.47Å; E28-T32 PolarHBondContact O-OG1 3.4Å
29D94.8Very high94.8Very high56 Ų5656.3 Ų56.330%0.29930%0.303SS..Hα-helixtrans-62.1-43.5173.6-177.554.6000111V25 F26 G31 T32 L33 Q195 K198V25-D29 PolarHBondContact O-N 3.39Å; F26-D29 PolarHBondContact O-N 2.75Å; D29-G31 PolarHBondContact O-N 3.13Å; D29-T32 PolarHBondContact O-N 3.5Å; D29-L33 VanDerWaalsContact O-CB 3.26Å; D29-L33 WeakPolarHBondContact O-CB 3.07Å; D29-L33 PolarHBondContact O-N 2.94Å; D29-Q195 PolarHBondContact OD2-NE2 3.29Å; D29-K198 IonicContact OD1-NZ 3.21Å; D29-K198 PolarHBondContact OD1-NZ 3.02Å; D29-K198 IonicContact OD2-NZ 3.06Å; D29-K198 PolarHBondContact OD2-NZ 3.5Å
30A95.8Very high95.2Very high9 Ų957.9 Ų57.97%0.07431%0.311CS..Hα-helixtrans-64.3-39.1177.100000112.6F26 E27 T34 L191 L194F26-A30 WeakPolarHBondContact O-CB 3.42Å; F26-A30 PolarHBondContact O-N 3.07Å; E27-A30 PolarHBondContact O-N 2.78Å; A30-T34 WeakPolarHBondContact O-CB 3.13Å; A30-T34 PolarHBondContact O-N 3.48Å; A30-T34 PolarHBondContact O-OG1 3.47Å; A30-L191 HydrophobicContact CB-CD2 4.28Å; A30-L194 HydrophobicContact CB-CD2 3.92Å
31G95.9Very high95.6Very high33 Ų3355.2 Ų55.234%0.3430%0.302SS..Hα-helixtrans-61.8-51.1173.200000111.8E27 E28 D29 L33 T34 D35E27-G31 PolarHBondContact O-N 3.28Å; E28-G31 PolarHBondContact O-N 2.86Å; D29-G31 PolarHBondContact O-N 3.13Å; G31-L33 VanDerWaalsContact C-N 3.3Å; G31-L33 PolarHBondContact O-N 3.33Å; G31-T34 WeakPolarHBondContact O-CB 3.04Å; G31-T34 PolarHBondContact O-N 3.27Å; G31-D35 PolarHBondContact O-N 3.15Å
32T97.3Very high96Very high92 Ų9258 Ų5856%0.56431%0.307SS*.Hα-helixtrans-59.7-40.9178-54.20000111.9E28 D29 T34 D35 Y36E28-T32 WeakPolarHBondContact O-CB 3.46Å; E28-T32 PolarHBondContact O-N 3.47Å; E28-T32 PolarHBondContact O-OG1 3.4Å; D29-T32 PolarHBondContact O-N 3.5Å; T32-T34 VanDerWaalsContact C-N 3.34Å; T32-D35 PolarHBondContact O-N 2.95Å; T32-Y36 WeakPolarHBondContact O-CB 3.47Å; T32-Y36 PolarHBondContact O-N 2.93Å
33L97.1Very high96.3Very high18 Ų1857.4 Ų57.49%0.09431%0.311CS..Hα-helixtrans-63-40.1175.3178.163.7000111.9D29 G31 Y36 T37 F118 L123 L194 K198D29-L33 VanDerWaalsContact O-CB 3.26Å; D29-L33 WeakPolarHBondContact O-CB 3.07Å; D29-L33 PolarHBondContact O-N 2.94Å; G31-L33 VanDerWaalsContact C-N 3.3Å; G31-L33 PolarHBondContact O-N 3.33Å; L33-Y36 PolarHBondContact O-N 3.39Å; L33-T37 HydrophobicContact CD1-CG2 4.09Å; L33-T37 HydrophobicContact CG-CG2 4.48Å; L33-T37 WeakPolarHBondContact O-CB 3.48Å; L33-T37 VanDerWaalsContact O-CG2 3.29Å; L33-T37 WeakPolarHBondContact O-CG2 3.43Å; L33-T37 PolarHBondContact O-N 2.93Å; L33-T37 PolarHBondContact O-OG1 3.05Å; L33-F118 HydrophobicContact CD2-CE1 4.35Å; L33-F118 HydrophobicContact CD2-CZ 4.07Å; L33-L123 HydrophobicContact CD2-CD2 4.27Å; L33-L194 HydrophobicContact CD2-CD1 4.17Å; L33-L194 HydrophobicContact CD2-CD2 4.25Å; L33-L194 HydrophobicContact CD2-CG 4.18Å; L33-K198 HydrophobicContact CD1-CB 4.15Å; L33-K198 HydrophobicContact CD2-CB 3.6Å; L33-K198 HydrophobicContact CD2-CD 4.07Å
34T97.3Very high96.6Very high45 Ų4557.6 Ų57.628%0.27631%0.312SS..Hα-helixtrans-63-45.7177.4-580000110.9A30 G31 T32 T37 N38 L123A30-T34 WeakPolarHBondContact O-CB 3.13Å; A30-T34 PolarHBondContact O-N 3.48Å; A30-T34 PolarHBondContact O-OG1 3.47Å; G31-T34 WeakPolarHBondContact O-CB 3.04Å; G31-T34 PolarHBondContact O-N 3.27Å; T32-T34 VanDerWaalsContact C-N 3.34Å; T34-T37 WeakPolarHBondContact CA-OG1 3.3Å; T34-T37 PolarHBondContact O-N 2.77Å; T34-T37 PolarHBondContact O-OG1 3.03Å; T34-N38 VanDerWaalsContact O-CG 3.22Å; T34-N38 PolarHBondContact O-N 2.75Å; T34-N38 PolarHBondContact O-ND2 2.94Å; T34-N38 VanDerWaalsContact O-ND2 3.13Å; T34-L123 HydrophobicContact CG2-CD1 4.26Å
35D97.6Very high96.9Very high99 Ų9959.6 Ų59.653%0.52932%0.317SS..Hα-helixtrans-64.2-43.9178-69.4-25000112.3G31 T32 N38 Q39G31-D35 PolarHBondContact O-N 3.15Å; T32-D35 PolarHBondContact O-N 2.95Å; D35-N38 PolarHBondContact O-N 3.34Å; D35-Q39 PolarHBondContact O-N 3.3Å
36Y97.9Very high97Very high126 Ų12665.7 Ų65.749%0.49433%0.331SS..Hα-helixtrans-61.6-45.7176.6176.3-96.8000112T32 L33 N38 Q39 L40 M202T32-Y36 WeakPolarHBondContact O-CB 3.47Å; T32-Y36 PolarHBondContact O-N 2.93Å; L33-Y36 PolarHBondContact O-N 3.39Å; Y36-N38 VanDerWaalsContact C-N 3.31Å; Y36-N38 PolarHBondContact O-N 3.2Å; Y36-Q39 PolarHBondContact O-N 3.36Å; Y36-L40 HydrophobicContact CE1-CB 4.37Å; Y36-L40 HydrophobicContact CE1-CD2 3.99Å; Y36-L40 WeakPolarHBondContact O-CB 3.2Å; Y36-L40 PolarHBondContact O-N 3.11Å; Y36-M202 HydrophobicContact CD1-SD 4.33Å; Y36-M202 HydrophobicContact CE1-SD 3.76Å
37T97.6Very high97.2Very high0 Ų068.4 Ų68.40%035%0.348CS..Hα-helixtrans-66-32.5-179.850.40000112.8L33 T34 L40 L41 F118 L123 M202L33-T37 HydrophobicContact CD1-CG2 4.09Å; L33-T37 HydrophobicContact CG-CG2 4.48Å; L33-T37 WeakPolarHBondContact O-CB 3.48Å; L33-T37 VanDerWaalsContact O-CG2 3.29Å; L33-T37 WeakPolarHBondContact O-CG2 3.43Å; L33-T37 PolarHBondContact O-N 2.93Å; L33-T37 PolarHBondContact O-OG1 3.05Å; T34-T37 WeakPolarHBondContact CA-OG1 3.3Å; T34-T37 PolarHBondContact O-N 2.77Å; T34-T37 PolarHBondContact O-OG1 3.03Å; T37-L40 PolarHBondContact O-N 3.48Å; T37-L41 VanDerWaalsContact O-CB 3.27Å; T37-L41 WeakPolarHBondContact O-CB 3.43Å; T37-L41 PolarHBondContact O-N 3.34Å; T37-F118 HydrophobicContact CG2-CD1 4.2Å; T37-F118 HydrophobicContact CG2-CE1 4Å; T37-L123 WeakPolarHBondContact OG1-CD1 3.4Å; T37-M202 HydrophobicContact CG2-CE 3.55Å
38N96.7Very high97.4Very high43 Ų4369.8 Ų69.823%0.2335%0.352CS..Hα-helixtrans-61.1-45.7171.6-70.3-34000111.6T34 D35 Y36 Q42 R119T34-N38 VanDerWaalsContact O-CG 3.22Å; T34-N38 PolarHBondContact O-N 2.75Å; T34-N38 PolarHBondContact O-ND2 2.94Å; T34-N38 VanDerWaalsContact O-ND2 3.13Å; D35-N38 PolarHBondContact O-N 3.34Å; Y36-N38 VanDerWaalsContact C-N 3.31Å; Y36-N38 PolarHBondContact O-N 3.2Å; N38-Q42 WeakPolarHBondContact O-CG 3.12Å; N38-Q42 PolarHBondContact O-N 2.97Å; N38-Q42 VanDerWaalsContact O-N 3.14Å; N38-R119 WeakPolarHBondContact OD1-CD 3.18Å; N38-R119 PolarHBondContact OD1-NE 3.21Å
39Q98.1Very high97.6Very high131 Ų13164.9 Ų64.961%0.61234%0.337SS*.Hα-helixtrans-67.4-41.7178-65.3178.729.400111.8D35 Y36 Q42 A43D35-Q39 PolarHBondContact O-N 3.3Å; Y36-Q39 PolarHBondContact O-N 3.36Å; Q39-Q42 PolarHBondContact O-N 3.34Å; Q39-A43 PolarHBondContact O-N 2.87Å
40L97.9Very high97.8Very high35 Ų3565.2 Ų65.218%0.18335%0.348CS..Hα-helixtrans-62.4-43.7177.2-176.862.3000111.6Y36 T37 Q42 A43 M44 I115 M202Y36-L40 HydrophobicContact CE1-CB 4.37Å; Y36-L40 HydrophobicContact CE1-CD2 3.99Å; Y36-L40 WeakPolarHBondContact O-CB 3.2Å; Y36-L40 PolarHBondContact O-N 3.11Å; T37-L40 PolarHBondContact O-N 3.48Å; L40-Q42 VanDerWaalsContact C-N 3.35Å; L40-Q42 PolarHBondContact O-N 2.72Å; L40-A43 PolarHBondContact O-N 3.27Å; L40-M44 HydrophobicContact CD1-CE 3.93Å; L40-M44 HydrophobicContact CD2-CE 3.91Å; L40-M44 HydrophobicContact CG-CE 3.77Å; L40-M44 HydrophobicContact CG-SD 4.2Å; L40-M44 WeakPolarHBondContact O-CG 3.45Å; L40-M44 PolarHBondContact O-N 3.22Å; L40-I115 HydrophobicContact CD2-CD1 4.3Å; L40-M202 HydrophobicContact CD2-SD 3.7Å
41L97.8Very high97.9Very high12 Ų1266.1 Ų66.16%0.06335%0.35CS..Hα-helixtrans-59.9-45.3176.8178.156.9000111.3T37 A43 M44 Q45 V112 I115 I116T37-L41 VanDerWaalsContact O-CB 3.27Å; T37-L41 WeakPolarHBondContact O-CB 3.43Å; T37-L41 PolarHBondContact O-N 3.34Å; L41-A43 VanDerWaalsContact C-N 3.32Å; L41-A43 PolarHBondContact O-N 2.87Å; L41-M44 PolarHBondContact O-N 3.29Å; L41-Q45 HydrophobicContact CD1-CG 3.95Å; L41-Q45 HydrophobicContact CG-CG 4.33Å; L41-Q45 WeakPolarHBondContact O-CB 3.46Å; L41-Q45 VanDerWaalsContact O-CG 3.3Å; L41-Q45 WeakPolarHBondContact O-CG 3.43Å; L41-Q45 PolarHBondContact O-N 2.68Å; L41-V112 HydrophobicContact CD1-CG1 4.11Å; L41-I115 HydrophobicContact CB-CG2 3.77Å; L41-I115 HydrophobicContact CD1-CB 4.4Å; L41-I115 HydrophobicContact CD1-CG2 3.94Å; L41-I115 HydrophobicContact CG-CG2 4.28Å; L41-I116 HydrophobicContact CD1-CD1 4.34Å; L41-I116 HydrophobicContact CD1-CG1 3.64Å; L41-I116 HydrophobicContact CD2-CG1 4.08Å
42Q98.3Very high98Very high132 Ų13267.5 Ų67.562%0.61735%0.35SS*.Hα-helixtrans-59.8-42.8176.6-72.1173.58.900111.9N38 Q39 L40 Q45 R46N38-Q42 WeakPolarHBondContact O-CG 3.12Å; N38-Q42 PolarHBondContact O-N 2.97Å; N38-Q42 VanDerWaalsContact O-N 3.14Å; Q39-Q42 PolarHBondContact O-N 3.34Å; L40-Q42 VanDerWaalsContact C-N 3.35Å; L40-Q42 PolarHBondContact O-N 2.72Å; Q42-Q45 PolarHBondContact O-N 3.06Å; Q42-R46 WeakPolarHBondContact O-CB 3.33Å; Q42-R46 PolarHBondContact O-N 3.14Å
43A98.5Very high98Very high55 Ų5568.6 Ų68.646%0.45535%0.349SS..Hα-helixtrans-63-45.2176.500000111.8Q39 L40 L41 R46 V47Q39-A43 PolarHBondContact O-N 2.87Å; L40-A43 PolarHBondContact O-N 3.27Å; L41-A43 VanDerWaalsContact C-N 3.32Å; L41-A43 PolarHBondContact O-N 2.87Å; A43-R46 WeakPolarHBondContact O-CB 3.03Å; A43-R46 PolarHBondContact O-N 3.32Å; A43-V47 WeakPolarHBondContact O-CG2 3.5Å; A43-V47 PolarHBondContact O-N 3.19Å
44M98.4Very high98.1Very high8 Ų871.6 Ų71.64%0.03936%0.363CS..Hα-helixtrans-63.9-42.3177.2-73.6176.1173.100112.7L40 L41 R46 V47 Y48 M111 V112 I115 P205 M206L40-M44 HydrophobicContact CD1-CE 3.93Å; L40-M44 HydrophobicContact CD2-CE 3.91Å; L40-M44 HydrophobicContact CG-CE 3.77Å; L40-M44 HydrophobicContact CG-SD 4.2Å; L40-M44 WeakPolarHBondContact O-CG 3.45Å; L40-M44 PolarHBondContact O-N 3.22Å; L41-M44 PolarHBondContact O-N 3.29Å; M44-R46 VanDerWaalsContact C-N 3.3Å; M44-R46 PolarHBondContact O-N 2.86Å; M44-V47 PolarHBondContact O-N 3.01Å; M44-Y48 PolarHBondContact O-N 3.39Å; M44-M111 HydrophobicContact CB-CE 3.99Å; M44-M111 HydrophobicContact CB-CG 4.47Å; M44-M111 HydrophobicContact CB-SD 4.37Å; M44-M111 HydrophobicContact CE-CG 4.1Å; M44-M111 HydrophobicContact CG-CE 4.32Å; M44-M111 HydrophobicContact CG-CG 4.02Å; M44-M111 HydrophobicContact CG-SD 4.04Å; M44-M111 HydrophobicContact SD-CG 3.89Å; M44-V112 HydrophobicContact CB-CG2 4.29Å; M44-I115 HydrophobicContact CE-CG1 4.03Å; M44-I115 HydrophobicContact SD-CB 4.35Å; M44-I115 HydrophobicContact SD-CG1 3.64Å; M44-P205 HydrophobicContact CE-CB 3.6Å; M44-P205 HydrophobicContact CE-CG 4.29Å; M44-P205 HydrophobicContact SD-CB 4.39Å; M44-M206 HydrophobicContact CE-CE 3.31Å
45Q98.3Very high98.1Very high88 Ų8869.9 Ų69.941%0.41135%0.353SS..Hα-helixtrans-62.6-38175.2-76.5176.7-32.600111.5L41 Q42 Y48 G49 V112L41-Q45 HydrophobicContact CD1-CG 3.95Å; L41-Q45 HydrophobicContact CG-CG 4.33Å; L41-Q45 WeakPolarHBondContact O-CB 3.46Å; L41-Q45 VanDerWaalsContact O-CG 3.3Å; L41-Q45 WeakPolarHBondContact O-CG 3.43Å; L41-Q45 PolarHBondContact O-N 2.68Å; Q42-Q45 PolarHBondContact O-N 3.06Å; Q45-Y48 PolarHBondContact O-N 3.45Å; Q45-G49 PolarHBondContact O-N 2.91Å; Q45-V112 HydrophobicContact CG-CG1 4.01Å
46R98.6Very high98.1Very high208 Ų20869 Ų6979%0.78535%0.347SS*.Hα-helixtrans-64.8-42174.3-174.2179.1180-175.90.5112.1Q42 A43 M44 G49 A50Q42-R46 WeakPolarHBondContact O-CB 3.33Å; Q42-R46 PolarHBondContact O-N 3.14Å; A43-R46 WeakPolarHBondContact O-CB 3.03Å; A43-R46 PolarHBondContact O-N 3.32Å; M44-R46 VanDerWaalsContact C-N 3.3Å; M44-R46 PolarHBondContact O-N 2.86Å; R46-G49 PolarHBondContact O-N 3Å; R46-A50 WeakPolarHBondContact O-CB 3.42Å; R46-A50 PolarHBondContact O-N 2.81Å
47V98.6Very high98.2Very high67 Ų6765.5 Ų65.541%0.40634%0.344SS..Hα-helixtrans-61.9-48175.31710000110.7A43 M44 A50 Q51 L107 M111 F209A43-V47 WeakPolarHBondContact O-CG2 3.5Å; A43-V47 PolarHBondContact O-N 3.19Å; M44-V47 PolarHBondContact O-N 3.01Å; V47-A50 PolarHBondContact O-N 3.12Å; V47-Q51 PolarHBondContact O-N 3.29Å; V47-L107 HydrophobicContact CG1-CD1 4.41Å; V47-M111 HydrophobicContact CB-CE 4.46Å; V47-M111 HydrophobicContact CG1-CE 4.34Å; V47-F209 HydrophobicContact CG1-CE2 4.32Å
48Y98.4Very high98.2Very high76 Ų7665.9 Ų65.930%0.29835%0.347SS..Hα-helixtrans-59.6-45.9175.4165.7-104.9000112.1M44 Q45 A50 Q51 N52 A104 L107 A108 V112M44-Y48 PolarHBondContact O-N 3.39Å; Q45-Y48 PolarHBondContact O-N 3.45Å; Y48-A50 PolarHBondContact O-N 3.32Å; Y48-Q51 WeakPolarHBondContact O-CB 3.42Å; Y48-Q51 PolarHBondContact O-N 3.27Å; Y48-N52 PolarHBondContact O-N 2.94Å; Y48-A104 WeakPolarHBondContact CD2-O 3.32Å; Y48-A104 HydrophobicContact CE2-CB 4.36Å; Y48-A104 VanDerWaalsContact CE2-O 3.3Å; Y48-A104 WeakPolarHBondContact CE2-O 3.32Å; Y48-L107 HydrophobicContact CD2-CB 4.32Å; Y48-A108 HydrophobicContact CD2-CB 4.09Å; Y48-A108 HydrophobicContact CE2-CB 3.69Å; Y48-V112 HydrophobicContact CG-CG2 4.42Å
49G98.3Very high98.2Very high29 Ų2969 Ų6930%0.29936%0.36SS..Hα-helixtrans-59.6-43.5177.800000112.5Q45 R46 Q51 N52 E53Q45-G49 PolarHBondContact O-N 2.91Å; R46-G49 PolarHBondContact O-N 3Å; G49-Q51 VanDerWaalsContact C-N 3.35Å; G49-Q51 PolarHBondContact O-N 3.05Å; G49-N52 PolarHBondContact O-N 3.24Å; G49-E53 PolarHBondContact O-N 3.48Å
50A98.7Very high98.2Very high64 Ų6469.4 Ų69.453%0.52936%0.362SS..Hα-helixtrans-62.7-40.1175.200000112.5R46 V47 Y48 N52 E53 M54R46-A50 WeakPolarHBondContact O-CB 3.42Å; R46-A50 PolarHBondContact O-N 2.81Å; V47-A50 PolarHBondContact O-N 3.12Å; Y48-A50 PolarHBondContact O-N 3.32Å; A50-N52 VanDerWaalsContact C-N 3.33Å; A50-E53 PolarHBondContact O-N 2.92Å; A50-M54 PolarHBondContact O-N 2.98Å
51Q98.4Very high98.3Very high28 Ų2872 Ų7213%0.13138%0.376CS..Hα-helixtrans-64.9-37.8175-179.164.526.900111.8V47 Y48 G49 M54 C55 H100 L103 A104 L107V47-Q51 PolarHBondContact O-N 3.29Å; Y48-Q51 WeakPolarHBondContact O-CB 3.42Å; Y48-Q51 PolarHBondContact O-N 3.27Å; G49-Q51 VanDerWaalsContact C-N 3.35Å; G49-Q51 PolarHBondContact O-N 3.05Å; Q51-M54 WeakPolarHBondContact O-CB 3.38Å; Q51-M54 PolarHBondContact O-N 2.96Å; Q51-C55 PolarHBondContact O-N 2.86Å; Q51-C55 PolarHBondContact O-SG 2.96Å; Q51-H100 VanDerWaalsContact NE2-CA 3.28Å; Q51-H100 PolarHBondContact NE2-ND1 3.49Å; Q51-H100 PolarHBondContact NE2-O 3.32Å; Q51-L103 HydrophobicContact CG-CD2 4.44Å; Q51-L103 HydrophobicContact CG-CG 4.26Å; Q51-A104 HydrophobicContact CG-CB 3.86Å; Q51-L107 HydrophobicContact CB-CD1 4.11Å; Q51-L107 HydrophobicContact CG-CD1 4.13Å
52N97.7Very high98.3Very high61 Ų6171.6 Ų71.633%0.32637%0.374SS..Hα-helixtrans-67.1-43.1176.3-169.874.7000111.8Y48 G49 A50 M54 C55 L56Y48-N52 PolarHBondContact O-N 2.94Å; G49-N52 PolarHBondContact O-N 3.24Å; A50-N52 VanDerWaalsContact C-N 3.33Å; N52-M54 VanDerWaalsContact C-N 3.27Å; N52-M54 PolarHBondContact O-N 3.45Å; N52-C55 VanDerWaalsContact O-CB 3.25Å; N52-C55 WeakPolarHBondContact O-CB 3.15Å; N52-C55 PolarHBondContact O-N 3.38Å; N52-L56 PolarHBondContact O-N 2.99Å
53E98.4Very high98.3Very high116 Ų11673 Ų7354%0.54238%0.378SS..Hα-helixtrans-59.3-37.4173.5-75.7-59.5132.100112.2G49 A50 C55 L56 A57G49-E53 PolarHBondContact O-N 3.48Å; A50-E53 PolarHBondContact O-N 2.92Å; E53-C55 VanDerWaalsContact C-N 3.27Å; E53-C55 PolarHBondContact O-N 2.98Å; E53-L56 PolarHBondContact O-N 2.74Å; E53-A57 WeakPolarHBondContact O-CB 3.07Å; E53-A57 PolarHBondContact O-N 3.14Å
54M98.2Very high98.2Very high81 Ų8176.5 Ų76.540%0.39939%0.385SS..Hα-helixtrans-61.2-35174.1-171.762.6-177.800112.5A50 Q51 N52 T58 H100A50-M54 PolarHBondContact O-N 2.98Å; Q51-M54 WeakPolarHBondContact O-CB 3.38Å; Q51-M54 PolarHBondContact O-N 2.96Å; N52-M54 VanDerWaalsContact C-N 3.27Å; N52-M54 PolarHBondContact O-N 3.45Å; M54-T58 HydrophobicContact CE-CG2 3.81Å; M54-T58 WeakPolarHBondContact O-CB 3.48Å; M54-T58 WeakPolarHBondContact O-CG2 3.48Å; M54-T58 PolarHBondContact O-N 3.26Å; M54-T58 PolarHBondContact O-OG1 3.16Å; M54-T58 HydrophobicContact SD-CG2 4.37Å; M54-H100 WeakPolarHBondContact CG-CE1 3.49Å; M54-H100 WeakPolarHBondContact CG-ND1 3.39Å
55C98.2Very high98.2Very high8 Ų877.8 Ų77.85%0.05439%0.392CS..Hα-helixtrans-63.6-47.4174.1-52.50000110.7Q51 N52 E53 A57 T58 Q59 N97 H100Q51-C55 PolarHBondContact O-N 2.86Å; Q51-C55 PolarHBondContact O-SG 2.96Å; N52-C55 VanDerWaalsContact O-CB 3.25Å; N52-C55 WeakPolarHBondContact O-CB 3.15Å; N52-C55 PolarHBondContact O-N 3.38Å; E53-C55 VanDerWaalsContact C-N 3.27Å; E53-C55 PolarHBondContact O-N 2.98Å; C55-A57 PolarHBondContact O-N 3.24Å; C55-T58 PolarHBondContact O-N 3.28Å; C55-T58 PolarHBondContact O-OG1 3.23Å; C55-Q59 WeakPolarHBondContact O-CB 3.5Å; C55-Q59 PolarHBondContact O-N 3.09Å; C55-N97 WeakPolarHBondContact CA-OD1 3.5Å; C55-N97 PolarHBondContact O-OD1 3.4Å; C55-N97 VanDerWaalsContact O-OD1 3.08Å; C55-H100 PolarHBondContact SG-O 3.38Å
56L97.9Very high98.1Very high81 Ų8176.5 Ų76.542%0.42439%0.387SS..Hα-helixtrans-63.4-44.1179.5-60.8179000111.8N52 E53 Q59 Q60N52-L56 PolarHBondContact O-N 2.99Å; E53-L56 PolarHBondContact O-N 2.74Å; L56-Q59 PolarHBondContact O-N 2.95Å; L56-Q60 WeakPolarHBondContact O-CB 3.3Å; L56-Q60 PolarHBondContact O-N 3.41Å
57A98.6Very high98Very high52 Ų5267.6 Ų67.643%0.4336%0.358SS..Hα-helixtrans-62.8-43.7179.300000112.2E53 C55 Q60 L61E53-A57 WeakPolarHBondContact O-CB 3.07Å; E53-A57 PolarHBondContact O-N 3.14Å; C55-A57 PolarHBondContact O-N 3.24Å; A57-Q60 PolarHBondContact O-N 2.95Å; A57-L61 WeakPolarHBondContact O-CB 3.41Å; A57-L61 PolarHBondContact O-N 3.02Å
58T97.9Very high97.8Very high8 Ų868.2 Ų68.25%0.04935%0.354CS..Hα-helixtrans-69.7-39.7178.449.50000112.1M54 C55 Q60 L61 S62 V93 N97M54-T58 HydrophobicContact CE-CG2 3.81Å; M54-T58 WeakPolarHBondContact O-CB 3.48Å; M54-T58 WeakPolarHBondContact O-CG2 3.48Å; M54-T58 PolarHBondContact O-N 3.26Å; M54-T58 PolarHBondContact O-OG1 3.16Å; M54-T58 HydrophobicContact SD-CG2 4.37Å; C55-T58 PolarHBondContact O-N 3.28Å; C55-T58 PolarHBondContact O-OG1 3.23Å; T58-Q60 VanDerWaalsContact C-N 3.33Å; T58-Q60 PolarHBondContact O-N 3.19Å; T58-L61 PolarHBondContact O-N 3.03Å; T58-S62 PolarHBondContact O-N 3.45Å; T58-V93 WeakPolarHBondContact O-CG1 3.47Å; T58-N97 WeakPolarHBondContact OG1-CB 3.4Å; T58-N97 PolarHBondContact OG1-OD1 3.4Å
59Q97.7Very high97.5Very high110 Ų11069.5 Ų69.551%0.51436%0.362SS..Hα-helixtrans-58.8-44.4172-173.2-178.614.300111.9C55 L56 K63C55-Q59 WeakPolarHBondContact O-CB 3.5Å; C55-Q59 PolarHBondContact O-N 3.09Å; L56-Q59 PolarHBondContact O-N 2.95Å; Q59-K63 PolarHBondContact O-N 3.4Å; Q59-K63 VanDerWaalsContact O-N 3.11Å
60Q98.3Very high97.1Very high139 Ų13975.8 Ų75.865%0.6538%0.381SS*.Hα-helixtrans-65.1-41.8177.5-175.6177.97.300111.8L56 A57 T58 K63 Q64L56-Q60 WeakPolarHBondContact O-CB 3.3Å; L56-Q60 PolarHBondContact O-N 3.41Å; A57-Q60 PolarHBondContact O-N 2.95Å; T58-Q60 VanDerWaalsContact C-N 3.33Å; T58-Q60 PolarHBondContact O-N 3.19Å; Q60-K63 PolarHBondContact O-N 3.32Å; Q60-Q64 WeakPolarHBondContact O-CB 3.5Å; Q60-Q64 PolarHBondContact O-N 2.9Å
61L98.6Very high96.6Very high89 Ų8977.5 Ų77.547%0.46638%0.379SS..Hα-helixtrans-58.4-49.8176.717661.2000111.2A57 T58 K63 Q64 L65 V93A57-L61 WeakPolarHBondContact O-CB 3.41Å; A57-L61 PolarHBondContact O-N 3.02Å; T58-L61 PolarHBondContact O-N 3.03Å; L61-K63 VanDerWaalsContact C-N 3.34Å; L61-K63 PolarHBondContact O-N 3.4Å; L61-Q64 PolarHBondContact O-N 2.9Å; L61-Q64 VanDerWaalsContact O-N 3.12Å; L61-L65 HydrophobicContact CD1-CG 4.41Å; L61-L65 HydrophobicContact CG-CD1 4.38Å; L61-L65 WeakPolarHBondContact O-CG 3.47Å; L61-L65 PolarHBondContact O-N 3Å; L61-V93 HydrophobicContact CB-CG1 4.28Å; L61-V93 HydrophobicContact CD2-CG1 4.14Å; L61-V93 HydrophobicContact CD2-CG2 4.11Å; L61-V93 HydrophobicContact CG-CG1 4.26Å
62S98.4Very high96Very high3 Ų381.6 Ų81.62%0.02140%0.401CS..Hα-helixtrans-57-47.5177.3177.90000111.8T58 Q64 L65 L66 S90 D94T58-S62 PolarHBondContact O-N 3.45Å; S62-Q64 VanDerWaalsContact C-N 3.27Å; S62-Q64 PolarHBondContact O-N 3.32Å; S62-L65 PolarHBondContact O-N 3.43Å; S62-L66 PolarHBondContact O-N 3.32Å; S62-L66 VanDerWaalsContact O-N 3.17Å; S62-S90 PolarHBondContact OG-O 2.9Å; S62-S90 PolarHBondContact OG-OG 3.41Å; S62-D94 WeakPolarHBondContact CB-OD1 3.44Å; S62-D94 PolarHBondContact OG-OD1 3.21Å; S62-D94 PolarHBondContact OG-OD2 3.36Å; S62-D94 VanDerWaalsContact OG-OD2 3.08Å
63K97.6Very high95.4Very high162 Ų16283 Ų8370%0.70441%0.405SS*.Hα-helixtrans-58.1-39.6176.7-175179.7178.2-177.50112.3Q59 Q60 L61 L66 A67Q59-K63 PolarHBondContact O-N 3.4Å; Q59-K63 VanDerWaalsContact O-N 3.11Å; Q60-K63 PolarHBondContact O-N 3.32Å; L61-K63 VanDerWaalsContact C-N 3.34Å; L61-K63 PolarHBondContact O-N 3.4Å; K63-L66 PolarHBondContact O-N 2.87Å; K63-A67 PolarHBondContact O-N 3.2Å; K63-A67 VanDerWaalsContact O-N 3.08Å
64Q98.1Very high94.4Very high128 Ų12882.8 Ų82.860%0.59842%0.423SS*.Hα-helixtrans-70.5-35.4-179.9-168.561.531.400112.3Q60 L61 S62 A67Q60-Q64 WeakPolarHBondContact O-CB 3.5Å; Q60-Q64 PolarHBondContact O-N 2.9Å; L61-Q64 PolarHBondContact O-N 2.9Å; L61-Q64 VanDerWaalsContact O-N 3.12Å; S62-Q64 VanDerWaalsContact C-N 3.27Å; S62-Q64 PolarHBondContact O-N 3.32Å; Q64-A67 WeakPolarHBondContact O-CB 3.5Å; Q64-A67 PolarHBondContact O-N 2.94Å
65L97.8Very high93.3Very high36 Ų3687.7 Ų87.719%0.18845%0.45CS..Hα-helixtrans-62.5-45.1174.3-66.3170.5000111.1L61 S62 A67 Y68 L86 F89 V93L61-L65 HydrophobicContact CD1-CG 4.41Å; L61-L65 HydrophobicContact CG-CD1 4.38Å; L61-L65 WeakPolarHBondContact O-CG 3.47Å; L61-L65 PolarHBondContact O-N 3Å; S62-L65 PolarHBondContact O-N 3.43Å; L65-A67 VanDerWaalsContact C-N 3.25Å; L65-A67 PolarHBondContact O-N 3.44Å; L65-Y68 WeakPolarHBondContact O-CB 3.36Å; L65-Y68 PolarHBondContact O-N 3Å; L65-L86 HydrophobicContact CD2-CD2 3.7Å; L65-F89 HydrophobicContact CD1-CB 4.07Å; L65-V93 HydrophobicContact CD1-CG2 4.35Å
66L96.6Very high91.9Very high61 Ų6189.3 Ų89.332%0.31947%0.467SS..Hα-helixtrans-68.4-23.2175.8-61.9178000113.4S62 K63 Y68 H87 S90S62-L66 PolarHBondContact O-N 3.32Å; S62-L66 VanDerWaalsContact O-N 3.17Å; K63-L66 PolarHBondContact O-N 2.87Å; L66-Y68 PolarHBondContact O-N 3.5Å; L66-H87 VanDerWaalsContact CD2-CD2 3.49Å; L66-H87 WeakPolarHBondContact CD2-CD2 3.12Å; L66-S90 WeakPolarHBondContact CD1-OG 3.39Å; L66-S90 WeakPolarHBondContact CD2-OG 3.44Å; L66-S90 VanDerWaalsContact CG-OG 3.22Å; L66-S90 WeakPolarHBondContact CG-OG 3.41Å
67A95.4Very high90.5Very high21 Ų2194.8 Ų94.817%0.17449%0.488CS..THydrogen-bonded Turntrans-70.5-15.7178.700000112.9K63 Q64 L65 K70 Q71K63-A67 PolarHBondContact O-N 3.2Å; K63-A67 VanDerWaalsContact O-N 3.08Å; Q64-A67 WeakPolarHBondContact O-CB 3.5Å; Q64-A67 PolarHBondContact O-N 2.94Å; L65-A67 VanDerWaalsContact C-N 3.25Å; L65-A67 PolarHBondContact O-N 3.44Å; A67-K70 PolarHBondContact O-N 2.99Å; A67-Q71 WeakPolarHBondContact O-CG 3.21Å; A67-Q71 PolarHBondContact O-N 3.23Å; A67-Q71 PolarHBondContact O-NE2 3.05Å
68Y94.6Very high89.1Confident79 Ų7993.1 Ų93.131%0.3148%0.476SS..THydrogen-bonded Turntrans-63-46.8179.3-178.9-97.7000112.7L65 L66 K70 Q71 F73 V82 I83 L86L65-Y68 WeakPolarHBondContact O-CB 3.36Å; L65-Y68 PolarHBondContact O-N 3Å; L66-Y68 PolarHBondContact O-N 3.5Å; Y68-K70 PolarHBondContact O-N 3.45Å; Y68-Q71 WeakPolarHBondContact O-CB 3.27Å; Y68-Q71 PolarHBondContact O-N 2.95Å; Y68-F73 HydrophobicContact CD2-CE2 4.37Å; Y68-F73 HydrophobicContact CD2-CZ 4.01Å; Y68-F73 HydrophobicContact CE1-CE2 4.38Å; Y68-F73 AromaticContact CE2-CE2 3.91Å; Y68-F73 HydrophobicContact CE2-CE2 3.91Å; Y68-F73 AromaticContact CE2-CZ 3.56Å; Y68-F73 HydrophobicContact CE2-CZ 3.56Å; Y68-F73 AromaticContact CZ-CE2 3.92Å; Y68-V82 HydrophobicContact CE1-CG1 4.03Å; Y68-I83 HydrophobicContact CD1-CG1 4.02Å; Y68-I83 HydrophobicContact CE1-CG1 3.99Å; Y68-L86 HydrophobicContact CD1-CD1 3.45Å; Y68-L86 VanDerWaalsContact CD1-CD1 3.45Å; Y68-L86 HydrophobicContact CD2-CD1 4.22Å; Y68-L86 HydrophobicContact CE1-CD1 4.04Å; Y68-L86 HydrophobicContact CG-CD1 3.55Å
69E91.8Very high88.4Confident103 Ų10396.9 Ų96.948%0.48150%0.496SS..THydrogen-bonded Turntrans-60.8-30.3177.8-177.2-174.5-15000112.1Q71 I83 H87E69-Q71 VanDerWaalsContact C-N 3.26Å; E69-Q71 PolarHBondContact O-N 3.38Å; E69-I83 HydrophobicContact CB-CG2 4.02Å; E69-I83 HydrophobicContact CG-CD1 4.38Å; E69-I83 HydrophobicContact CG-CG2 3.99Å; E69-H87 IonicContact OE1-CE1 2.81Å; E69-H87 IonicContact OE2-CE1 3.46Å; E69-H87 PolarHBondContact OE2-CE1 3.33Å; E69-H87 IonicContact OE2-NE2 2.94Å; E69-H87 PolarHBondContact OE2-NE2 3.33Å
70K89.9Confident88Confident161 Ų16197.5 Ų97.570%0.750%0.498SS*.THydrogen-bonded Turntrans-80.8-4.6-180-57.3-178.2-177.9-179.20113.3A67 Y68A67-K70 PolarHBondContact O-N 2.99Å; Y68-K70 PolarHBondContact O-N 3.45Å
71Q89.2Confident87.6Confident101 Ų10196.2 Ų96.247%0.47249%0.492SS..SBendtrans-79.3132.2176.9-60.8-51-56.300110.5A67 Y68 E69 F73A67-Q71 WeakPolarHBondContact O-CG 3.21Å; A67-Q71 PolarHBondContact O-N 3.23Å; A67-Q71 PolarHBondContact O-NE2 3.05Å; Y68-Q71 WeakPolarHBondContact O-CB 3.27Å; Y68-Q71 PolarHBondContact O-N 2.95Å; E69-Q71 VanDerWaalsContact C-N 3.26Å; E69-Q71 PolarHBondContact O-N 3.38Å; Q71-F73 HydrophobicContact CB-CD2 4.31Å; Q71-F73 HydrophobicContact CB-CE1 4.16Å; Q71-F73 HydrophobicContact CB-CE2 3.71Å; Q71-F73 HydrophobicContact CB-CZ 3.62Å; Q71-F73 HydrophobicContact CG-CZ 4.23Å; Q71-F73 PolarHBondContact O-N 3.34Å
72N85.6Confident87.4Confident114 Ų11494 Ų9461%0.6148%0.482SS*.  trans-88.389.8176.9-68-19.3000110.6E577N72-E577 PolarHBondContact ND2-OE1 3.06Å; N72-E577 PolarHBondContact ND2-OE2 2.84Å
73F84.6Confident87.2Confident91 Ų9194.3 Ų94.340%0.39948%0.484SS..  trans-76.8126.8174-57.7-72.1000110.6Y68 Q71 L75 G76Y68-F73 HydrophobicContact CD2-CE2 4.37Å; Y68-F73 HydrophobicContact CD2-CZ 4.01Å; Y68-F73 HydrophobicContact CE1-CE2 4.38Å; Y68-F73 AromaticContact CE2-CE2 3.91Å; Y68-F73 HydrophobicContact CE2-CE2 3.91Å; Y68-F73 AromaticContact CE2-CZ 3.56Å; Y68-F73 HydrophobicContact CE2-CZ 3.56Å; Y68-F73 AromaticContact CZ-CE2 3.92Å; Q71-F73 HydrophobicContact CB-CD2 4.31Å; Q71-F73 HydrophobicContact CB-CE1 4.16Å; Q71-F73 HydrophobicContact CB-CE2 3.71Å; Q71-F73 HydrophobicContact CB-CZ 3.62Å; Q71-F73 HydrophobicContact CG-CZ 4.23Å; Q71-F73 PolarHBondContact O-N 3.34Å; F73-L75 PolarHBondContact O-N 2.89Å; F73-L75 VanDerWaalsContact O-N 3.11Å; F73-G76 WeakPolarHBondContact CB-O 3.5Å; F73-G76 PolarHBondContact O-N 3.37Å; F73-G76 VanDerWaalsContact O-O 3.12Å
74A77.9Confident87.1Confident111 Ų11189.8 Ų89.892%0.91747%0.473SS*.THydrogen-bonded Turntrans-64-19-175.600000114.5
75L74.8Confident87Confident184 Ų18484.7 Ų84.796%0.96345%0.45SS*.THydrogen-bonded Turntrans-92.7-7-176.8-63.9175.8000113.6F73F73-L75 PolarHBondContact O-N 2.89Å; F73-L75 VanDerWaalsContact O-N 3.11Å
76G69.8Low87Confident41 Ų4184.7 Ų84.742%0.42345%0.45SS..SBendtrans147.1173.7-179.400000112.5F73F73-G76 WeakPolarHBondContact CB-O 3.5Å; F73-G76 PolarHBondContact O-N 3.37Å; F73-G76 VanDerWaalsContact O-O 3.12Å
77K67.5Low87.1Confident197 Ų19784.9 Ų84.986%0.85745%0.449SS*.SBendtrans-62.6141.5166.6-67.8-172.9176.2-173.30108.4
78G69.8Low87.1Confident17 Ų1787.3 Ų87.318%0.17545%0.454CS..PPolyproline II helixtrans-55.3156.1177.700000111.5E80 I83G78-E80 PolarHBondContact O-N 2.95Å; G78-I83 WeakPolarHBondContact O-CD1 3.42Å
79D83.1Confident87.3Confident87 Ų8786.4 Ų86.447%0.46545%0.452SS..PPolyproline II helixtrans-57.8122.5178.3-169.9-17.4000110.8E81 V82 I83D79-E81 PolarHBondContact O-N 2.92Å; D79-E81 PolarHBondContact OD1-N 2.94Å; D79-V82 HydrophobicContact CB-CB 4.2Å; D79-V82 HydrophobicContact CB-CG2 3.93Å; D79-V82 PolarHBondContact O-N 3.49Å; D79-I83 WeakPolarHBondContact O-CG1 3.48Å; D79-I83 PolarHBondContact O-N 3.41Å
80E88.6Confident87.6Confident123 Ų12381.7 Ų81.758%0.57543%0.431SS*.Hα-helixtrans-58.1-32.8-179.7-69.9-69.8160.200111.7G78 I83 S84G78-E80 PolarHBondContact O-N 2.95Å; E80-I83 PolarHBondContact O-N 3.21Å; E80-S84 VanDerWaalsContact O-CB 3.3Å; E80-S84 WeakPolarHBondContact O-CB 3.33Å; E80-S84 PolarHBondContact O-N 3.42Å; E80-S84 PolarHBondContact O-OG 3.5Å
81E90.6Very high88Confident111 Ų11179.7 Ų79.752%0.51942%0.422SS..Hα-helixtrans-67-39.5176.6-63.8-170.9-178.500111.4D79 S84 T85 M238D79-E81 PolarHBondContact O-N 2.92Å; D79-E81 PolarHBondContact OD1-N 2.94Å; E81-S84 PolarHBondContact O-OG 2.87Å; E81-T85 VanDerWaalsContact O-CB 3.3Å; E81-T85 WeakPolarHBondContact O-CB 3.15Å; E81-T85 PolarHBondContact O-N 3.37Å; E81-T85 VanDerWaalsContact O-N 3.1Å; E81-T85 PolarHBondContact O-OG1 3.34Å; E81-M238 HydrophobicContact CB-CE 4.18Å
82V93.3Very high88.4Confident43 Ų4375.5 Ų75.526%0.26140%0.403SS..Hα-helixtrans-71-43.8176177.80000110.5Y68 D79 T85 L86Y68-V82 HydrophobicContact CE1-CG1 4.03Å; D79-V82 HydrophobicContact CB-CB 4.2Å; D79-V82 HydrophobicContact CB-CG2 3.93Å; D79-V82 PolarHBondContact O-N 3.49Å; V82-T85 PolarHBondContact O-N 3.24Å; V82-L86 HydrophobicContact CG1-CD1 3.91Å; V82-L86 HydrophobicContact CG1-CG 4.32Å; V82-L86 WeakPolarHBondContact O-CB 3.24Å; V82-L86 VanDerWaalsContact O-CG 3.28Å; V82-L86 WeakPolarHBondContact O-CG 3.4Å; V82-L86 PolarHBondContact O-N 2.77Å
83I94.4Very high89Confident10 Ų1071.1 Ų71.15%0.05138%0.38CS..Hα-helixtrans-60.3-50.1178.5-68165.6000110.6Y68 E69 G78 D79 E80 T85 L86 H87Y68-I83 HydrophobicContact CD1-CG1 4.02Å; Y68-I83 HydrophobicContact CE1-CG1 3.99Å; E69-I83 HydrophobicContact CB-CG2 4.02Å; E69-I83 HydrophobicContact CG-CD1 4.38Å; E69-I83 HydrophobicContact CG-CG2 3.99Å; G78-I83 WeakPolarHBondContact O-CD1 3.42Å; D79-I83 WeakPolarHBondContact O-CG1 3.48Å; D79-I83 PolarHBondContact O-N 3.41Å; E80-I83 PolarHBondContact O-N 3.21Å; I83-T85 VanDerWaalsContact C-N 3.31Å; I83-T85 PolarHBondContact O-N 2.91Å; I83-L86 PolarHBondContact O-N 2.79Å; I83-H87 PolarHBondContact O-N 2.93Å
84S95.7Very high89.6Confident67 Ų6769.8 Ų69.847%0.46938%0.378SS..Hα-helixtrans-62.1-38.2178.959.70000112.6E80 E81 H87 Y88E80-S84 VanDerWaalsContact O-CB 3.3Å; E80-S84 WeakPolarHBondContact O-CB 3.33Å; E80-S84 PolarHBondContact O-N 3.42Å; E80-S84 PolarHBondContact O-OG 3.5Å; E81-S84 PolarHBondContact O-OG 2.87Å; S84-H87 PolarHBondContact O-N 2.96Å; S84-Y88 PolarHBondContact O-N 3.49Å
85T96.9Very high90.5Very high20 Ų2068.6 Ų68.612%0.12335%0.353CS..Hα-helixtrans-63.7-45.9174.2-62.10000111.6E81 V82 I83 H87 Y88 F89 F231 V235E81-T85 VanDerWaalsContact O-CB 3.3Å; E81-T85 WeakPolarHBondContact O-CB 3.15Å; E81-T85 PolarHBondContact O-N 3.37Å; E81-T85 VanDerWaalsContact O-N 3.1Å; E81-T85 PolarHBondContact O-OG1 3.34Å; V82-T85 PolarHBondContact O-N 3.24Å; I83-T85 VanDerWaalsContact C-N 3.31Å; I83-T85 PolarHBondContact O-N 2.91Å; T85-H87 PolarHBondContact O-N 3.49Å; T85-Y88 PolarHBondContact O-N 3.13Å; T85-F89 HydrophobicContact CG2-CD2 3.85Å; T85-F89 HydrophobicContact CG2-CE2 3.64Å; T85-F89 VanDerWaalsContact O-CD2 3.27Å; T85-F89 WeakPolarHBondContact O-CD2 3.48Å; T85-F89 PolarHBondContact O-N 2.9Å; T85-F231 HydrophobicContact CG2-CZ 4.21Å; T85-V235 HydrophobicContact CG2-CG1 4.19Å; T85-V235 HydrophobicContact CG2-CG2 3.85Å
86L97.6Very high91.6Very high37 Ų3761.3 Ų61.319%0.19432%0.315CS..Hα-helixtrans-64.7-37.1177-70.5172.2000112.4L65 Y68 V82 I83 Y88 F89 S90L65-L86 HydrophobicContact CD2-CD2 3.7Å; Y68-L86 HydrophobicContact CD1-CD1 3.45Å; Y68-L86 VanDerWaalsContact CD1-CD1 3.45Å; Y68-L86 HydrophobicContact CD2-CD1 4.22Å; Y68-L86 HydrophobicContact CE1-CD1 4.04Å; Y68-L86 HydrophobicContact CG-CD1 3.55Å; V82-L86 HydrophobicContact CG1-CD1 3.91Å; V82-L86 HydrophobicContact CG1-CG 4.32Å; V82-L86 WeakPolarHBondContact O-CB 3.24Å; V82-L86 VanDerWaalsContact O-CG 3.28Å; V82-L86 WeakPolarHBondContact O-CG 3.4Å; V82-L86 PolarHBondContact O-N 2.77Å; I83-L86 PolarHBondContact O-N 2.79Å; L86-Y88 VanDerWaalsContact C-N 3.34Å; L86-F89 PolarHBondContact O-N 2.86Å; L86-S90 WeakPolarHBondContact O-CB 3.49Å; L86-S90 PolarHBondContact O-N 2.99Å
87H97.2Very high93Very high65 Ų6560.4 Ų60.430%0.30130%0.3SS..Hα-helixtrans-61.2-42.4172.5-76.2-176.8000111.8L66 E69 I83 S84 T85 S90 K91L66-H87 VanDerWaalsContact CD2-CD2 3.49Å; L66-H87 WeakPolarHBondContact CD2-CD2 3.12Å; E69-H87 IonicContact OE1-CE1 2.81Å; E69-H87 IonicContact OE2-CE1 3.46Å; E69-H87 PolarHBondContact OE2-CE1 3.33Å; E69-H87 IonicContact OE2-NE2 2.94Å; E69-H87 PolarHBondContact OE2-NE2 3.33Å; I83-H87 PolarHBondContact O-N 2.93Å; S84-H87 PolarHBondContact O-N 2.96Å; T85-H87 PolarHBondContact O-N 3.49Å; H87-S90 PolarHBondContact O-N 3.47Å; H87-K91 PolarHBondContact O-N 2.79Å
88Y97.2Very high94.4Very high71 Ų7155.3 Ų55.328%0.27829%0.286SS..Hα-helixtrans-64.8-44.6176.3-168.6-96.4000111.7S84 T85 L86 S90 K91 V92 H227 M228 F231S84-Y88 PolarHBondContact O-N 3.49Å; T85-Y88 PolarHBondContact O-N 3.13Å; L86-Y88 VanDerWaalsContact C-N 3.34Å; Y88-S90 PolarHBondContact O-N 3.24Å; Y88-K91 WeakPolarHBondContact O-CB 3.45Å; Y88-K91 PolarHBondContact O-N 2.94Å; Y88-V92 HydrophobicContact CD1-CG2 4.12Å; Y88-V92 HydrophobicContact CE1-CG2 3.88Å; Y88-V92 WeakPolarHBondContact O-CG2 3.37Å; Y88-V92 PolarHBondContact O-N 3.05Å; Y88-H227 PolarHBondContact OH-CE1 2.88Å; Y88-M228 HydrophobicContact CE1-CE 4.02Å; Y88-M228 HydrophobicContact CE1-SD 4.24Å; Y88-F231 AromaticContact CD1-CD1 3.82Å; Y88-F231 HydrophobicContact CD1-CD1 3.82Å; Y88-F231 AromaticContact CD1-CD2 4Å; Y88-F231 HydrophobicContact CD1-CD2 4Å; Y88-F231 AromaticContact CD1-CE1 3.41Å; Y88-F231 HydrophobicContact CD1-CE1 3.41Å; Y88-F231 VanDerWaalsContact CD1-CE1 3.41Å; Y88-F231 AromaticContact CD1-CE2 3.6Å; Y88-F231 HydrophobicContact CD1-CE2 3.6Å; Y88-F231 HydrophobicContact CD1-CG 4.09Å; Y88-F231 AromaticContact CD1-CZ 3.29Å; Y88-F231 HydrophobicContact CD1-CZ 3.29Å; Y88-F231 AromaticContact CE1-CD1 3.67Å; Y88-F231 HydrophobicContact CE1-CD1 3.67Å; Y88-F231 AromaticContact CE1-CD2 3.99Å; Y88-F231 HydrophobicContact CE1-CD2 3.99Å; Y88-F231 AromaticContact CE1-CE1 3.78Å; Y88-F231 HydrophobicContact CE1-CE1 3.78Å; Y88-F231 HydrophobicContact CE1-CE2 4.09Å; Y88-F231 AromaticContact CE1-CG 3.78Å; Y88-F231 HydrophobicContact CE1-CG 3.78Å; Y88-F231 AromaticContact CE1-CZ 3.99Å; Y88-F231 HydrophobicContact CE1-CZ 3.99Å; Y88-F231 HydrophobicContact CG-CE2 4.08Å; Y88-F231 AromaticContact CG-CZ 4Å; Y88-F231 HydrophobicContact CG-CZ 4Å
89F98.1Very high95.8Very high61 Ų6155.3 Ų55.327%0.26828%0.281SS..Hα-helixtrans-60.6-42.5174.3-82.1-67.2000112.7L65 T85 L86 K91 V92 V93 F231 L232 V235L65-F89 HydrophobicContact CD1-CB 4.07Å; T85-F89 HydrophobicContact CG2-CD2 3.85Å; T85-F89 HydrophobicContact CG2-CE2 3.64Å; T85-F89 VanDerWaalsContact O-CD2 3.27Å; T85-F89 WeakPolarHBondContact O-CD2 3.48Å; T85-F89 PolarHBondContact O-N 2.9Å; L86-F89 PolarHBondContact O-N 2.86Å; F89-K91 VanDerWaalsContact C-N 3.33Å; F89-K91 PolarHBondContact O-N 3.33Å; F89-V92 PolarHBondContact O-N 3.16Å; F89-V93 VanDerWaalsContact O-CG2 3.29Å; F89-V93 WeakPolarHBondContact O-CG2 3.36Å; F89-V93 PolarHBondContact O-N 2.97Å; F89-F231 HydrophobicContact CD1-CE1 4.49Å; F89-F231 HydrophobicContact CD2-CE1 4.41Å; F89-F231 HydrophobicContact CD2-CZ 4.41Å; F89-F231 HydrophobicContact CE1-CE1 4Å; F89-F231 AromaticContact CE2-CE1 3.9Å; F89-F231 HydrophobicContact CE2-CE1 3.9Å; F89-F231 HydrophobicContact CE2-CZ 4.06Å; F89-F231 AromaticContact CZ-CE1 3.68Å; F89-F231 HydrophobicContact CZ-CE1 3.68Å; F89-F231 HydrophobicContact CZ-CZ 4.31Å; F89-L232 HydrophobicContact CE1-CD2 3.75Å; F89-L232 HydrophobicContact CZ-CD2 3.8Å; F89-V235 HydrophobicContact CE2-CG1 4.34Å; F89-V235 HydrophobicContact CE2-CG2 4.44Å
90S98.4Very high96.5Very high4 Ų451.8 Ų51.83%0.02826%0.262CS..Hα-helixtrans-56.8-47.1175.1163.80000111.3S62 L66 L86 H87 Y88 V92 V93 D94S62-S90 PolarHBondContact OG-O 2.9Å; S62-S90 PolarHBondContact OG-OG 3.41Å; L66-S90 WeakPolarHBondContact CD1-OG 3.39Å; L66-S90 WeakPolarHBondContact CD2-OG 3.44Å; L66-S90 VanDerWaalsContact CG-OG 3.22Å; L66-S90 WeakPolarHBondContact CG-OG 3.41Å; L86-S90 WeakPolarHBondContact O-CB 3.49Å; L86-S90 PolarHBondContact O-N 2.99Å; H87-S90 PolarHBondContact O-N 3.47Å; Y88-S90 PolarHBondContact O-N 3.24Å; S90-V92 VanDerWaalsContact C-N 3.33Å; S90-V92 PolarHBondContact O-N 3.38Å; S90-V93 PolarHBondContact O-N 2.99Å; S90-D94 PolarHBondContact O-N 2.91Å
91K97.4Very high97Very high119 Ų11949.4 Ų49.452%0.51726%0.256SS..Hα-helixtrans-58.3-44.4176.6-176.5-177.8174.5-174.50112.2H87 Y88 F89 D94 E95H87-K91 PolarHBondContact O-N 2.79Å; Y88-K91 WeakPolarHBondContact O-CB 3.45Å; Y88-K91 PolarHBondContact O-N 2.94Å; F89-K91 VanDerWaalsContact C-N 3.33Å; F89-K91 PolarHBondContact O-N 3.33Å; K91-D94 PolarHBondContact O-N 2.86Å; K91-E95 WeakPolarHBondContact CE-OE1 3.35Å; K91-E95 WeakPolarHBondContact O-CG 3.34Å; K91-E95 PolarHBondContact O-N 3.39Å
92V97.6Very high97.3Very high13 Ų1347.7 Ų47.78%0.07925%0.248CC..Hα-helixtrans-63.7-42.2177.7174.60000111.2Y88 F89 S90 D94 E95 L96 F224 M228Y88-V92 HydrophobicContact CD1-CG2 4.12Å; Y88-V92 HydrophobicContact CE1-CG2 3.88Å; Y88-V92 WeakPolarHBondContact O-CG2 3.37Å; Y88-V92 PolarHBondContact O-N 3.05Å; F89-V92 PolarHBondContact O-N 3.16Å; S90-V92 VanDerWaalsContact C-N 3.33Å; S90-V92 PolarHBondContact O-N 3.38Å; V92-D94 VanDerWaalsContact C-N 3.34Å; V92-E95 PolarHBondContact O-N 3.33Å; V92-L96 WeakPolarHBondContact O-CB 3.4Å; V92-L96 PolarHBondContact O-N 2.84Å; V92-F224 HydrophobicContact CG1-CE1 3.88Å; V92-F224 HydrophobicContact CG1-CZ 4.46Å; V92-M228 HydrophobicContact CB-CE 4.28Å; V92-M228 HydrophobicContact CG1-CE 3.85Å; V92-M228 HydrophobicContact CG2-CE 3.37Å; V92-M228 HydrophobicContact CG2-SD 4.43Å
93V98.3Very high97.6Very high21 Ų2145.9 Ų45.913%0.12724%0.237CC..Hα-helixtrans-65.2-37.6176.9173.60000111.3T58 L61 L65 F89 S90 L96 N97T58-V93 WeakPolarHBondContact O-CG1 3.47Å; L61-V93 HydrophobicContact CB-CG1 4.28Å; L61-V93 HydrophobicContact CD2-CG1 4.14Å; L61-V93 HydrophobicContact CD2-CG2 4.11Å; L61-V93 HydrophobicContact CG-CG1 4.26Å; L65-V93 HydrophobicContact CD1-CG2 4.35Å; F89-V93 VanDerWaalsContact O-CG2 3.29Å; F89-V93 WeakPolarHBondContact O-CG2 3.36Å; F89-V93 PolarHBondContact O-N 2.97Å; S90-V93 PolarHBondContact O-N 2.99Å; V93-L96 PolarHBondContact O-N 2.89Å; V93-N97 WeakPolarHBondContact O-CB 3.4Å; V93-N97 PolarHBondContact O-N 3.25Å
94D97.8Very high97.8Very high64 Ų6445.6 Ų45.634%0.34224%0.236SC..Hα-helixtrans-65.2-44.9174.5-79.2-20.4000112S62 S90 K91 V92 L96 N97 V98S62-D94 WeakPolarHBondContact CB-OD1 3.44Å; S62-D94 PolarHBondContact OG-OD1 3.21Å; S62-D94 PolarHBondContact OG-OD2 3.36Å; S62-D94 VanDerWaalsContact OG-OD2 3.08Å; S90-D94 PolarHBondContact O-N 2.91Å; K91-D94 PolarHBondContact O-N 2.86Å; V92-D94 VanDerWaalsContact C-N 3.34Å; D94-L96 VanDerWaalsContact C-N 3.28Å; D94-L96 PolarHBondContact O-N 3.36Å; D94-N97 WeakPolarHBondContact O-CB 3.38Å; D94-N97 PolarHBondContact O-N 2.9Å; D94-V98 WeakPolarHBondContact O-CG2 3.3Å; D94-V98 PolarHBondContact O-N 2.81Å
95E96.9Very high97.9Very high86 Ų8649 Ų4940%0.40224%0.243SC..Hα-helixtrans-60.2-41174.9-70.2178.8-163.600110.9K91 V92 V98 L99 M223K91-E95 WeakPolarHBondContact CE-OE1 3.35Å; K91-E95 WeakPolarHBondContact O-CG 3.34Å; K91-E95 PolarHBondContact O-N 3.39Å; V92-E95 PolarHBondContact O-N 3.33Å; E95-V98 WeakPolarHBondContact O-CB 3.36Å; E95-V98 PolarHBondContact O-N 3.29Å; E95-L99 PolarHBondContact O-N 3.35Å; E95-M223 VanDerWaalsContact C-CE 3.47Å; E95-M223 HydrophobicContact CB-CE 3.6Å; E95-M223 HydrophobicContact CB-SD 4.17Å; E95-M223 WeakPolarHBondContact O-CE 3.35Å
96L98.1Very high98Very high31 Ų3150 Ų5016%0.16225%0.245CC..Hα-helixtrans-64-41.2174.6179.262000112.2V92 V93 D94 V98 L99 H100 F216 M223 F224V92-L96 WeakPolarHBondContact O-CB 3.4Å; V92-L96 PolarHBondContact O-N 2.84Å; V93-L96 PolarHBondContact O-N 2.89Å; D94-L96 VanDerWaalsContact C-N 3.28Å; D94-L96 PolarHBondContact O-N 3.36Å; L96-V98 VanDerWaalsContact C-N 3.28Å; L96-V98 PolarHBondContact O-N 3.22Å; L96-L99 WeakPolarHBondContact O-CB 3.28Å; L96-L99 PolarHBondContact O-N 2.77Å; L96-L99 VanDerWaalsContact O-N 3.1Å; L96-H100 PolarHBondContact O-CD2 2.87Å; L96-H100 VanDerWaalsContact O-CD2 3.31Å; L96-H100 PolarHBondContact O-N 3.16Å; L96-F216 HydrophobicContact CD1-CZ 4.48Å; L96-M223 HydrophobicContact CB-SD 4.12Å; L96-F224 HydrophobicContact CD1-CE2 4.1Å; L96-F224 HydrophobicContact CD1-CZ 4.39Å; L96-F224 HydrophobicContact CD2-CZ 4.19Å
97N98.3Very high98Very high21 Ų2148.2 Ų48.211%0.11224%0.236CC..Hα-helixtrans-60.5-37.6176178.134.8000111.8C55 T58 V93 D94 L99 H100 T101C55-N97 WeakPolarHBondContact CA-OD1 3.5Å; C55-N97 PolarHBondContact O-OD1 3.4Å; C55-N97 VanDerWaalsContact O-OD1 3.08Å; T58-N97 WeakPolarHBondContact OG1-CB 3.4Å; T58-N97 PolarHBondContact OG1-OD1 3.4Å; V93-N97 WeakPolarHBondContact O-CB 3.4Å; V93-N97 PolarHBondContact O-N 3.25Å; D94-N97 WeakPolarHBondContact O-CB 3.38Å; D94-N97 PolarHBondContact O-N 2.9Å; N97-L99 VanDerWaalsContact C-N 3.31Å; N97-L99 PolarHBondContact O-N 3.48Å; N97-H100 PolarHBondContact O-N 3.49Å; N97-T101 WeakPolarHBondContact O-CB 3.34Å; N97-T101 PolarHBondContact O-N 3.29Å; N97-T101 PolarHBondContact O-OG1 2.83Å
98V98.1Very high98Very high91 Ų9146.3 Ų46.355%0.55223%0.232SC*.Hα-helixtrans-59.2-43.1173.6173.80000111D94 E95 L96 T101 E102D94-V98 WeakPolarHBondContact O-CG2 3.3Å; D94-V98 PolarHBondContact O-N 2.81Å; E95-V98 WeakPolarHBondContact O-CB 3.36Å; E95-V98 PolarHBondContact O-N 3.29Å; L96-V98 VanDerWaalsContact C-N 3.28Å; L96-V98 PolarHBondContact O-N 3.22Å; V98-T101 PolarHBondContact O-N 3.05Å; V98-E102 PolarHBondContact O-N 3.06Å
99L98.3Very high98.1Very high16 Ų1646.8 Ų46.88%0.08424%0.239CC..Hα-helixtrans-64.4-41.6175.3-61.3-173000112.2E95 L96 N97 T101 E102 L103 F216 K219 M223E95-L99 PolarHBondContact O-N 3.35Å; L96-L99 WeakPolarHBondContact O-CB 3.28Å; L96-L99 PolarHBondContact O-N 2.77Å; L96-L99 VanDerWaalsContact O-N 3.1Å; N97-L99 VanDerWaalsContact C-N 3.31Å; N97-L99 PolarHBondContact O-N 3.48Å; L99-T101 VanDerWaalsContact C-N 3.3Å; L99-T101 PolarHBondContact O-N 3Å; L99-E102 PolarHBondContact O-N 3.34Å; L99-L103 WeakPolarHBondContact O-CB 3.25Å; L99-L103 PolarHBondContact O-N 3.4Å; L99-F216 HydrophobicContact CB-CD2 3.95Å; L99-F216 HydrophobicContact CB-CE2 3.86Å; L99-K219 HydrophobicContact CD1-CB 3.97Å; L99-K219 HydrophobicContact CD2-CB 3.71Å; L99-K219 HydrophobicContact CD2-CD 3.72Å; L99-K219 HydrophobicContact CD2-CG 4.36Å; L99-M223 HydrophobicContact CD1-CE 3.52Å; L99-M223 HydrophobicContact CG-CE 3.9Å
100H98.4Very high98.1Very high14 Ų1446.2 Ų46.27%0.06524%0.24CC..Hα-helixtrans-61.9-40.5175.9-79.8-70.8000112Q51 M54 C55 L96 N97 L103 A104 F216Q51-H100 VanDerWaalsContact NE2-CA 3.28Å; Q51-H100 PolarHBondContact NE2-ND1 3.49Å; Q51-H100 PolarHBondContact NE2-O 3.32Å; M54-H100 WeakPolarHBondContact CG-CE1 3.49Å; M54-H100 WeakPolarHBondContact CG-ND1 3.39Å; C55-H100 PolarHBondContact SG-O 3.38Å; L96-H100 PolarHBondContact O-CD2 2.87Å; L96-H100 VanDerWaalsContact O-CD2 3.31Å; L96-H100 PolarHBondContact O-N 3.16Å; N97-H100 PolarHBondContact O-N 3.49Å; H100-L103 PolarHBondContact O-N 2.9Å; H100-A104 WeakPolarHBondContact O-CB 3.39Å; H100-A104 PolarHBondContact O-N 2.87Å; H100-F216 AromaticContact CE1-CE2 3.82Å; H100-F216 AromaticContact CE1-CZ 3.45Å; H100-F216 VanDerWaalsContact CE1-CZ 3.45Å; H100-F216 WeakPolarHBondContact CE1-CZ 3.49Å; H100-F216 AromaticContact ND1-CE2 3.74Å; H100-F216 AromaticContact ND1-CZ 3.84Å; H100-F216 AromaticContact NE2-CZ 3.86Å
101T98.4Very high98.1Very high72 Ų7246.2 Ų46.244%0.44224%0.24SC..Hα-helixtrans-67-43.3178.7-59.30000111.4N97 V98 L99 A104 K105N97-T101 WeakPolarHBondContact O-CB 3.34Å; N97-T101 PolarHBondContact O-N 3.29Å; N97-T101 PolarHBondContact O-OG1 2.83Å; V98-T101 PolarHBondContact O-N 3.05Å; L99-T101 VanDerWaalsContact C-N 3.3Å; L99-T101 PolarHBondContact O-N 3Å; T101-A104 PolarHBondContact O-N 2.66Å; T101-K105 WeakPolarHBondContact O-CB 3.47Å; T101-K105 PolarHBondContact O-N 2.96Å
102E98.1Very high98.1Very high76 Ų7641.1 Ų41.136%0.35522%0.219SC..Hα-helixtrans-60.7-45.3174.6-172.2-178.3166.400111V98 L99 K105 Q106 K219V98-E102 PolarHBondContact O-N 3.06Å; L99-E102 PolarHBondContact O-N 3.34Å; E102-K105 PolarHBondContact O-N 3Å; E102-Q106 WeakPolarHBondContact O-CB 3.37Å; E102-Q106 PolarHBondContact O-N 3.2Å; E102-K219 IonicContact OE1-NZ 3.42Å; E102-K219 PolarHBondContact OE1-NZ 3.18Å; E102-K219 IonicContact OE2-NZ 3.54Å; E102-K219 PolarHBondContact OE2-NZ 3.14Å
103L98.6Very high98.1Very high4 Ų443.9 Ų43.92%0.02123%0.233CC..Hα-helixtrans-63.2-45.1176177.559.4000111.7Q51 L99 H100 K105 Q106 L107 G212 F216Q51-L103 HydrophobicContact CG-CD2 4.44Å; Q51-L103 HydrophobicContact CG-CG 4.26Å; L99-L103 WeakPolarHBondContact O-CB 3.25Å; L99-L103 PolarHBondContact O-N 3.4Å; H100-L103 PolarHBondContact O-N 2.9Å; L103-K105 VanDerWaalsContact C-N 3.31Å; L103-K105 PolarHBondContact O-N 3.24Å; L103-Q106 PolarHBondContact O-N 3.28Å; L103-L107 HydrophobicContact CD1-CD1 4.4Å; L103-L107 HydrophobicContact CD1-CD2 4.39Å; L103-L107 HydrophobicContact CD1-CG 4.05Å; L103-L107 HydrophobicContact CG-CD1 4.28Å; L103-L107 HydrophobicContact CG-CG 4.35Å; L103-L107 WeakPolarHBondContact O-CG 3.5Å; L103-L107 PolarHBondContact O-N 3.07Å; L103-G212 VanDerWaalsContact CD1-C 3.45Å; L103-F216 HydrophobicContact CB-CB 4.38Å; L103-F216 HydrophobicContact CB-CD2 4.01Å; L103-F216 HydrophobicContact CB-CG 4.45Å; L103-F216 HydrophobicContact CD1-CB 4.38Å; L103-F216 HydrophobicContact CD2-CB 3.86Å; L103-F216 HydrophobicContact CD2-CD1 4.16Å; L103-F216 HydrophobicContact CD2-CD2 3.8Å; L103-F216 HydrophobicContact CD2-CE2 4.42Å; L103-F216 HydrophobicContact CD2-CG 3.66Å; L103-F216 HydrophobicContact CG-CB 4.44Å
104A98.5Very high98.1Very high4 Ų444.2 Ų44.23%0.03324%0.235CC..Hα-helixtrans-56.8-47.4178.200000111Y48 Q51 H100 T101 L107 A108Y48-A104 WeakPolarHBondContact CD2-O 3.32Å; Y48-A104 HydrophobicContact CE2-CB 4.36Å; Y48-A104 VanDerWaalsContact CE2-O 3.3Å; Y48-A104 WeakPolarHBondContact CE2-O 3.32Å; Q51-A104 HydrophobicContact CG-CB 3.86Å; H100-A104 WeakPolarHBondContact O-CB 3.39Å; H100-A104 PolarHBondContact O-N 2.87Å; T101-A104 PolarHBondContact O-N 2.66Å; A104-L107 PolarHBondContact O-N 3.45Å; A104-A108 PolarHBondContact O-N 3.22Å
105K98.1Very high98.1Very high140 Ų14041.1 Ų41.161%0.60922%0.219SC*.Hα-helixtrans-60-47.2175.9-177.2176.1179.4178.60111.6T101 E102 L103 L107 A108 D109T101-K105 WeakPolarHBondContact O-CB 3.47Å; T101-K105 PolarHBondContact O-N 2.96Å; E102-K105 PolarHBondContact O-N 3Å; L103-K105 VanDerWaalsContact C-N 3.31Å; L103-K105 PolarHBondContact O-N 3.24Å; K105-L107 VanDerWaalsContact C-N 3.31Å; K105-L107 PolarHBondContact O-N 2.88Å; K105-A108 WeakPolarHBondContact O-CB 3.48Å; K105-A108 PolarHBondContact O-N 2.84Å; K105-D109 PolarHBondContact O-N 3.26Å
106Q97.7Very high98.2Very high39 Ų3938.8 Ų38.818%0.18221%0.209CC..Hα-helixtrans-62.7-37.6179.1-169.7165-13.900112.1E102 L103 T110E102-Q106 WeakPolarHBondContact O-CB 3.37Å; E102-Q106 PolarHBondContact O-N 3.2Å; L103-Q106 PolarHBondContact O-N 3.28Å; Q106-T110 HydrophobicContact CG-CG2 4.22Å; Q106-T110 WeakPolarHBondContact O-CB 3.29Å; Q106-T110 PolarHBondContact O-N 2.84Å; Q106-T110 PolarHBondContact O-OG1 3.22Å
107L98.3Very high98.2Very high1 Ų141.2 Ų41.21%0.00522%0.22CC..Hα-helixtrans-65.4-42.1173.8-70.3-177.4000112.4V47 Y48 Q51 L103 A104 K105 M111 V112 F209V47-L107 HydrophobicContact CG1-CD1 4.41Å; Y48-L107 HydrophobicContact CD2-CB 4.32Å; Q51-L107 HydrophobicContact CB-CD1 4.11Å; Q51-L107 HydrophobicContact CG-CD1 4.13Å; L103-L107 HydrophobicContact CD1-CD1 4.4Å; L103-L107 HydrophobicContact CD1-CD2 4.39Å; L103-L107 HydrophobicContact CD1-CG 4.05Å; L103-L107 HydrophobicContact CG-CD1 4.28Å; L103-L107 HydrophobicContact CG-CG 4.35Å; L103-L107 WeakPolarHBondContact O-CG 3.5Å; L103-L107 PolarHBondContact O-N 3.07Å; A104-L107 PolarHBondContact O-N 3.45Å; K105-L107 VanDerWaalsContact C-N 3.31Å; K105-L107 PolarHBondContact O-N 2.88Å; L107-M111 HydrophobicContact CB-CE 4.18Å; L107-M111 HydrophobicContact CD2-CE 4.08Å; L107-M111 HydrophobicContact CD2-SD 4.19Å; L107-M111 WeakPolarHBondContact O-CA 3.36Å; L107-M111 VanDerWaalsContact O-CB 3.29Å; L107-M111 WeakPolarHBondContact O-CB 3.47Å; L107-M111 PolarHBondContact O-N 3.31Å; L107-M111 VanDerWaalsContact O-N 3.08Å; L107-V112 PolarHBondContact O-N 2.9Å; L107-F209 HydrophobicContact CD2-CB 4.43Å; L107-F209 HydrophobicContact CD2-CD2 3.49Å; L107-F209 VanDerWaalsContact CD2-CD2 3.49Å; L107-F209 HydrophobicContact CD2-CE2 4.17Å; L107-F209 HydrophobicContact CD2-CG 4.36Å
108A98.3Very high98.1Very high24 Ų2440.5 Ų40.520%0.19822%0.215CC..Iπ-helixtrans-59.8-51.4175.400000111.1Y48 A104 K105 L113Y48-A108 HydrophobicContact CD2-CB 4.09Å; Y48-A108 HydrophobicContact CE2-CB 3.69Å; A104-A108 PolarHBondContact O-N 3.22Å; K105-A108 WeakPolarHBondContact O-CB 3.48Å; K105-A108 PolarHBondContact O-N 2.84Å; A108-L113 VanDerWaalsContact O-CB 3.24Å; A108-L113 WeakPolarHBondContact O-CB 3.26Å; A108-L113 PolarHBondContact O-N 3.45Å
109D98.3Very high98.1Very high82 Ų8241.1 Ų41.144%0.43921%0.208SC..Iπ-helixtrans-74.4-37.8-171.3-67.5-17.9000113K105K105-D109 PolarHBondContact O-N 3.26Å
110T98.1Very high98Very high48 Ų4846 Ų4629%0.29423%0.23SC..Iπ-helixtrans-110.2-12.2-168.771.60000114.7Q106 P205 G208Q106-T110 HydrophobicContact CG-CG2 4.22Å; Q106-T110 WeakPolarHBondContact O-CB 3.29Å; Q106-T110 PolarHBondContact O-N 2.84Å; Q106-T110 PolarHBondContact O-OG1 3.22Å; T110-P205 WeakPolarHBondContact O-CA 3.39Å; T110-G208 VanDerWaalsContact OG1-CA 3.25Å; T110-G208 WeakPolarHBondContact OG1-CA 3.44Å; T110-G208 PolarHBondContact OG1-O 3.46Å
111M98.2Very high97.9Very high4 Ų451.6 Ų51.62%0.0225%0.254CS..Iπ-helixtrans-116.1-55.8177.1178.1-169.970.500111.9M44 V47 L107 P205 F209M44-M111 HydrophobicContact CB-CE 3.99Å; M44-M111 HydrophobicContact CB-CG 4.47Å; M44-M111 HydrophobicContact CB-SD 4.37Å; M44-M111 HydrophobicContact CE-CG 4.1Å; M44-M111 HydrophobicContact CG-CE 4.32Å; M44-M111 HydrophobicContact CG-CG 4.02Å; M44-M111 HydrophobicContact CG-SD 4.04Å; M44-M111 HydrophobicContact SD-CG 3.89Å; V47-M111 HydrophobicContact CB-CE 4.46Å; V47-M111 HydrophobicContact CG1-CE 4.34Å; L107-M111 HydrophobicContact CB-CE 4.18Å; L107-M111 HydrophobicContact CD2-CE 4.08Å; L107-M111 HydrophobicContact CD2-SD 4.19Å; L107-M111 WeakPolarHBondContact O-CA 3.36Å; L107-M111 VanDerWaalsContact O-CB 3.29Å; L107-M111 WeakPolarHBondContact O-CB 3.47Å; L107-M111 PolarHBondContact O-N 3.31Å; L107-M111 VanDerWaalsContact O-N 3.08Å; M111-P205 HydrophobicContact CB-CB 4.46Å; M111-P205 HydrophobicContact CG-CB 4.1Å; M111-F209 HydrophobicContact CB-CB 4.48Å; M111-F209 HydrophobicContact CG-CB 4.4Å; M111-F209 HydrophobicContact SD-CB 4.03Å; M111-F209 HydrophobicContact SD-CD2 3.64Å; M111-F209 HydrophobicContact SD-CG 4.19Å
112V98.3Very high97.7Very high12 Ų1249.7 Ų49.77%0.07324%0.241CC..Iπ-helixtrans-75.2-50.6-173.9179.60000111.4L41 M44 Q45 Y48 L107 I115 I116L41-V112 HydrophobicContact CD1-CG1 4.11Å; M44-V112 HydrophobicContact CB-CG2 4.29Å; Q45-V112 HydrophobicContact CG-CG1 4.01Å; Y48-V112 HydrophobicContact CG-CG2 4.42Å; L107-V112 PolarHBondContact O-N 2.9Å; V112-I115 PolarHBondContact O-N 3.37Å; V112-I116 HydrophobicContact CG1-CD1 3.71Å; V112-I116 HydrophobicContact CG1-CG1 4.28Å; V112-I116 WeakPolarHBondContact O-CG1 3.38Å; V112-I116 PolarHBondContact O-N 3.42Å; V112-I116 VanDerWaalsContact O-N 3.11Å
113L97.9Very high97.7Very high71 Ų7146.8 Ų46.837%0.37223%0.228SC..Hα-helixtrans-58.7-43.4-175.2178.866000113.7A108 I115 I116 Q117A108-L113 VanDerWaalsContact O-CB 3.24Å; A108-L113 WeakPolarHBondContact O-CB 3.26Å; A108-L113 PolarHBondContact O-N 3.45Å; L113-I115 VanDerWaalsContact C-N 3.32Å; L113-I115 PolarHBondContact O-N 2.99Å; L113-I116 PolarHBondContact O-N 2.91Å; L113-Q117 HydrophobicContact CD1-CG 4.12Å; L113-Q117 HydrophobicContact CG-CG 4.34Å; L113-Q117 WeakPolarHBondContact O-CG 3.42Å; L113-Q117 PolarHBondContact O-N 3.42Å
114P98.1Very high97.5Very high28 Ų2850 Ų5018%0.18225%0.248CC..Hα-helixtrans-60.9-37.4178.3-25.535.9000113.5Q117 F118 P205P114-Q117 PolarHBondContact O-N 2.97Å; P114-F118 WeakPolarHBondContact O-CB 3.36Å; P114-F118 PolarHBondContact O-N 3.47Å; P114-P205 HydrophobicContact CB-CG 4.34Å
115I97.9Very high97.4Very high0 Ų053.7 Ų53.70%026%0.264CS..Hα-helixtrans-68.9-40.4175.4-69.3-62000111.5L40 L41 M44 V112 L113 Q117 F118 R119 A201 M202 P205L40-I115 HydrophobicContact CD2-CD1 4.3Å; L41-I115 HydrophobicContact CB-CG2 3.77Å; L41-I115 HydrophobicContact CD1-CB 4.4Å; L41-I115 HydrophobicContact CD1-CG2 3.94Å; L41-I115 HydrophobicContact CG-CG2 4.28Å; M44-I115 HydrophobicContact CE-CG1 4.03Å; M44-I115 HydrophobicContact SD-CB 4.35Å; M44-I115 HydrophobicContact SD-CG1 3.64Å; V112-I115 PolarHBondContact O-N 3.37Å; L113-I115 VanDerWaalsContact C-N 3.32Å; L113-I115 PolarHBondContact O-N 2.99Å; I115-Q117 VanDerWaalsContact C-N 3.33Å; I115-Q117 PolarHBondContact O-N 3.48Å; I115-F118 PolarHBondContact O-N 3.26Å; I115-R119 WeakPolarHBondContact O-CB 3.46Å; I115-R119 PolarHBondContact O-N 3.11Å; I115-A201 WeakPolarHBondContact CD1-O 3.41Å; I115-M202 HydrophobicContact CD1-CE 4.06Å; I115-P205 HydrophobicContact CD1-CG 3.76Å; I115-P205 HydrophobicContact CG1-CB 4.34Å; I115-P205 HydrophobicContact CG1-CG 3.63Å
116I97.9Very high97.2Very high37 Ų3747.4 Ų47.419%0.1924%0.238CC..Hα-helixtrans-58.9-48.2174.1-66.9175.6000109.7L41 V112 L113 F118 R119 E120L41-I116 HydrophobicContact CD1-CD1 4.34Å; L41-I116 HydrophobicContact CD1-CG1 3.64Å; L41-I116 HydrophobicContact CD2-CG1 4.08Å; V112-I116 HydrophobicContact CG1-CD1 3.71Å; V112-I116 HydrophobicContact CG1-CG1 4.28Å; V112-I116 WeakPolarHBondContact O-CG1 3.38Å; V112-I116 PolarHBondContact O-N 3.42Å; V112-I116 VanDerWaalsContact O-N 3.11Å; L113-I116 PolarHBondContact O-N 2.91Å; I116-F118 PolarHBondContact O-N 2.89Å; I116-R119 PolarHBondContact O-N 3.49Å; I116-E120 VanDerWaalsContact CG2-CD 3.5Å; I116-E120 HydrophobicContact CG2-CG 4.13Å; I116-E120 WeakPolarHBondContact O-CB 3.49Å; I116-E120 WeakPolarHBondContact O-CG 3.48Å; I116-E120 PolarHBondContact O-N 3.24Å
117Q97.7Very high97Very high82 Ų8248.5 Ų48.538%0.38325%0.25SC..Hα-helixtrans-62.8-41.8179.2-70.7-178.61.900112.4L113 P114 I115 R119 K121L113-Q117 HydrophobicContact CD1-CG 4.12Å; L113-Q117 HydrophobicContact CG-CG 4.34Å; L113-Q117 WeakPolarHBondContact O-CG 3.42Å; L113-Q117 PolarHBondContact O-N 3.42Å; P114-Q117 PolarHBondContact O-N 2.97Å; I115-Q117 VanDerWaalsContact C-N 3.33Å; I115-Q117 PolarHBondContact O-N 3.48Å; Q117-R119 VanDerWaalsContact C-N 3.32Å; Q117-R119 PolarHBondContact O-N 2.93Å; Q117-K121 VanDerWaalsContact O-CB 3.24Å; Q117-K121 WeakPolarHBondContact O-CB 3.45Å; Q117-K121 PolarHBondContact O-N 3.15Å
118F98Very high96.7Very high5 Ų552.4 Ų52.42%0.02227%0.274CS..Iπ-helixtrans-59.1-44.2175.2178.7-105.7000111.4L33 T37 P114 I115 I116 D122 L123 L194 R197 K198 A201 M202L33-F118 HydrophobicContact CD2-CE1 4.35Å; L33-F118 HydrophobicContact CD2-CZ 4.07Å; T37-F118 HydrophobicContact CG2-CD1 4.2Å; T37-F118 HydrophobicContact CG2-CE1 4Å; P114-F118 WeakPolarHBondContact O-CB 3.36Å; P114-F118 PolarHBondContact O-N 3.47Å; I115-F118 PolarHBondContact O-N 3.26Å; I116-F118 PolarHBondContact O-N 2.89Å; F118-D122 HydrophobicContact CD2-CB 3.85Å; F118-D122 WeakPolarHBondContact CD2-OD2 3.16Å; F118-D122 HydrophobicContact CE2-CB 3.96Å; F118-D122 WeakPolarHBondContact O-CA 3.44Å; F118-D122 VanDerWaalsContact O-CB 3.28Å; F118-D122 WeakPolarHBondContact O-CB 3.12Å; F118-D122 PolarHBondContact O-N 2.83Å; F118-L123 HydrophobicContact CD1-CD1 4.27Å; F118-L123 HydrophobicContact CD1-CG 4.27Å; F118-L123 HydrophobicContact CE1-CD1 3.98Å; F118-L123 HydrophobicContact CE1-CD2 3.93Å; F118-L123 HydrophobicContact CE1-CG 3.89Å; F118-L123 HydrophobicContact CZ-CD2 4.01Å; F118-L123 HydrophobicContact CZ-CG 4.32Å; F118-L123 PolarHBondContact O-N 3.47Å; F118-L194 HydrophobicContact CE2-CD1 3.99Å; F118-L194 HydrophobicContact CZ-CD1 3.72Å; F118-R197 HydrophobicContact CD2-CB 4.4Å; F118-R197 HydrophobicContact CE2-CB 3.77Å; F118-K198 HydrophobicContact CZ-CB 4.31Å; F118-A201 HydrophobicContact CB-CB 3.97Å; F118-A201 HydrophobicContact CD1-CB 3.89Å; F118-A201 HydrophobicContact CD2-CB 3.4Å; F118-A201 VanDerWaalsContact CD2-CB 3.4Å; F118-A201 HydrophobicContact CE1-CB 4.25Å; F118-A201 HydrophobicContact CE2-CB 3.83Å; F118-A201 HydrophobicContact CG-CB 3.46Å; F118-A201 VanDerWaalsContact CG-CB 3.46Å; F118-A201 HydrophobicContact CZ-CB 4.23Å; F118-M202 HydrophobicContact CE1-CE 4.49Å
119R97.1Very high96.3Very high105 Ų10552.5 Ų52.540%0.39627%0.271SS..Iπ-helixtrans-67.4-52.3178.1-178.5-177.8173.8-108.3-3.9112N38 I115 I116 Q117 L123 T124N38-R119 WeakPolarHBondContact OD1-CD 3.18Å; N38-R119 PolarHBondContact OD1-NE 3.21Å; I115-R119 WeakPolarHBondContact O-CB 3.46Å; I115-R119 PolarHBondContact O-N 3.11Å; I116-R119 PolarHBondContact O-N 3.49Å; Q117-R119 VanDerWaalsContact C-N 3.32Å; Q117-R119 PolarHBondContact O-N 2.93Å; R119-L123 WeakPolarHBondContact O-CB 3.44Å; R119-T124 PolarHBondContact O-N 2.98Å; R119-T124 PolarHBondContact O-OG1 3.41Å
120E96.2Very high95.9Very high117 Ų11752.2 Ų52.255%0.54727%0.266SS..Iπ-helixtrans-73.4-28.7-172-70.4-177.6171.700113.2I116 T124I116-E120 VanDerWaalsContact CG2-CD 3.5Å; I116-E120 HydrophobicContact CG2-CG 4.13Å; I116-E120 WeakPolarHBondContact O-CB 3.49Å; I116-E120 WeakPolarHBondContact O-CG 3.48Å; I116-E120 PolarHBondContact O-N 3.24Å; E120-T124 VanDerWaalsContact C-OG1 3.29Å; E120-T124 WeakPolarHBondContact O-CB 3.36Å; E120-T124 PolarHBondContact O-OG1 2.95Å
121K95.6Very high95.2Very high132 Ų13253.5 Ų53.557%0.57427%0.271SS*.Iπ-helixtrans-100.6-61.9179.3-59.9179.5179173.20111.6Q117 E125Q117-K121 VanDerWaalsContact O-CB 3.24Å; Q117-K121 WeakPolarHBondContact O-CB 3.45Å; Q117-K121 PolarHBondContact O-N 3.15Å; K121-E125 WeakPolarHBondContact O-CB 3.47Å; K121-E125 PolarHBondContact O-N 3.46Å
122D95.9Very high94.4Very high33 Ų3356.7 Ų56.718%0.17629%0.288CS..Iπ-helixtrans-74.8-46-167.8-56.9-43.3000112.3F118 E125 V126 R197F118-D122 HydrophobicContact CD2-CB 3.85Å; F118-D122 WeakPolarHBondContact CD2-OD2 3.16Å; F118-D122 HydrophobicContact CE2-CB 3.96Å; F118-D122 WeakPolarHBondContact O-CA 3.44Å; F118-D122 VanDerWaalsContact O-CB 3.28Å; F118-D122 WeakPolarHBondContact O-CB 3.12Å; F118-D122 PolarHBondContact O-N 2.83Å; D122-E125 PolarHBondContact O-N 3.27Å; D122-V126 WeakPolarHBondContact O-CG2 3.47Å; D122-V126 PolarHBondContact O-N 3.45Å; D122-V126 VanDerWaalsContact O-N 3.16Å; D122-R197 VanDerWaalsContact CG-CD 3.43Å; D122-R197 WeakPolarHBondContact OD1-CD 3.28Å; D122-R197 IonicContact OD1-CZ 2.77Å; D122-R197 IonicContact OD1-NE 2.86Å; D122-R197 IonicContact OD1-NH1 3.66Å; D122-R197 PolarHBondContact OD1-NH1 2.99Å
123L96.3Very high93.3Very high14 Ų1456.5 Ų56.57%0.07329%0.286CS..Iπ-helixtrans-71.3-38.2177.8-60.9-179.1000111.8L33 T34 T37 F118 R119 V126 S127 L194L33-L123 HydrophobicContact CD2-CD2 4.27Å; T34-L123 HydrophobicContact CG2-CD1 4.26Å; T37-L123 WeakPolarHBondContact OG1-CD1 3.4Å; F118-L123 HydrophobicContact CD1-CD1 4.27Å; F118-L123 HydrophobicContact CD1-CG 4.27Å; F118-L123 HydrophobicContact CE1-CD1 3.98Å; F118-L123 HydrophobicContact CE1-CD2 3.93Å; F118-L123 HydrophobicContact CE1-CG 3.89Å; F118-L123 HydrophobicContact CZ-CD2 4.01Å; F118-L123 HydrophobicContact CZ-CG 4.32Å; F118-L123 PolarHBondContact O-N 3.47Å; R119-L123 WeakPolarHBondContact O-CB 3.44Å; L123-V126 PolarHBondContact O-N 2.89Å; L123-S127 PolarHBondContact O-N 2.92Å; L123-L194 HydrophobicContact CD2-CD1 3.8Å; L123-L194 HydrophobicContact CD2-CD2 4.39Å
124T95.4Very high91.7Very high71 Ų7155.6 Ų55.644%0.43629%0.294SS..Hα-helixtrans-63.4-40.3173.6-50.90000112.2R119 E120 S127 T128R119-T124 PolarHBondContact O-N 2.98Å; R119-T124 PolarHBondContact O-OG1 3.41Å; E120-T124 VanDerWaalsContact C-OG1 3.29Å; E120-T124 WeakPolarHBondContact O-CB 3.36Å; E120-T124 PolarHBondContact O-OG1 2.95Å; T124-S127 PolarHBondContact O-N 3.33Å; T124-T128 WeakPolarHBondContact O-CB 3.27Å; T124-T128 PolarHBondContact O-N 3.36Å; T124-T128 PolarHBondContact O-OG1 3.2Å
125E95.5Very high89.5Confident82 Ų8259.4 Ų59.438%0.38331%0.312SS..Hα-helixtrans-57.9-48.5174.3177.1-177.6-164.900110.5K121 D122 S127 T128 L129 R197K121-E125 WeakPolarHBondContact O-CB 3.47Å; K121-E125 PolarHBondContact O-N 3.46Å; D122-E125 PolarHBondContact O-N 3.27Å; E125-S127 PolarHBondContact O-N 2.81Å; E125-T128 PolarHBondContact O-N 3Å; E125-L129 HydrophobicContact CG-CD1 4.08Å; E125-L129 WeakPolarHBondContact O-CB 3.26Å; E125-L129 WeakPolarHBondContact O-CG 3.15Å; E125-L129 PolarHBondContact O-N 3.03Å; E125-R197 IonicContact OE2-CZ 3.94Å; E125-R197 IonicContact OE2-NH1 2.72Å; E125-R197 PolarHBondContact OE2-NH1 3.36Å; E125-R197 IonicContact OE2-NH2 3.9Å
126V95.3Very high87Confident9 Ų963.2 Ų63.26%0.05534%0.344CS..Hα-helixtrans-63.2-42.5178.4171.90000111.5D122 L123 L129 K130 Y187 A190 L191 L194D122-V126 WeakPolarHBondContact O-CG2 3.47Å; D122-V126 PolarHBondContact O-N 3.45Å; D122-V126 VanDerWaalsContact O-N 3.16Å; L123-V126 PolarHBondContact O-N 2.89Å; V126-L129 PolarHBondContact O-N 2.89Å; V126-K130 WeakPolarHBondContact O-CB 3.49Å; V126-K130 PolarHBondContact O-N 3.47Å; V126-Y187 HydrophobicContact CG1-CE2 4.13Å; V126-A190 HydrophobicContact CG2-CB 4.2Å; V126-L191 HydrophobicContact CG1-CD2 3.78Å; V126-L194 HydrophobicContact CG1-CD2 4.38Å; V126-L194 HydrophobicContact CG2-CB 4.41Å; V126-L194 HydrophobicContact CG2-CD2 4.18Å
127S93.4Very high84.1Confident61 Ų6165.8 Ų65.843%0.42737%0.365SS..Hα-helixtrans-62.9-44.8176-168.20000111.8L123 T124 E125 L129 K130 D131L123-S127 PolarHBondContact O-N 2.92Å; T124-S127 PolarHBondContact O-N 3.33Å; E125-S127 PolarHBondContact O-N 2.81Å; S127-L129 VanDerWaalsContact C-N 3.35Å; S127-L129 PolarHBondContact O-N 3.25Å; S127-K130 WeakPolarHBondContact O-CB 3.29Å; S127-K130 PolarHBondContact O-N 3.24Å; S127-D131 VanDerWaalsContact O-CG 3.26Å; S127-D131 PolarHBondContact O-N 2.91Å
128T91.6Very high81.4Confident84 Ų8471.2 Ų71.252%0.51539%0.39SS..Hα-helixtrans-64.3-41.4-179.6-54.60000111.2T124 E125 D131 L132T124-T128 WeakPolarHBondContact O-CB 3.27Å; T124-T128 PolarHBondContact O-N 3.36Å; T124-T128 PolarHBondContact O-OG1 3.2Å; E125-T128 PolarHBondContact O-N 3Å; T128-D131 PolarHBondContact O-N 3.22Å; T128-L132 WeakPolarHBondContact O-CB 3.3Å; T128-L132 PolarHBondContact O-N 3.09Å
129L90.8Very high78.9Confident25 Ų2578.1 Ų78.113%0.13143%0.427CS..Hα-helixtrans-68.7-35.4175.8-71.5172.5000112E125 V126 S127 F133 Q186 Y187 A190E125-L129 HydrophobicContact CG-CD1 4.08Å; E125-L129 WeakPolarHBondContact O-CB 3.26Å; E125-L129 WeakPolarHBondContact O-CG 3.15Å; E125-L129 PolarHBondContact O-N 3.03Å; V126-L129 PolarHBondContact O-N 2.89Å; S127-L129 VanDerWaalsContact C-N 3.35Å; S127-L129 PolarHBondContact O-N 3.25Å; L129-F133 WeakPolarHBondContact O-CB 3.37Å; L129-F133 PolarHBondContact O-N 3.05Å; L129-Q186 HydrophobicContact CD2-CB 4.05Å; L129-Y187 HydrophobicContact CB-CD2 3.76Å; L129-Y187 HydrophobicContact CB-CG 4.44Å; L129-A190 HydrophobicContact CD1-CB 3.47Å; L129-A190 VanDerWaalsContact CD1-CB 3.47Å
130K88.6Confident76.8Confident76 Ų7676.9 Ų76.933%0.3343%0.431SS..Hα-helixtrans-60.4-46.1171-176.4179.6179.4167.60111.2E27 V126 S127 F133 G134 Y187E27-K130 WeakPolarHBondContact OE2-CE 3.45Å; E27-K130 IonicContact OE2-NZ 2.68Å; E27-K130 PolarHBondContact OE2-NZ 2.99Å; E27-K130 VanDerWaalsContact OE2-NZ 3.09Å; V126-K130 WeakPolarHBondContact O-CB 3.49Å; V126-K130 PolarHBondContact O-N 3.47Å; S127-K130 WeakPolarHBondContact O-CB 3.29Å; S127-K130 PolarHBondContact O-N 3.24Å; K130-F133 CarbonylContact O-C 3.55Å; K130-F133 WeakPolarHBondContact O-CA 3.39Å; K130-F133 WeakPolarHBondContact O-CB 3.24Å; K130-F133 PolarHBondContact O-N 3.37Å; K130-F133 VanDerWaalsContact O-N 3.14Å; K130-G134 WeakPolarHBondContact O-CA 3.38Å; K130-G134 PolarHBondContact O-N 3.43Å; K130-Y187 HydrophobicContact CB-CE1 4.36Å; K130-Y187 HydrophobicContact CB-CE2 3.75Å; K130-Y187 WeakPolarHBondContact CB-OH 3.4Å; K130-Y187 HydrophobicContact CG-CE1 4.39Å; K130-Y187 WeakPolarHBondContact CG-OH 3.35Å
131D84.5Confident75.4Confident75 Ų7572.4 Ų72.440%0.40141%0.412SS..Hα-helixtrans-65.7-43.2-178.9-66.5-25.7000111.3S127 T128 F133 G134 L135S127-D131 VanDerWaalsContact O-CG 3.26Å; S127-D131 PolarHBondContact O-N 2.91Å; T128-D131 PolarHBondContact O-N 3.22Å; D131-F133 PolarHBondContact O-N 3.28Å; D131-G134 PolarHBondContact O-N 2.93Å; D131-L135 PolarHBondContact O-N 2.93Å; D131-L135 VanDerWaalsContact O-N 3.12Å
132L81.3Confident73.9Confident72 Ų7266.7 Ų66.738%0.37739%0.388SS..Hα-helixtrans-60.7-31.5173.7-173.264.6000112.2T128 V140 L142T128-L132 WeakPolarHBondContact O-CB 3.3Å; T128-L132 PolarHBondContact O-N 3.09Å; L132-V140 HydrophobicContact CD1-CG1 4.38Å; L132-L142 HydrophobicContact CG-CD1 4.44Å
133F75.4Confident72.5Confident8 Ų866.8 Ų66.84%0.03539%0.387CS..Hα-helixtrans-83.6-34.6178.9175.7-97000113.4L23 L129 K130 D131 F143 S184 Y187 Y188L23-F133 HydrophobicContact CD2-CD1 4.45Å; L23-F133 HydrophobicContact CD2-CE1 3.3Å; L23-F133 HydrophobicContact CD2-CE2 4.43Å; L23-F133 HydrophobicContact CD2-CZ 3.26Å; L129-F133 WeakPolarHBondContact O-CB 3.37Å; L129-F133 PolarHBondContact O-N 3.05Å; K130-F133 CarbonylContact O-C 3.55Å; K130-F133 WeakPolarHBondContact O-CA 3.39Å; K130-F133 WeakPolarHBondContact O-CB 3.24Å; K130-F133 PolarHBondContact O-N 3.37Å; K130-F133 VanDerWaalsContact O-N 3.14Å; D131-F133 PolarHBondContact O-N 3.28Å; F133-F143 HydrophobicContact CD2-CE2 4.31Å; F133-F143 AromaticContact CE2-CE2 3.95Å; F133-F143 HydrophobicContact CE2-CE2 3.95Å; F133-F143 HydrophobicContact CZ-CE2 4.29Å; F133-F143 WeakPolarHBondContact O-CD2 3.04Å; F133-S184 WeakPolarHBondContact CE2-OG 3.41Å; F133-Y187 HydrophobicContact CB-CD1 4.02Å; F133-Y187 HydrophobicContact CB-CG 4.4Å; F133-Y187 AromaticContact CD1-CD1 3.65Å; F133-Y187 HydrophobicContact CD1-CD1 3.65Å; F133-Y187 AromaticContact CD1-CE1 3.82Å; F133-Y187 HydrophobicContact CD1-CE1 3.82Å; F133-Y187 HydrophobicContact CD2-CD1 4.12Å; F133-Y187 HydrophobicContact CE1-CD1 4.01Å; F133-Y187 HydrophobicContact CE1-CE1 4.14Å; F133-Y187 HydrophobicContact CE2-CD1 4.42Å; F133-Y187 AromaticContact CG-CD1 3.68Å; F133-Y187 HydrophobicContact CG-CD1 3.68Å; F133-Y187 HydrophobicContact CG-CE1 4.28Å; F133-Y187 HydrophobicContact CG-CG 4.43Å; F133-Y187 HydrophobicContact CZ-CD1 4.33Å; F133-Y188 HydrophobicContact CE2-CE1 4.39Å; F133-Y188 HydrophobicContact CZ-CE1 4.29Å
134G63.8Low71.3Confident52 Ų5270.7 Ų70.754%0.53641%0.407SS..Hα-helixtrans-124.5-20.4-159.500000118.6K130 D131K130-G134 WeakPolarHBondContact O-CA 3.38Å; K130-G134 PolarHBondContact O-N 3.43Å; D131-G134 PolarHBondContact O-N 2.93Å
135L52.2Low70.3Confident107 Ų10770.4 Ų70.456%0.5640%0.401SS*.  trans-110.4147.1-168.7-91.3169.5000117.1D131 S137D131-L135 PolarHBondContact O-N 2.93Å; D131-L135 VanDerWaalsContact O-N 3.12Å; L135-S137 PolarHBondContact O-N 3.21Å
136A43.7Very low69.7Low81 Ų8167.6 Ų67.667%0.66939%0.388SS*.  trans-84.260.7-176.900000112.8
137S37.4Very low69.3Low90 Ų9071.3 Ų71.363%0.62941%0.407SS*.  trans-82134.4162.4-89.50000109.2L135 D139 V140L135-S137 PolarHBondContact O-N 3.21Å; S137-D139 PolarHBondContact O-N 3.46Å; S137-V140 PolarHBondContact O-N 2.91Å
138H42.5Very low69Low197 Ų19773.5 Ų73.591%0.91241%0.414SS*.THydrogen-bonded Turntrans-53-13-166.4-80.9103.2000116.6
139D45.3Very low68.8Low150 Ų15069.8 Ų69.880%0.80239%0.391SS*.THydrogen-bonded Turntrans-119.7-9.6-173.4-69.4-48.2000116S137S137-D139 PolarHBondContact O-N 3.46Å
140V51.9Low68.8Low78 Ų7871.2 Ų71.247%0.47340%0.398SS..  trans-150.891.1178.3-170.60000110.5L132 S137 L142L132-V140 HydrophobicContact CD1-CG1 4.38Å; S137-V140 PolarHBondContact O-N 2.91Å; V140-L142 HydrophobicContact CG1-CD2 4.43Å
141C67.1Low68.9Low24 Ų2469.4 Ų69.416%0.16240%0.397CS..  trans-121.9102.5171.3-164.10000110.1L144 E145C141-L144 HydrophobicContact CB-CB 3.72Å; C141-L144 WeakPolarHBondContact SG-CB 3.46Å; C141-E145 WeakPolarHBondContact O-CA 3.44Å; C141-E145 WeakPolarHBondContact O-CB 3.13Å; C141-E145 WeakPolarHBondContact O-CG 3.5Å; C141-E145 PolarHBondContact O-N 2.92Å
142L63.9Low69.3Low12 Ų1270.6 Ų70.66%0.06340%0.399CS..Hα-helixtrans-69.3-36.6-175.1-60.9-178.3000112.7L132 V140 H146 K179 S183L132-L142 HydrophobicContact CG-CD1 4.44Å; V140-L142 HydrophobicContact CG1-CD2 4.43Å; L142-H146 VanDerWaalsContact O-CB 3.32Å; L142-H146 WeakPolarHBondContact O-CB 3.14Å; L142-H146 PolarHBondContact O-N 3.17Å; L142-K179 HydrophobicContact CD1-CB 4.26Å; L142-K179 HydrophobicContact CD2-CB 3.51Å; L142-K179 HydrophobicContact CD2-CD 3.49Å; L142-K179 VanDerWaalsContact CD2-CD 3.49Å; L142-K179 HydrophobicContact CD2-CG 4.16Å; L142-K179 HydrophobicContact CG-CB 4.4Å; L142-S183 VanDerWaalsContact CD1-CB 3.47Å
143F67.3Low69.8Low34 Ų3472 Ų7215%0.14940%0.399CS..Hα-helixtrans-70.4-50.6175.2-102.9-83.1000112.2D15 F133 E145 H146 D147 Q180D15-F143 WeakPolarHBondContact OD2-CE1 3.21Å; D15-F143 WeakPolarHBondContact OD2-CZ 3.46Å; F133-F143 HydrophobicContact CD2-CE2 4.31Å; F133-F143 AromaticContact CE2-CE2 3.95Å; F133-F143 HydrophobicContact CE2-CE2 3.95Å; F133-F143 HydrophobicContact CZ-CE2 4.29Å; F133-F143 WeakPolarHBondContact O-CD2 3.04Å; F143-E145 VanDerWaalsContact C-N 3.34Å; F143-E145 PolarHBondContact O-N 2.97Å; F143-H146 PolarHBondContact O-N 2.97Å; F143-D147 WeakPolarHBondContact O-CB 3.38Å; F143-D147 VanDerWaalsContact O-CG 3.31Å; F143-D147 PolarHBondContact O-N 3.49Å; F143-Q180 HydrophobicContact CD2-CG 4.17Å; F143-Q180 HydrophobicContact CE1-CG 4.42Å; F143-Q180 HydrophobicContact CE2-CG 3.61Å; F143-Q180 HydrophobicContact CZ-CG 3.7Å
144L70.2Confident70.6Confident96 Ų9675.9 Ų75.950%0.50343%0.428SS..Hα-helixtrans-66.5-37.3178.2-15288000110.9C141 D147 L148C141-L144 HydrophobicContact CB-CB 3.72Å; C141-L144 WeakPolarHBondContact SG-CB 3.46Å; L144-D147 PolarHBondContact O-N 3.2Å; L144-L148 HydrophobicContact CD2-CD1 3.85Å; L144-L148 HydrophobicContact CG-CD1 3.89Å; L144-L148 HydrophobicContact CG-CG 4.18Å; L144-L148 WeakPolarHBondContact O-CA 3.47Å; L144-L148 WeakPolarHBondContact O-CB 3.48Å; L144-L148 WeakPolarHBondContact O-CD1 3.3Å; L144-L148 WeakPolarHBondContact O-CG 3.44Å; L144-L148 PolarHBondContact O-N 3.44Å
145E75Confident71.9Confident66 Ų6683.5 Ų83.531%0.30844%0.44SS..Hα-helixtrans-60.3-45.1171.8-82.8-177.4-172.800110.9C141 F143 S149 A176 K179C141-E145 WeakPolarHBondContact O-CA 3.44Å; C141-E145 WeakPolarHBondContact O-CB 3.13Å; C141-E145 WeakPolarHBondContact O-CG 3.5Å; C141-E145 PolarHBondContact O-N 2.92Å; F143-E145 VanDerWaalsContact C-N 3.34Å; F143-E145 PolarHBondContact O-N 2.97Å; E145-S149 WeakPolarHBondContact O-CB 3.44Å; E145-S149 PolarHBondContact O-N 3.42Å; E145-S149 PolarHBondContact O-OG 3.48Å; E145-A176 HydrophobicContact CB-CB 4.38Å; E145-K179 IonicContact OE1-NZ 2.69Å; E145-K179 IonicContact OE2-NZ 3.61Å; E145-K179 PolarHBondContact OE2-NZ 2.94Å
146H83.6Confident73.7Confident22 Ų2280.9 Ų80.910%0.10243%0.427CS..Hα-helixtrans-64.7-47.2176.1178.2-100.4000111.4L142 F143 S149 M150 A176 R177 Q180L142-H146 VanDerWaalsContact O-CB 3.32Å; L142-H146 WeakPolarHBondContact O-CB 3.14Å; L142-H146 PolarHBondContact O-N 3.17Å; F143-H146 PolarHBondContact O-N 2.97Å; H146-S149 WeakPolarHBondContact CA-OG 3.46Å; H146-S149 PolarHBondContact O-N 3Å; H146-S149 PolarHBondContact O-OG 3.36Å; H146-M150 WeakPolarHBondContact O-CB 3.47Å; H146-M150 WeakPolarHBondContact O-CG 3.3Å; H146-M150 PolarHBondContact O-N 3.17Å; H146-A176 HydrophobicContact CB-CB 4.22Å; H146-R177 PolarHBondContact NE2-NE 2.63Å; H146-Q180 PolarHBondContact CD2-OE1 3.08Å; H146-Q180 PolarHBondContact ND1-OE1 3.06Å; H146-Q180 VanDerWaalsContact ND1-OE1 3.13Å
147D85.3Confident75.8Confident88 Ų8881 Ų8147%0.47142%0.42SS..Hα-helixtrans-66.9-39.5-179.1-70.6-14.9000112.2F143 L144 A151F143-D147 WeakPolarHBondContact O-CB 3.38Å; F143-D147 VanDerWaalsContact O-CG 3.31Å; F143-D147 PolarHBondContact O-N 3.49Å; L144-D147 PolarHBondContact O-N 3.2Å; D147-A151 VanDerWaalsContact O-CB 3.25Å; D147-A151 WeakPolarHBondContact O-CB 3.45Å; D147-A151 PolarHBondContact O-N 2.94Å
148L87.6Confident78.1Confident107 Ų10786.3 Ų86.356%0.5643%0.433SS*.Hα-helixtrans-68.1-44.7174.8-71.4170.1000111.5L144 M150 A151 K152L144-L148 HydrophobicContact CD2-CD1 3.85Å; L144-L148 HydrophobicContact CG-CD1 3.89Å; L144-L148 HydrophobicContact CG-CG 4.18Å; L144-L148 WeakPolarHBondContact O-CA 3.47Å; L144-L148 WeakPolarHBondContact O-CB 3.48Å; L144-L148 WeakPolarHBondContact O-CD1 3.3Å; L144-L148 WeakPolarHBondContact O-CG 3.44Å; L144-L148 PolarHBondContact O-N 3.44Å; L148-M150 VanDerWaalsContact C-N 3.34Å; L148-A151 PolarHBondContact O-N 2.97Å; L148-K152 VanDerWaalsContact O-CB 3.31Å; L148-K152 WeakPolarHBondContact O-CB 3.24Å; L148-K152 PolarHBondContact O-N 3.04Å
149S87.6Confident80Confident6 Ų686.9 Ų86.94%0.04243%0.432CS..Hα-helixtrans-65.4-39.4176.762.40000111.2E145 H146 K152 Y153 V173E145-S149 WeakPolarHBondContact O-CB 3.44Å; E145-S149 PolarHBondContact O-N 3.42Å; E145-S149 PolarHBondContact O-OG 3.48Å; H146-S149 WeakPolarHBondContact CA-OG 3.46Å; H146-S149 PolarHBondContact O-N 3Å; H146-S149 PolarHBondContact O-OG 3.36Å; S149-K152 PolarHBondContact O-N 3.31Å; S149-Y153 WeakPolarHBondContact O-CB 3.29Å; S149-Y153 PolarHBondContact O-N 3.38Å; S149-V173 VanDerWaalsContact O-CG2 3.3Å; S149-V173 WeakPolarHBondContact O-CG2 3.29Å
150M90.3Very high81.7Confident54 Ų5488.4 Ų88.427%0.26643%0.432SS..Hα-helixtrans-63-45.3172.1-77.7-62.1-58.200111.5H146 L148 K152 Y153 S154 V173 R177H146-M150 WeakPolarHBondContact O-CB 3.47Å; H146-M150 WeakPolarHBondContact O-CG 3.3Å; H146-M150 PolarHBondContact O-N 3.17Å; L148-M150 VanDerWaalsContact C-N 3.34Å; M150-K152 VanDerWaalsContact C-N 3.35Å; M150-K152 PolarHBondContact O-N 3.36Å; M150-Y153 PolarHBondContact O-N 2.97Å; M150-S154 WeakPolarHBondContact O-CB 3.5Å; M150-S154 PolarHBondContact O-N 3Å; M150-S154 PolarHBondContact O-OG 3.34Å; M150-S154 VanDerWaalsContact O-OG 3.06Å; M150-V173 HydrophobicContact CG-CG1 4.37Å; M150-V173 HydrophobicContact SD-CG1 3.45Å; M150-V173 WeakPolarHBondContact SD-CG1 3.46Å; M150-V173 HydrophobicContact SD-CG2 4.28Å; M150-R177 PolarHBondContact SD-NH2 3.2Å
151A91.9Very high82.9Confident38 Ų3890.4 Ų90.431%0.31444%0.436SS..Hα-helixtrans-62.7-40.3176.300000112.2D147 L148 S154 R155D147-A151 VanDerWaalsContact O-CB 3.25Å; D147-A151 WeakPolarHBondContact O-CB 3.45Å; D147-A151 PolarHBondContact O-N 2.94Å; L148-A151 PolarHBondContact O-N 2.97Å; A151-S154 PolarHBondContact O-N 3.35Å; A151-R155 VanDerWaalsContact O-CG 3.25Å; A151-R155 WeakPolarHBondContact O-CG 3.47Å; A151-R155 PolarHBondContact O-N 3.19Å
152K91.5Very high83.8Confident101 Ų10193.6 Ų93.644%0.43945%0.451SS..Hα-helixtrans-63.3-44.5174.8-173.4-177.2-180-169.90111.1L148 S149 M150 R155 V169 E172L148-K152 VanDerWaalsContact O-CB 3.31Å; L148-K152 WeakPolarHBondContact O-CB 3.24Å; L148-K152 PolarHBondContact O-N 3.04Å; S149-K152 PolarHBondContact O-N 3.31Å; M150-K152 VanDerWaalsContact C-N 3.35Å; M150-K152 PolarHBondContact O-N 3.36Å; K152-R155 PolarHBondContact O-N 2.89Å; K152-V169 HydrophobicContact CB-CG1 4.44Å; K152-V169 HydrophobicContact CD-CG1 4.32Å; K152-V169 HydrophobicContact CD-CG2 4.38Å; K152-V169 HydrophobicContact CG-CG1 4.11Å; K152-V169 HydrophobicContact CG-CG2 4.47Å; K152-E172 IonicContact NZ-OE1 3.72Å; K152-E172 PolarHBondContact NZ-OE1 3.4Å; K152-E172 IonicContact NZ-OE2 3.93Å; K152-E172 PolarHBondContact NZ-OE2 3.06Å
153Y91.9Very high85Confident100 Ų10097.9 Ų97.939%0.39247%0.471SS..Hα-helixtrans-62.3-44.9175.5-177.2-95.3000112.2S149 M150 R155 L156 V169 V173S149-Y153 WeakPolarHBondContact O-CB 3.29Å; S149-Y153 PolarHBondContact O-N 3.38Å; M150-Y153 PolarHBondContact O-N 2.97Å; Y153-R155 PolarHBondContact O-N 3.43Å; Y153-L156 HydrophobicContact CD2-CD1 3.89Å; Y153-L156 HydrophobicContact CE2-CD1 4.16Å; Y153-L156 HydrophobicContact CG-CD1 4.47Å; Y153-L156 WeakPolarHBondContact O-CB 3.33Å; Y153-L156 VanDerWaalsContact O-CG 3.28Å; Y153-L156 WeakPolarHBondContact O-CG 3.25Å; Y153-L156 PolarHBondContact O-N 3.22Å; Y153-V169 HydrophobicContact CD2-CG1 4.1Å; Y153-V169 HydrophobicContact CG-CG1 4.48Å; Y153-V173 HydrophobicContact CD2-CG2 4.46Å; Y153-V173 HydrophobicContact CG-CG2 4.23Å
154S91.8Very high86.1Confident91 Ų91104.3 Ų104.364%0.63650%0.499SS*.Hα-helixtrans-63.5-23.8178.2-65.40000113.8M150 A151 L156M150-S154 WeakPolarHBondContact O-CB 3.5Å; M150-S154 PolarHBondContact O-N 3Å; M150-S154 PolarHBondContact O-OG 3.34Å; M150-S154 VanDerWaalsContact O-OG 3.06Å; A151-S154 PolarHBondContact O-N 3.35Å; S154-L156 VanDerWaalsContact C-N 3.34Å
155R91.6Very high87Confident211 Ų211102.6 Ų102.680%0.79649%0.492SS*.THydrogen-bonded Turntrans-86.82.4179.1-70.9172.3-174-173.53.8113.9A151 K152 Y153A151-R155 VanDerWaalsContact O-CG 3.25Å; A151-R155 WeakPolarHBondContact O-CG 3.47Å; A151-R155 PolarHBondContact O-N 3.19Å; K152-R155 PolarHBondContact O-N 2.89Å; Y153-R155 PolarHBondContact O-N 3.43Å
156L91.1Very high87.7Confident53 Ų53102.6 Ų102.628%0.27749%0.491SS..SBendtrans-61.1135.5178.9-72.7172.7000111.7Y153 S154 K158 V165 K166Y153-L156 HydrophobicContact CD2-CD1 3.89Å; Y153-L156 HydrophobicContact CE2-CD1 4.16Å; Y153-L156 HydrophobicContact CG-CD1 4.47Å; Y153-L156 WeakPolarHBondContact O-CB 3.33Å; Y153-L156 VanDerWaalsContact O-CG 3.28Å; Y153-L156 WeakPolarHBondContact O-CG 3.25Å; Y153-L156 PolarHBondContact O-N 3.22Å; S154-L156 VanDerWaalsContact C-N 3.34Å; L156-K158 PolarHBondContact O-N 3.19Å; L156-V165 HydrophobicContact CD2-CG1 4.02Å; L156-K166 HydrophobicContact CD1-CB 4.43Å; L156-K166 HydrophobicContact CD1-CG 4.38Å
157P86.2Confident88Confident82 Ų82105 Ų10553%0.53251%0.508SS..  trans-72.3117.9-173.627-33.7000112.5K159P157-K159 PolarHBondContact O-N 3Å
158K86.6Confident88.4Confident203 Ų203107.1 Ų107.188%0.88352%0.515SS*.THydrogen-bonded Turntrans-67.5-27.1-179.2-170174.8-179.3177.30115.1L156L156-K158 PolarHBondContact O-N 3.19Å
159K83.1Confident88.6Confident208 Ų208102.3 Ų102.390%0.90449%0.49SS*.THydrogen-bonded Turntrans-91.1-18.8-173.5-66.3-175.9-179.6179.40114.4P157P157-K159 PolarHBondContact O-N 3Å
160K80.4Confident88.8Confident183 Ų183103.2 Ų103.280%0.79650%0.5SS*.SBendtrans-13985.1179.4-75.6-172.8177.8-178.20108.2N162K160-N162 PolarHBondContact O-N 3.4Å
161E76.1Confident89Confident120 Ų120108.3 Ų108.356%0.56152%0.521SS*.  trans-82.6116.6-173.9-149.9167.1-161.400110.1K166E161-K166 HydrophobicContact CG-CD 4.09Å; E161-K166 WeakPolarHBondContact OE1-CD 3.39Å; E161-K166 WeakPolarHBondContact OE1-CE 3.36Å; E161-K166 IonicContact OE1-NZ 3.3Å; E161-K166 PolarHBondContact OE1-NZ 3.43Å; E161-K166 IonicContact OE2-NZ 3.7Å
162N87.9Confident89Confident90 Ų90110.4 Ų110.448%0.48152%0.524SS..  trans-97105.7172.3-178.8-21.1000108.7K160 K164 V165 K166K160-N162 PolarHBondContact O-N 3.4Å; N162-K164 VanDerWaalsContact C-N 3.27Å; N162-K164 PolarHBondContact O-N 3.3Å; N162-K164 PolarHBondContact OD1-N 3.18Å; N162-K164 VanDerWaalsContact OD1-N 3.1Å; N162-V165 HydrophobicContact CB-CB 4.17Å; N162-V165 HydrophobicContact CB-CG2 4.2Å; N162-V165 WeakPolarHBondContact ND2-CG2 3.25Å; N162-V165 PolarHBondContact O-N 3.36Å; N162-V165 PolarHBondContact OD1-N 2.97Å; N162-K166 WeakPolarHBondContact O-CB 3.38Å; N162-K166 PolarHBondContact O-N 2.96Å
163E88.9Confident89Confident103 Ų103106.2 Ų106.248%0.48151%0.507SS..Hα-helixtrans-59.7-33.2-175.9-76.8-58.2141.800113.7K166 T167E163-K166 IonicContact OE1-NZ 2.8Å; E163-T167 WeakPolarHBondContact O-CB 3.26Å; E163-T167 WeakPolarHBondContact O-CG2 3.42Å; E163-T167 PolarHBondContact O-N 3.38Å; E163-T167 PolarHBondContact O-OG1 2.97Å
164K89.3Confident89Confident169 Ų169104 Ų10474%0.73551%0.509SS*.Hα-helixtrans-66.9-47176.1-72.6-172.8176.8-176.30111.5N162 T167 E168N162-K164 VanDerWaalsContact C-N 3.27Å; N162-K164 PolarHBondContact O-N 3.3Å; N162-K164 PolarHBondContact OD1-N 3.18Å; N162-K164 VanDerWaalsContact OD1-N 3.1Å; K164-T167 PolarHBondContact O-N 2.97Å; K164-T167 PolarHBondContact O-OG1 2.86Å; K164-E168 WeakPolarHBondContact O-CB 3.5Å; K164-E168 PolarHBondContact O-N 2.84Å
165V89.6Confident88.9Confident60 Ų60102 Ų10236%0.36450%0.498SS..Hα-helixtrans-67.9-40.3-180176.10000111L156 N162 E168 V169L156-V165 HydrophobicContact CD2-CG1 4.02Å; N162-V165 HydrophobicContact CB-CB 4.17Å; N162-V165 HydrophobicContact CB-CG2 4.2Å; N162-V165 WeakPolarHBondContact ND2-CG2 3.25Å; N162-V165 PolarHBondContact O-N 3.36Å; N162-V165 PolarHBondContact OD1-N 2.97Å; V165-E168 PolarHBondContact O-N 3.36Å; V165-V169 HydrophobicContact CG1-CG2 4.27Å; V165-V169 VanDerWaalsContact O-CG2 3.3Å; V165-V169 WeakPolarHBondContact O-CG2 3.47Å; V165-V169 PolarHBondContact O-N 3.49Å
166K89.5Confident88.7Confident65 Ų6592.2 Ų92.228%0.28346%0.462SS..Hα-helixtrans-61-46.5176.2178.3-178.8173.7-177.70111.9L156 E161 N162 E163 G170L156-K166 HydrophobicContact CD1-CB 4.43Å; L156-K166 HydrophobicContact CD1-CG 4.38Å; E161-K166 HydrophobicContact CG-CD 4.09Å; E161-K166 WeakPolarHBondContact OE1-CD 3.39Å; E161-K166 WeakPolarHBondContact OE1-CE 3.36Å; E161-K166 IonicContact OE1-NZ 3.3Å; E161-K166 PolarHBondContact OE1-NZ 3.43Å; E161-K166 IonicContact OE2-NZ 3.7Å; N162-K166 WeakPolarHBondContact O-CB 3.38Å; N162-K166 PolarHBondContact O-N 2.96Å; E163-K166 IonicContact OE1-NZ 2.8Å; K166-G170 PolarHBondContact O-N 3.43Å
167T90.9Very high88.6Confident74 Ų7494.8 Ų94.845%0.45447%0.469SS..Hα-helixtrans-68.9-35.9178.949.10000112.4E163 K164 K171E163-T167 WeakPolarHBondContact O-CB 3.26Å; E163-T167 WeakPolarHBondContact O-CG2 3.42Å; E163-T167 PolarHBondContact O-N 3.38Å; E163-T167 PolarHBondContact O-OG1 2.97Å; K164-T167 PolarHBondContact O-N 2.97Å; K164-T167 PolarHBondContact O-OG1 2.86Å; T167-K171 WeakPolarHBondContact O-CG 3.45Å; T167-K171 PolarHBondContact O-N 3.02Å
168E92.1Very high88.8Confident131 Ų131100 Ų10061%0.61248%0.478SS*.Hα-helixtrans-65.4-51.7175.7-171.6178.317700112.1K164 V165 G170 K171 E172K164-E168 WeakPolarHBondContact O-CB 3.5Å; K164-E168 PolarHBondContact O-N 2.84Å; V165-E168 PolarHBondContact O-N 3.36Å; E168-G170 VanDerWaalsContact C-N 3.29Å; E168-G170 PolarHBondContact O-N 3.43Å; E168-K171 WeakPolarHBondContact O-CB 3.34Å; E168-K171 PolarHBondContact O-N 2.91Å; E168-K171 VanDerWaalsContact O-N 3.14Å; E168-E172 PolarHBondContact O-N 3.37Å
169V92.2Very high88.8Confident7 Ų795 Ų954%0.04246%0.456CS..Hα-helixtrans-65.2-34.8177.5-179.80000111.2K152 Y153 V165 K171 E172 V173K152-V169 HydrophobicContact CB-CG1 4.44Å; K152-V169 HydrophobicContact CD-CG1 4.32Å; K152-V169 HydrophobicContact CD-CG2 4.38Å; K152-V169 HydrophobicContact CG-CG1 4.11Å; K152-V169 HydrophobicContact CG-CG2 4.47Å; Y153-V169 HydrophobicContact CD2-CG1 4.1Å; Y153-V169 HydrophobicContact CG-CG1 4.48Å; V165-V169 HydrophobicContact CG1-CG2 4.27Å; V165-V169 VanDerWaalsContact O-CG2 3.3Å; V165-V169 WeakPolarHBondContact O-CG2 3.47Å; V165-V169 PolarHBondContact O-N 3.49Å; V169-K171 PolarHBondContact O-N 3.15Å; V169-E172 WeakPolarHBondContact O-CB 3.43Å; V169-E172 PolarHBondContact O-N 3.05Å; V169-V173 WeakPolarHBondContact O-CG2 3.18Å; V169-V173 PolarHBondContact O-N 3.44Å
170G93.1Very high89Confident25 Ų2585.6 Ų85.626%0.25842%0.415SS..Hα-helixtrans-63-38.317300000113.4K166 E168 A174K166-G170 PolarHBondContact O-N 3.43Å; E168-G170 VanDerWaalsContact C-N 3.29Å; E168-G170 PolarHBondContact O-N 3.43Å; G170-A174 WeakPolarHBondContact O-CB 3.46Å; G170-A174 PolarHBondContact O-N 2.94Å
171K94.3Very high89.4Confident160 Ų16079.5 Ų79.570%0.69639%0.389SS*.Hα-helixtrans-67.3-39173.3-75.9175-179.3-179.50112T167 E168 V169 A174 A175T167-K171 WeakPolarHBondContact O-CG 3.45Å; T167-K171 PolarHBondContact O-N 3.02Å; E168-K171 WeakPolarHBondContact O-CB 3.34Å; E168-K171 PolarHBondContact O-N 2.91Å; E168-K171 VanDerWaalsContact O-N 3.14Å; V169-K171 PolarHBondContact O-N 3.15Å; K171-A174 PolarHBondContact O-N 3.49Å; K171-A175 WeakPolarHBondContact O-CB 3.46Å; K171-A175 PolarHBondContact O-N 3.08Å
172E90.6Very high90.1Very high83 Ų8378.4 Ų78.439%0.38839%0.387SS..Hα-helixtrans-60.4-48.4176.6-165.7178.9-166.300111.2K152 E168 V169 A174 A175 A176K152-E172 IonicContact NZ-OE1 3.72Å; K152-E172 PolarHBondContact NZ-OE1 3.4Å; K152-E172 IonicContact NZ-OE2 3.93Å; K152-E172 PolarHBondContact NZ-OE2 3.06Å; E168-E172 PolarHBondContact O-N 3.37Å; V169-E172 WeakPolarHBondContact O-CB 3.43Å; V169-E172 PolarHBondContact O-N 3.05Å; E172-A174 PolarHBondContact O-N 2.94Å; E172-A175 PolarHBondContact O-N 3.33Å; E172-A176 WeakPolarHBondContact O-CB 3.45Å; E172-A176 PolarHBondContact O-N 3.35Å
173V91.6Very high90.2Very high12 Ų1274.3 Ų74.37%0.07337%0.365CS..Hα-helixtrans-59.6-46.5173.9170.20000111.8S149 M150 Y153 V169 A175 A176 R177S149-V173 VanDerWaalsContact O-CG2 3.3Å; S149-V173 WeakPolarHBondContact O-CG2 3.29Å; M150-V173 HydrophobicContact CG-CG1 4.37Å; M150-V173 HydrophobicContact SD-CG1 3.45Å; M150-V173 WeakPolarHBondContact SD-CG1 3.46Å; M150-V173 HydrophobicContact SD-CG2 4.28Å; Y153-V173 HydrophobicContact CD2-CG2 4.46Å; Y153-V173 HydrophobicContact CG-CG2 4.23Å; V169-V173 WeakPolarHBondContact O-CG2 3.18Å; V169-V173 PolarHBondContact O-N 3.44Å; V173-A175 VanDerWaalsContact C-N 3.29Å; V173-A175 PolarHBondContact O-N 2.96Å; V173-A176 PolarHBondContact O-N 3.31Å; V173-R177 WeakPolarHBondContact O-CB 3.32Å; V173-R177 PolarHBondContact O-N 3.33Å
174A91.9Very high90.2Very high54 Ų5469.4 Ų69.445%0.44634%0.342SS..Hα-helixtrans-62.6-37.9-179.400000112G170 K171 E172 R178G170-A174 WeakPolarHBondContact O-CB 3.46Å; G170-A174 PolarHBondContact O-N 2.94Å; K171-A174 PolarHBondContact O-N 3.49Å; E172-A174 PolarHBondContact O-N 2.94Å; A174-R178 WeakPolarHBondContact O-CB 3.42Å; A174-R178 PolarHBondContact O-N 3.43Å; A174-R178 VanDerWaalsContact O-N 3.11Å
175A89.8Confident90.4Very high49 Ų4963.7 Ų63.741%0.40532%0.32SS..Hα-helixtrans-66.8-49.2175.100000111.4K171 E172 V173 R177 R178 K179K171-A175 WeakPolarHBondContact O-CB 3.46Å; K171-A175 PolarHBondContact O-N 3.08Å; E172-A175 PolarHBondContact O-N 3.33Å; V173-A175 VanDerWaalsContact C-N 3.29Å; V173-A175 PolarHBondContact O-N 2.96Å; A175-R177 PolarHBondContact O-N 3.04Å; A175-R178 PolarHBondContact O-N 2.89Å; A175-K179 WeakPolarHBondContact O-CG 3.37Å; A175-K179 PolarHBondContact O-N 3.5Å
176A87.8Confident90.6Very high5 Ų565.2 Ų65.24%0.04132%0.323CS..Hα-helixtrans-59.9-46.5178.700000111.8E145 H146 E172 V173 R178 K179 Q180E145-A176 HydrophobicContact CB-CB 4.38Å; H146-A176 HydrophobicContact CB-CB 4.22Å; E172-A176 WeakPolarHBondContact O-CB 3.45Å; E172-A176 PolarHBondContact O-N 3.35Å; V173-A176 PolarHBondContact O-N 3.31Å; A176-R178 VanDerWaalsContact C-N 3.32Å; A176-R178 PolarHBondContact O-N 2.79Å; A176-K179 PolarHBondContact O-N 2.86Å; A176-Q180 PolarHBondContact O-N 3.46Å
177R88.8Confident90.9Very high108 Ų10862.2 Ų62.241%0.40831%0.309SS..Hα-helixtrans-60.8-39.4176.8-171.9175.3-63.7176.72.5112.6L13 H146 M150 V173 A175 H181L13-R177 HydrophobicContact CD1-CG 4.08Å; H146-R177 PolarHBondContact NE2-NE 2.63Å; M150-R177 PolarHBondContact SD-NH2 3.2Å; V173-R177 WeakPolarHBondContact O-CB 3.32Å; V173-R177 PolarHBondContact O-N 3.33Å; A175-R177 PolarHBondContact O-N 3.04Å; R177-H181 VanDerWaalsContact O-CB 3.3Å; R177-H181 WeakPolarHBondContact O-CB 3.34Å; R177-H181 PolarHBondContact O-N 3.41Å
178R89.4Confident91Very high192 Ų19258.7 Ų58.773%0.72529%0.288SS*.Hα-helixtrans-65-43.9177.4-175.1-179.2-63.3168.60.5111.3A174 A175 A176 L182A174-R178 WeakPolarHBondContact O-CB 3.42Å; A174-R178 PolarHBondContact O-N 3.43Å; A174-R178 VanDerWaalsContact O-N 3.11Å; A175-R178 PolarHBondContact O-N 2.89Å; A176-R178 VanDerWaalsContact C-N 3.32Å; A176-R178 PolarHBondContact O-N 2.79Å; R178-L182 WeakPolarHBondContact O-CB 3.41Å; R178-L182 PolarHBondContact O-N 2.98Å
179K87.4Confident91.2Very high97 Ų9755.3 Ų55.342%0.42228%0.278SS..Hα-helixtrans-62.9-48177.2-65.7-178.4-171.7173.50111.2L142 E145 A175 A176 H181 L182 S183L142-K179 HydrophobicContact CD1-CB 4.26Å; L142-K179 HydrophobicContact CD2-CB 3.51Å; L142-K179 HydrophobicContact CD2-CD 3.49Å; L142-K179 VanDerWaalsContact CD2-CD 3.49Å; L142-K179 HydrophobicContact CD2-CG 4.16Å; L142-K179 HydrophobicContact CG-CB 4.4Å; E145-K179 IonicContact OE1-NZ 2.69Å; E145-K179 IonicContact OE2-NZ 3.61Å; E145-K179 PolarHBondContact OE2-NZ 2.94Å; A175-K179 WeakPolarHBondContact O-CG 3.37Å; A175-K179 PolarHBondContact O-N 3.5Å; A176-K179 PolarHBondContact O-N 2.86Å; K179-H181 PolarHBondContact O-N 3.42Å; K179-L182 PolarHBondContact O-N 2.98Å; K179-S183 WeakPolarHBondContact O-CB 3.45Å; K179-S183 PolarHBondContact O-N 3.42Å
180Q86.7Confident91.4Very high11 Ų1155.5 Ų55.55%0.05128%0.28CS..Hα-helixtrans-55.7-52.2175.9-179.5-167.2-7.800110.9D15 F143 H146 A176 L182 S183 S184D15-Q180 PolarHBondContact OD2-NE2 2.84Å; F143-Q180 HydrophobicContact CD2-CG 4.17Å; F143-Q180 HydrophobicContact CE1-CG 4.42Å; F143-Q180 HydrophobicContact CE2-CG 3.61Å; F143-Q180 HydrophobicContact CZ-CG 3.7Å; H146-Q180 PolarHBondContact CD2-OE1 3.08Å; H146-Q180 PolarHBondContact ND1-OE1 3.06Å; H146-Q180 VanDerWaalsContact ND1-OE1 3.13Å; A176-Q180 PolarHBondContact O-N 3.46Å; Q180-L182 VanDerWaalsContact C-N 3.35Å; Q180-L182 PolarHBondContact O-N 3.45Å; Q180-S183 PolarHBondContact O-N 2.71Å; Q180-S184 PolarHBondContact O-N 3.29Å; Q180-S184 PolarHBondContact O-OG 2.94Å
181H89.6Confident91.5Very high54 Ų5454.3 Ų54.325%0.2527%0.268CS..Hα-helixtrans-60-42.9-179.8-175.6-158.5000112.4L13 R177 K179 S184 L185L13-H181 HydrophobicContact CD1-CB 4.05Å; R177-H181 VanDerWaalsContact O-CB 3.3Å; R177-H181 WeakPolarHBondContact O-CB 3.34Å; R177-H181 PolarHBondContact O-N 3.41Å; K179-H181 PolarHBondContact O-N 3.42Å; H181-S184 PolarHBondContact O-N 3.12Å; H181-L185 WeakPolarHBondContact O-CB 3.48Å; H181-L185 VanDerWaalsContact O-CG 3.27Å; H181-L185 WeakPolarHBondContact O-CG 3.45Å; H181-L185 PolarHBondContact O-N 3.49Å
182L90.6Very high91.5Very high98 Ų9847.4 Ų47.451%0.51324%0.239SC..Hα-helixtrans-61.5-46.7176.5177.662.2000111.8R178 K179 Q180 L185 Q186R178-L182 WeakPolarHBondContact O-CB 3.41Å; R178-L182 PolarHBondContact O-N 2.98Å; K179-L182 PolarHBondContact O-N 2.98Å; Q180-L182 VanDerWaalsContact C-N 3.35Å; Q180-L182 PolarHBondContact O-N 3.45Å; L182-L185 PolarHBondContact O-N 3.26Å; L182-Q186 HydrophobicContact CD1-CG 4.44Å; L182-Q186 WeakPolarHBondContact O-CG 3.43Å; L182-Q186 PolarHBondContact O-N 3.01Å
183S89.3Confident91.8Very high3 Ų345 Ų452%0.02123%0.233CC..Hα-helixtrans-63.8-43.3178.3175.10000111.7L142 K179 Q180 L185 Q186 Y187L142-S183 VanDerWaalsContact CD1-CB 3.47Å; K179-S183 WeakPolarHBondContact O-CB 3.45Å; K179-S183 PolarHBondContact O-N 3.42Å; Q180-S183 PolarHBondContact O-N 2.71Å; S183-L185 VanDerWaalsContact C-N 3.35Å; S183-L185 PolarHBondContact O-N 3.47Å; S183-Q186 PolarHBondContact O-N 2.94Å; S183-Y187 WeakPolarHBondContact O-CB 3.45Å; S183-Y187 PolarHBondContact O-N 2.89Å
184S90.5Very high92Very high0 Ų044.5 Ų44.50%023%0.23CC..Hα-helixtrans-56.9-46.6173.3-56.10000111.8F133 Q180 H181 Y187 Y188F133-S184 WeakPolarHBondContact CE2-OG 3.41Å; Q180-S184 PolarHBondContact O-N 3.29Å; Q180-S184 PolarHBondContact O-OG 2.94Å; H181-S184 PolarHBondContact O-N 3.12Å; S184-Y187 PolarHBondContact O-N 3.41Å; S184-Y188 WeakPolarHBondContact O-CB 3.22Å; S184-Y188 WeakPolarHBondContact O-CD1 3.38Å; S184-Y188 VanDerWaalsContact O-CG 3.29Å; S184-Y188 PolarHBondContact O-N 3.11Å
185L93.4Very high92Very high50 Ų5042.8 Ų42.826%0.26221%0.213SC..Hα-helixtrans-63.1-45179.5-73.7172000111.9L9 A12 H181 L182 S183 Y187 C189L9-L185 HydrophobicContact CB-CD2 3.88Å; L9-L185 HydrophobicContact CD2-CD2 4.16Å; A12-L185 HydrophobicContact CB-CD2 3.88Å; A12-L185 HydrophobicContact CB-CG 4.31Å; H181-L185 WeakPolarHBondContact O-CB 3.48Å; H181-L185 VanDerWaalsContact O-CG 3.27Å; H181-L185 WeakPolarHBondContact O-CG 3.45Å; H181-L185 PolarHBondContact O-N 3.49Å; L182-L185 PolarHBondContact O-N 3.26Å; S183-L185 VanDerWaalsContact C-N 3.35Å; S183-L185 PolarHBondContact O-N 3.47Å; L185-Y187 VanDerWaalsContact C-N 3.32Å; L185-Y187 PolarHBondContact O-N 3.01Å; L185-C189 VanDerWaalsContact O-CB 3.28Å; L185-C189 WeakPolarHBondContact O-CB 3.29Å; L185-C189 PolarHBondContact O-N 3.36Å; L185-C189 PolarHBondContact O-SG 3.01Å
186Q94Very high92.2Very high91 Ų9147 Ų4743%0.42522%0.219SC..Hα-helixtrans-61.4-44.2176.7-73176.5-34.200110.9L129 L182 S183 C189 A190L129-Q186 HydrophobicContact CD2-CB 4.05Å; L182-Q186 HydrophobicContact CD1-CG 4.44Å; L182-Q186 WeakPolarHBondContact O-CG 3.43Å; L182-Q186 PolarHBondContact O-N 3.01Å; S183-Q186 PolarHBondContact O-N 2.94Å; Q186-C189 PolarHBondContact O-N 3.1Å; Q186-A190 WeakPolarHBondContact O-CB 3.29Å; Q186-A190 PolarHBondContact O-N 3.34Å
187Y93.8Very high92.6Very high2 Ų250.6 Ų50.61%0.00823%0.232CC..Hα-helixtrans-67.3-44.2-178.9-172-142.2000112.6L23 E27 V126 L129 K130 F133 S183 S184 L185 C189 A190 L191L23-Y187 HydrophobicContact CD1-CD1 4.17Å; L23-Y187 HydrophobicContact CD1-CE1 3.91Å; L23-Y187 HydrophobicContact CD2-CE1 4.39Å; L23-Y187 HydrophobicContact CG-CE1 4.48Å; E27-Y187 HydrophobicContact CG-CE1 4.47Å; E27-Y187 WeakPolarHBondContact CG-OH 3.33Å; E27-Y187 WeakPolarHBondContact OE1-CE1 3.33Å; E27-Y187 PolarHBondContact OE1-OH 2.8Å; V126-Y187 HydrophobicContact CG1-CE2 4.13Å; L129-Y187 HydrophobicContact CB-CD2 3.76Å; L129-Y187 HydrophobicContact CB-CG 4.44Å; K130-Y187 HydrophobicContact CB-CE1 4.36Å; K130-Y187 HydrophobicContact CB-CE2 3.75Å; K130-Y187 WeakPolarHBondContact CB-OH 3.4Å; K130-Y187 HydrophobicContact CG-CE1 4.39Å; K130-Y187 WeakPolarHBondContact CG-OH 3.35Å; F133-Y187 HydrophobicContact CB-CD1 4.02Å; F133-Y187 HydrophobicContact CB-CG 4.4Å; F133-Y187 AromaticContact CD1-CD1 3.65Å; F133-Y187 HydrophobicContact CD1-CD1 3.65Å; F133-Y187 AromaticContact CD1-CE1 3.82Å; F133-Y187 HydrophobicContact CD1-CE1 3.82Å; F133-Y187 HydrophobicContact CD2-CD1 4.12Å; F133-Y187 HydrophobicContact CE1-CD1 4.01Å; F133-Y187 HydrophobicContact CE1-CE1 4.14Å; F133-Y187 HydrophobicContact CE2-CD1 4.42Å; F133-Y187 AromaticContact CG-CD1 3.68Å; F133-Y187 HydrophobicContact CG-CD1 3.68Å; F133-Y187 HydrophobicContact CG-CE1 4.28Å; F133-Y187 HydrophobicContact CG-CG 4.43Å; F133-Y187 HydrophobicContact CZ-CD1 4.33Å; S183-Y187 WeakPolarHBondContact O-CB 3.45Å; S183-Y187 PolarHBondContact O-N 2.89Å; S184-Y187 PolarHBondContact O-N 3.41Å; L185-Y187 VanDerWaalsContact C-N 3.32Å; L185-Y187 PolarHBondContact O-N 3.01Å; Y187-C189 VanDerWaalsContact C-N 3.33Å; Y187-C189 PolarHBondContact O-N 3.28Å; Y187-A190 PolarHBondContact O-N 3.33Å; Y187-L191 HydrophobicContact CD1-CD1 4.24Å; Y187-L191 HydrophobicContact CD2-CD1 4.21Å; Y187-L191 HydrophobicContact CD2-CG 4.21Å; Y187-L191 HydrophobicContact CE1-CD1 3.86Å; Y187-L191 HydrophobicContact CE2-CD1 3.81Å; Y187-L191 HydrophobicContact CE2-CD2 4.24Å; Y187-L191 HydrophobicContact CE2-CG 3.84Å; Y187-L191 HydrophobicContact CG-CD1 4.4Å; Y187-L191 PolarHBondContact O-N 3.44Å
188Y94.6Very high92.8Very high0 Ų047.5 Ų47.50%022%0.221CC..Hα-helixtrans-64.8-39.7177.9-72.318.5000111L7 A12 T19 L23 F133 S184 N192L7-Y188 HydrophobicContact CB-CD2 3.96Å; L7-Y188 HydrophobicContact CB-CG 4.05Å; L7-Y188 HydrophobicContact CD1-CD1 4.12Å; L7-Y188 HydrophobicContact CD1-CG 4.09Å; A12-Y188 HydrophobicContact CB-CD2 4.11Å; A12-Y188 HydrophobicContact CB-CE2 3.94Å; T19-Y188 HydrophobicContact CG2-CE2 3.8Å; T19-Y188 WeakPolarHBondContact CG2-OH 3.17Å; L23-Y188 HydrophobicContact CD1-CD1 3.93Å; L23-Y188 HydrophobicContact CD1-CE1 3.66Å; L23-Y188 HydrophobicContact CD2-CE1 3.72Å; L23-Y188 HydrophobicContact CG-CE1 4.2Å; F133-Y188 HydrophobicContact CE2-CE1 4.39Å; F133-Y188 HydrophobicContact CZ-CE1 4.29Å; S184-Y188 WeakPolarHBondContact O-CB 3.22Å; S184-Y188 WeakPolarHBondContact O-CD1 3.38Å; S184-Y188 VanDerWaalsContact O-CG 3.29Å; S184-Y188 PolarHBondContact O-N 3.11Å; Y188-N192 VanDerWaalsContact O-CB 3.3Å; Y188-N192 WeakPolarHBondContact O-CB 3.47Å; Y188-N192 PolarHBondContact O-N 2.87Å; Y188-N192 PolarHBondContact O-ND2 3.19Å
189C95.4Very high93Very high61 Ų6142.5 Ų42.541%0.41220%0.202SC..Hα-helixtrans-60.3-45.6172.9-780000111.9L185 Q186 Y187 N192 A193L185-C189 VanDerWaalsContact O-CB 3.28Å; L185-C189 WeakPolarHBondContact O-CB 3.29Å; L185-C189 PolarHBondContact O-N 3.36Å; L185-C189 PolarHBondContact O-SG 3.01Å; Q186-C189 PolarHBondContact O-N 3.1Å; Y187-C189 VanDerWaalsContact C-N 3.33Å; Y187-C189 PolarHBondContact O-N 3.28Å; C189-N192 PolarHBondContact O-N 3.31Å; C189-A193 WeakPolarHBondContact O-CB 3.46Å; C189-A193 PolarHBondContact O-N 2.71Å
190A96.2Very high93.4Very high10 Ų1042.3 Ų42.38%0.08320%0.204CC..Hα-helixtrans-63.4-45.7179.200000112V126 L129 Q186 Y187 N192 A193 L194V126-A190 HydrophobicContact CG2-CB 4.2Å; L129-A190 HydrophobicContact CD1-CB 3.47Å; L129-A190 VanDerWaalsContact CD1-CB 3.47Å; Q186-A190 WeakPolarHBondContact O-CB 3.29Å; Q186-A190 PolarHBondContact O-N 3.34Å; Y187-A190 PolarHBondContact O-N 3.33Å; A190-N192 PolarHBondContact O-N 3.04Å; A190-A193 PolarHBondContact O-N 2.94Å; A190-L194 WeakPolarHBondContact O-CB 3.42Å; A190-L194 PolarHBondContact O-N 3.49Å
191L95.5Very high93.8Very high0 Ų042 Ų420%020%0.204CC..Hα-helixtrans-63.3-40.8176.3-75.4172000112.5L7 L23 F26 A30 V126 Y187 L194 Q195L7-L191 HydrophobicContact CD1-CB 3.94Å; L7-L191 HydrophobicContact CD1-CD1 3.76Å; L23-L191 HydrophobicContact CD1-CD1 3.41Å; L23-L191 VanDerWaalsContact CD1-CD1 3.41Å; F26-L191 HydrophobicContact CB-CD1 4.07Å; F26-L191 HydrophobicContact CB-CD2 4.41Å; F26-L191 HydrophobicContact CD1-CB 4.1Å; A30-L191 HydrophobicContact CB-CD2 4.28Å; V126-L191 HydrophobicContact CG1-CD2 3.78Å; Y187-L191 HydrophobicContact CD1-CD1 4.24Å; Y187-L191 HydrophobicContact CD2-CD1 4.21Å; Y187-L191 HydrophobicContact CD2-CG 4.21Å; Y187-L191 HydrophobicContact CE1-CD1 3.86Å; Y187-L191 HydrophobicContact CE2-CD1 3.81Å; Y187-L191 HydrophobicContact CE2-CD2 4.24Å; Y187-L191 HydrophobicContact CE2-CG 3.84Å; Y187-L191 HydrophobicContact CG-CD1 4.4Å; Y187-L191 PolarHBondContact O-N 3.44Å; L191-L194 WeakPolarHBondContact O-CB 3.49Å; L191-L194 PolarHBondContact O-N 3.28Å; L191-Q195 PolarHBondContact O-N 3.39Å
192N95.2Very high94Very high15 Ų1541.7 Ų41.78%0.0820%0.203CC..Hα-helixtrans-63.6-42.2174.2-76.1-26.2000111.7K6 L7 Y188 C189 A190 L194 Q195 Y196K6-N192 HydrophobicContact CG-CB 4.46Å; K6-N192 WeakPolarHBondContact CG-ND2 3.45Å; K6-N192 WeakPolarHBondContact CG-OD1 3.46Å; L7-N192 PolarHBondContact N-OD1 2.97Å; L7-N192 PolarHBondContact O-ND2 3.41Å; Y188-N192 VanDerWaalsContact O-CB 3.3Å; Y188-N192 WeakPolarHBondContact O-CB 3.47Å; Y188-N192 PolarHBondContact O-N 2.87Å; Y188-N192 PolarHBondContact O-ND2 3.19Å; C189-N192 PolarHBondContact O-N 3.31Å; A190-N192 PolarHBondContact O-N 3.04Å; N192-L194 VanDerWaalsContact C-N 3.33Å; N192-Q195 PolarHBondContact O-N 3.48Å; N192-Y196 WeakPolarHBondContact O-CD2 3.46Å
193A95.3Very high94.3Very high33 Ų3342.1 Ų42.127%0.27320%0.203SC..Hα-helixtrans-65.1-38.317600000111.6C189 A190 Q195 Y196 R197C189-A193 WeakPolarHBondContact O-CB 3.46Å; C189-A193 PolarHBondContact O-N 2.71Å; A190-A193 PolarHBondContact O-N 2.94Å; A193-Q195 PolarHBondContact O-N 3.28Å; A193-Y196 PolarHBondContact O-N 3Å; A193-R197 PolarHBondContact O-N 3.33Å
194L95.8Very high94.6Very high2 Ų247 Ų471%0.0123%0.226CC..Hα-helixtrans-57.2-35178-175.666.1000112.1A30 L33 F118 L123 V126 A190 L191 N192 Y196 R197 K198A30-L194 HydrophobicContact CB-CD2 3.92Å; L33-L194 HydrophobicContact CD2-CD1 4.17Å; L33-L194 HydrophobicContact CD2-CD2 4.25Å; L33-L194 HydrophobicContact CD2-CG 4.18Å; F118-L194 HydrophobicContact CE2-CD1 3.99Å; F118-L194 HydrophobicContact CZ-CD1 3.72Å; L123-L194 HydrophobicContact CD2-CD1 3.8Å; L123-L194 HydrophobicContact CD2-CD2 4.39Å; V126-L194 HydrophobicContact CG1-CD2 4.38Å; V126-L194 HydrophobicContact CG2-CB 4.41Å; V126-L194 HydrophobicContact CG2-CD2 4.18Å; A190-L194 WeakPolarHBondContact O-CB 3.42Å; A190-L194 PolarHBondContact O-N 3.49Å; L191-L194 WeakPolarHBondContact O-CB 3.49Å; L191-L194 PolarHBondContact O-N 3.28Å; N192-L194 VanDerWaalsContact C-N 3.33Å; L194-Y196 PolarHBondContact O-N 3.1Å; L194-R197 PolarHBondContact O-N 3.48Å; L194-K198 WeakPolarHBondContact O-CB 3.48Å; L194-K198 PolarHBondContact O-N 3.18Å
195Q93.4Very high95Very high18 Ų1847 Ų478%0.08423%0.226CC..Hα-helixtrans-62.2-26.9177.1-63.4-57.7-37.700113.6V4 F26 D29 L191 N192 A193V4-Q195 HydrophobicContact CG1-CB 3.47Å; V4-Q195 VanDerWaalsContact CG1-CB 3.47Å; V4-Q195 HydrophobicContact CG1-CG 3.87Å; F26-Q195 HydrophobicContact CE1-CG 4.04Å; D29-Q195 PolarHBondContact OD2-NE2 3.29Å; L191-Q195 PolarHBondContact O-N 3.39Å; N192-Q195 PolarHBondContact O-N 3.48Å; A193-Q195 PolarHBondContact O-N 3.28Å
196Y93.8Very high95.2Very high137 Ų13748.8 Ų48.854%0.53723%0.234SC..Hα-helixtrans-88.9-45.3172.6-64.4-85.6000111.4V4 N192 A193 L194 K198 R199 M200V4-Y196 HydrophobicContact CG2-CE1 4.32Å; N192-Y196 WeakPolarHBondContact O-CD2 3.46Å; A193-Y196 PolarHBondContact O-N 3Å; L194-Y196 PolarHBondContact O-N 3.1Å; Y196-K198 VanDerWaalsContact C-N 3.27Å; Y196-K198 PolarHBondContact O-N 3.24Å; Y196-R199 WeakPolarHBondContact O-CB 3.26Å; Y196-R199 PolarHBondContact O-N 3.5Å; Y196-R199 VanDerWaalsContact O-N 3.07Å; Y196-M200 PolarHBondContact O-N 3.34Å
197R95.4Very high95.4Very high80 Ų8049 Ų4930%0.30224%0.237SC..Hα-helixtrans-58-39.2178.9-64.3-169.2-173.4158.55.4111.4F118 D122 E125 A193 L194 R199 M200 A201F118-R197 HydrophobicContact CD2-CB 4.4Å; F118-R197 HydrophobicContact CE2-CB 3.77Å; D122-R197 VanDerWaalsContact CG-CD 3.43Å; D122-R197 WeakPolarHBondContact OD1-CD 3.28Å; D122-R197 IonicContact OD1-CZ 2.77Å; D122-R197 IonicContact OD1-NE 2.86Å; D122-R197 IonicContact OD1-NH1 3.66Å; D122-R197 PolarHBondContact OD1-NH1 2.99Å; E125-R197 IonicContact OE2-CZ 3.94Å; E125-R197 IonicContact OE2-NH1 2.72Å; E125-R197 PolarHBondContact OE2-NH1 3.36Å; E125-R197 IonicContact OE2-NH2 3.9Å; A193-R197 PolarHBondContact O-N 3.33Å; L194-R197 PolarHBondContact O-N 3.48Å; R197-R199 VanDerWaalsContact C-N 3.29Å; R197-R199 PolarHBondContact O-N 3.17Å; R197-M200 HydrophobicContact CG-CE 4.37Å; R197-M200 PolarHBondContact O-N 2.63Å; R197-A201 VanDerWaalsContact O-CB 3.26Å; R197-A201 WeakPolarHBondContact O-CB 3.5Å; R197-A201 PolarHBondContact O-N 3.29Å
198K94.2Very high95.5Very high44 Ų4449.2 Ų49.219%0.19124%0.24CC..Hα-helixtrans-57.8-39.8176.381.4-179.5-176.6-178.10112.7D29 L33 F118 L194 Y196 M202D29-K198 IonicContact OD1-NZ 3.21Å; D29-K198 PolarHBondContact OD1-NZ 3.02Å; D29-K198 IonicContact OD2-NZ 3.06Å; D29-K198 PolarHBondContact OD2-NZ 3.5Å; L33-K198 HydrophobicContact CD1-CB 4.15Å; L33-K198 HydrophobicContact CD2-CB 3.6Å; L33-K198 HydrophobicContact CD2-CD 4.07Å; F118-K198 HydrophobicContact CZ-CB 4.31Å; L194-K198 WeakPolarHBondContact O-CB 3.48Å; L194-K198 PolarHBondContact O-N 3.18Å; Y196-K198 VanDerWaalsContact C-N 3.27Å; Y196-K198 PolarHBondContact O-N 3.24Å; K198-M202 VanDerWaalsContact O-CG 3.29Å; K198-M202 WeakPolarHBondContact O-CG 3.44Å; K198-M202 PolarHBondContact O-N 3.08Å
199R93.6Very high95.7Very high86 Ų8652.3 Ų52.333%0.32525%0.254SS..Hα-helixtrans-67.3-46.1179.5-65.4-179.9179.8-174.1-0.1111Y196 R197 M202 M203Y196-R199 WeakPolarHBondContact O-CB 3.26Å; Y196-R199 PolarHBondContact O-N 3.5Å; Y196-R199 VanDerWaalsContact O-N 3.07Å; R197-R199 VanDerWaalsContact C-N 3.29Å; R197-R199 PolarHBondContact O-N 3.17Å; R199-M202 PolarHBondContact O-N 2.78Å; R199-M203 HydrophobicContact CB-CE 4.01Å; R199-M203 WeakPolarHBondContact O-CE 3.43Å; R199-M203 WeakPolarHBondContact O-CG 3.39Å; R199-M203 PolarHBondContact O-N 3.08Å
200M94.3Very high95.9Very high93 Ų9351.4 Ų51.446%0.45825%0.251SS..Hα-helixtrans-64.2-47.9178.4-64.1-175.8-61.600111Y196 R197 M202 M203 E204Y196-M200 PolarHBondContact O-N 3.34Å; R197-M200 HydrophobicContact CG-CE 4.37Å; R197-M200 PolarHBondContact O-N 2.63Å; M200-M202 PolarHBondContact O-N 3.27Å; M200-M202 VanDerWaalsContact O-N 3.15Å; M200-M203 PolarHBondContact O-N 3.32Å; M200-E204 WeakPolarHBondContact O-CG 3.34Å; M200-E204 PolarHBondContact O-N 3.18Å
201A95.7Very high96Very high5 Ų555.9 Ų55.94%0.04127%0.27CS..Hα-helixtrans-60.5-26.9-179.400000113.8I115 F118 R197 P205I115-A201 WeakPolarHBondContact CD1-O 3.41Å; F118-A201 HydrophobicContact CB-CB 3.97Å; F118-A201 HydrophobicContact CD1-CB 3.89Å; F118-A201 HydrophobicContact CD2-CB 3.4Å; F118-A201 VanDerWaalsContact CD2-CB 3.4Å; F118-A201 HydrophobicContact CE1-CB 4.25Å; F118-A201 HydrophobicContact CE2-CB 3.83Å; F118-A201 HydrophobicContact CG-CB 3.46Å; F118-A201 VanDerWaalsContact CG-CB 3.46Å; F118-A201 HydrophobicContact CZ-CB 4.23Å; R197-A201 VanDerWaalsContact O-CB 3.26Å; R197-A201 WeakPolarHBondContact O-CB 3.5Å; R197-A201 PolarHBondContact O-N 3.29Å; A201-P205 WeakPolarHBondContact O-CD 3.15Å; A201-P205 WeakPolarHBondContact O-CG 3.49Å
202M94.6Very high96.1Very high48 Ų4856 Ų5624%0.23627%0.27CS..Hα-helixtrans-82.9-28.1174.4-65-47.7108.200113.1Y36 T37 L40 I115 F118 K198 R199 M200 M206Y36-M202 HydrophobicContact CD1-SD 4.33Å; Y36-M202 HydrophobicContact CE1-SD 3.76Å; T37-M202 HydrophobicContact CG2-CE 3.55Å; L40-M202 HydrophobicContact CD2-SD 3.7Å; I115-M202 HydrophobicContact CD1-CE 4.06Å; F118-M202 HydrophobicContact CE1-CE 4.49Å; K198-M202 VanDerWaalsContact O-CG 3.29Å; K198-M202 WeakPolarHBondContact O-CG 3.44Å; K198-M202 PolarHBondContact O-N 3.08Å; R199-M202 PolarHBondContact O-N 2.78Å; M200-M202 PolarHBondContact O-N 3.27Å; M200-M202 VanDerWaalsContact O-N 3.15Å; M202-M206 WeakPolarHBondContact O-CG 3.38Å
203M96.3Very high96.2Very high106 Ų10657.2 Ų57.252%0.52228%0.275SS..Hα-helixtrans-91.3-41.8-174.5-70.8-173.8-77.800112.8R199 M200 M206 I207R199-M203 HydrophobicContact CB-CE 4.01Å; R199-M203 WeakPolarHBondContact O-CE 3.43Å; R199-M203 WeakPolarHBondContact O-CG 3.39Å; R199-M203 PolarHBondContact O-N 3.08Å; M200-M203 PolarHBondContact O-N 3.32Å; M203-M206 PolarHBondContact O-N 2.89Å; M203-M206 VanDerWaalsContact O-N 3.09Å; M203-I207 WeakPolarHBondContact O-CG1 2.99Å; M203-I207 PolarHBondContact O-N 3.32Å
204E95.8Very high96.4Very high107 Ų10760.5 Ų60.550%0.529%0.287SS..Hα-helixtrans-56.2-47.4-177.5-73173.6178.200112.8M200 M206 I207 G208M200-E204 WeakPolarHBondContact O-CG 3.34Å; M200-E204 PolarHBondContact O-N 3.18Å; E204-M206 VanDerWaalsContact C-N 3.27Å; E204-M206 PolarHBondContact O-N 2.7Å; E204-I207 PolarHBondContact O-N 3.39Å; E204-G208 PolarHBondContact O-N 2.86Å
205P97.9Very high96.4Very high0 Ų063.5 Ų63.50%030%0.303CS..Hα-helixtrans-58.8-35.9175.5-27.336.4000114.2M44 T110 M111 P114 I115 A201 G208 F209M44-P205 HydrophobicContact CE-CB 3.6Å; M44-P205 HydrophobicContact CE-CG 4.29Å; M44-P205 HydrophobicContact SD-CB 4.39Å; T110-P205 WeakPolarHBondContact O-CA 3.39Å; M111-P205 HydrophobicContact CB-CB 4.46Å; M111-P205 HydrophobicContact CG-CB 4.1Å; P114-P205 HydrophobicContact CB-CG 4.34Å; I115-P205 HydrophobicContact CD1-CG 3.76Å; I115-P205 HydrophobicContact CG1-CB 4.34Å; I115-P205 HydrophobicContact CG1-CG 3.63Å; A201-P205 WeakPolarHBondContact O-CD 3.15Å; A201-P205 WeakPolarHBondContact O-CG 3.49Å; P205-G208 PolarHBondContact O-N 3.46Å; P205-F209 VanDerWaalsContact O-CB 3.3Å; P205-F209 WeakPolarHBondContact O-CB 3.5Å; P205-F209 PolarHBondContact O-N 3.21Å
206M98Very high96.6Very high87 Ų8764.1 Ų64.143%0.42931%0.306SS..Hα-helixtrans-72.8-36.3-179-64.5-61.897.400111.5M44 M202 M203 E204 A210M44-M206 HydrophobicContact CE-CE 3.31Å; M202-M206 WeakPolarHBondContact O-CG 3.38Å; M203-M206 PolarHBondContact O-N 2.89Å; M203-M206 VanDerWaalsContact O-N 3.09Å; E204-M206 VanDerWaalsContact C-N 3.27Å; E204-M206 PolarHBondContact O-N 2.7Å; M206-A210 VanDerWaalsContact O-CB 3.29Å; M206-A210 WeakPolarHBondContact O-CB 3.22Å; M206-A210 PolarHBondContact O-N 3.43Å
207I98Very high96.9Very high95 Ų9564.1 Ų64.149%0.48731%0.309SS..Hα-helixtrans-65.1-45.8173-65.2167.4000109.9M203 E204 A210 H211M203-I207 WeakPolarHBondContact O-CG1 2.99Å; M203-I207 PolarHBondContact O-N 3.32Å; E204-I207 PolarHBondContact O-N 3.39Å; I207-A210 PolarHBondContact O-N 3.26Å; I207-H211 PolarHBondContact O-N 3.06Å; I207-H211 PolarHBondContact O-ND1 2.85Å
208G97.5Very high97Very high7 Ų766.5 Ų66.57%0.07232%0.322CS..Hα-helixtrans-58-50.417600000112.5T110 E204 P205 A210 H211 G212T110-G208 VanDerWaalsContact OG1-CA 3.25Å; T110-G208 WeakPolarHBondContact OG1-CA 3.44Å; T110-G208 PolarHBondContact OG1-O 3.46Å; E204-G208 PolarHBondContact O-N 2.86Å; P205-G208 PolarHBondContact O-N 3.46Å; G208-A210 PolarHBondContact O-N 3.38Å; G208-H211 PolarHBondContact O-N 2.94Å; G208-G212 PolarHBondContact O-N 3.19Å
209F98.4Very high97.1Very high65 Ų6568.1 Ų68.129%0.28533%0.329SS..Hα-helixtrans-55.1-51.5174.4174.6-94.5000112V47 L107 M111 P205 H211 G212 Q213V47-F209 HydrophobicContact CG1-CE2 4.32Å; L107-F209 HydrophobicContact CD2-CB 4.43Å; L107-F209 HydrophobicContact CD2-CD2 3.49Å; L107-F209 VanDerWaalsContact CD2-CD2 3.49Å; L107-F209 HydrophobicContact CD2-CE2 4.17Å; L107-F209 HydrophobicContact CD2-CG 4.36Å; M111-F209 HydrophobicContact CB-CB 4.48Å; M111-F209 HydrophobicContact CG-CB 4.4Å; M111-F209 HydrophobicContact SD-CB 4.03Å; M111-F209 HydrophobicContact SD-CD2 3.64Å; M111-F209 HydrophobicContact SD-CG 4.19Å; P205-F209 VanDerWaalsContact O-CB 3.3Å; P205-F209 WeakPolarHBondContact O-CB 3.5Å; P205-F209 PolarHBondContact O-N 3.21Å; F209-H211 PolarHBondContact O-N 2.84Å; F209-G212 PolarHBondContact O-N 2.97Å; F209-Q213 HydrophobicContact CD1-CG 4.23Å; F209-Q213 HydrophobicContact CD2-CG 4.46Å; F209-Q213 HydrophobicContact CE1-CG 3.78Å; F209-Q213 HydrophobicContact CE2-CG 4.04Å; F209-Q213 HydrophobicContact CZ-CG 3.67Å; F209-Q213 WeakPolarHBondContact O-CG 3.36Å; F209-Q213 PolarHBondContact O-N 3.03Å
210A98.5Very high97.2Very high42 Ų4264.5 Ų64.535%0.34732%0.318SS..Hα-helixtrans-61.6-43.8-177.600000112.3M206 I207 G208 G212 Q213 I214M206-A210 VanDerWaalsContact O-CB 3.29Å; M206-A210 WeakPolarHBondContact O-CB 3.22Å; M206-A210 PolarHBondContact O-N 3.43Å; I207-A210 PolarHBondContact O-N 3.26Å; G208-A210 PolarHBondContact O-N 3.38Å; A210-G212 VanDerWaalsContact C-N 3.34Å; A210-G212 PolarHBondContact O-N 3.32Å; A210-Q213 PolarHBondContact O-N 2.85Å; A210-I214 VanDerWaalsContact O-CG1 3.26Å; A210-I214 WeakPolarHBondContact O-CG1 3.45Å; A210-I214 PolarHBondContact O-N 3.39Å
211H98.1Very high97.3Very high104 Ų10463.4 Ų63.448%0.48132%0.323SS..Hα-helixtrans-62.9-40.1175-73.2143.5000112.4I207 G208 F209 I214 N215I207-H211 PolarHBondContact O-N 3.06Å; I207-H211 PolarHBondContact O-ND1 2.85Å; G208-H211 PolarHBondContact O-N 2.94Å; F209-H211 PolarHBondContact O-N 2.84Å; H211-I214 PolarHBondContact O-N 2.91Å; H211-N215 WeakPolarHBondContact O-CB 3.41Å; H211-N215 VanDerWaalsContact O-CG 3.26Å; H211-N215 PolarHBondContact O-N 3.39Å; H211-N215 PolarHBondContact O-ND2 2.93Å
212G98Very high97.2Very high1 Ų169 Ų691%0.0135%0.349CS..Hα-helixtrans-58.9-49175.300000111.5L103 G208 F209 A210 N215 F216L103-G212 VanDerWaalsContact CD1-C 3.45Å; G208-G212 PolarHBondContact O-N 3.19Å; F209-G212 PolarHBondContact O-N 2.97Å; A210-G212 VanDerWaalsContact C-N 3.34Å; A210-G212 PolarHBondContact O-N 3.32Å; G212-N215 PolarHBondContact O-N 3.45Å; G212-F216 WeakPolarHBondContact O-CB 3.27Å; G212-F216 PolarHBondContact O-N 3.44Å
213Q98.3Very high97.2Very high41 Ų4168.3 Ų68.319%0.19235%0.345CS..Hα-helixtrans-61.8-46.4177.9-65.3-61.3-26.900112.2F209 A210 N215 F216 F217F209-Q213 HydrophobicContact CD1-CG 4.23Å; F209-Q213 HydrophobicContact CD2-CG 4.46Å; F209-Q213 HydrophobicContact CE1-CG 3.78Å; F209-Q213 HydrophobicContact CE2-CG 4.04Å; F209-Q213 HydrophobicContact CZ-CG 3.67Å; F209-Q213 WeakPolarHBondContact O-CG 3.36Å; F209-Q213 PolarHBondContact O-N 3.03Å; A210-Q213 PolarHBondContact O-N 2.85Å; Q213-N215 VanDerWaalsContact C-N 3.31Å; Q213-N215 PolarHBondContact O-N 2.77Å; Q213-F216 PolarHBondContact O-N 3.4Å; Q213-F217 HydrophobicContact CB-CD2 4.39Å; Q213-F217 HydrophobicContact CB-CE2 4.44Å; Q213-F217 WeakPolarHBondContact O-CD2 3.46Å; Q213-F217 PolarHBondContact O-N 3.13Å
214I98.3Very high97.1Very high102 Ų10268 Ų6852%0.52334%0.341SS..Hα-helixtrans-56.8-47.1178-71.6165.2000110.8A210 H211 K218A210-I214 VanDerWaalsContact O-CG1 3.26Å; A210-I214 WeakPolarHBondContact O-CG1 3.45Å; A210-I214 PolarHBondContact O-N 3.39Å; H211-I214 PolarHBondContact O-N 2.91Å; I214-K218 WeakPolarHBondContact O-CB 3.39Å; I214-K218 PolarHBondContact O-N 2.54Å
215N97Very high96.9Very high65 Ų6565.2 Ų65.235%0.34833%0.334SS..Hα-helixtrans-63.6-44.8179.8-71.9-16.2000111.7H211 G212 Q213 K218 K219H211-N215 WeakPolarHBondContact O-CB 3.41Å; H211-N215 VanDerWaalsContact O-CG 3.26Å; H211-N215 PolarHBondContact O-N 3.39Å; H211-N215 PolarHBondContact O-ND2 2.93Å; G212-N215 PolarHBondContact O-N 3.45Å; Q213-N215 VanDerWaalsContact C-N 3.31Å; Q213-N215 PolarHBondContact O-N 2.77Å; N215-K218 PolarHBondContact O-N 3.31Å; N215-K219 WeakPolarHBondContact O-CB 3.37Å; N215-K219 WeakPolarHBondContact O-CG 3.34Å; N215-K219 PolarHBondContact O-N 3.25Å
216F98.1Very high96.5Very high32 Ų3273.9 Ų73.914%0.1437%0.371CS..Hα-helixtrans-59.4-52.6177.9177.7-96.7000111.6L96 L99 H100 L103 G212 Q213 K218 K219 G220L96-F216 HydrophobicContact CD1-CZ 4.48Å; L99-F216 HydrophobicContact CB-CD2 3.95Å; L99-F216 HydrophobicContact CB-CE2 3.86Å; H100-F216 AromaticContact CE1-CE2 3.82Å; H100-F216 AromaticContact CE1-CZ 3.45Å; H100-F216 VanDerWaalsContact CE1-CZ 3.45Å; H100-F216 WeakPolarHBondContact CE1-CZ 3.49Å; H100-F216 AromaticContact ND1-CE2 3.74Å; H100-F216 AromaticContact ND1-CZ 3.84Å; H100-F216 AromaticContact NE2-CZ 3.86Å; L103-F216 HydrophobicContact CB-CB 4.38Å; L103-F216 HydrophobicContact CB-CD2 4.01Å; L103-F216 HydrophobicContact CB-CG 4.45Å; L103-F216 HydrophobicContact CD1-CB 4.38Å; L103-F216 HydrophobicContact CD2-CB 3.86Å; L103-F216 HydrophobicContact CD2-CD1 4.16Å; L103-F216 HydrophobicContact CD2-CD2 3.8Å; L103-F216 HydrophobicContact CD2-CE2 4.42Å; L103-F216 HydrophobicContact CD2-CG 3.66Å; L103-F216 HydrophobicContact CG-CB 4.44Å; G212-F216 WeakPolarHBondContact O-CB 3.27Å; G212-F216 PolarHBondContact O-N 3.44Å; Q213-F216 PolarHBondContact O-N 3.4Å; F216-K218 PolarHBondContact O-N 2.9Å; F216-K219 PolarHBondContact O-N 3.09Å; F216-G220 PolarHBondContact O-N 3.41Å
217F98.1Very high96.2Very high137 Ų13775.3 Ų75.360%0.60138%0.377SS*.Hα-helixtrans-66-37.6-179.4-77.9-66.2000112.7Q213 A221Q213-F217 HydrophobicContact CB-CD2 4.39Å; Q213-F217 HydrophobicContact CB-CE2 4.44Å; Q213-F217 WeakPolarHBondContact O-CD2 3.46Å; Q213-F217 PolarHBondContact O-N 3.13Å; F217-A221 VanDerWaalsContact O-CB 3.29Å; F217-A221 WeakPolarHBondContact O-CB 3.27Å; F217-A221 PolarHBondContact O-N 3.01Å
218K97.5Very high96.1Very high130 Ų13071.4 Ų71.457%0.56536%0.357SS*.Hα-helixtrans-63.6-52.1177.6-176.5-178.6174-172.70111.3I214 N215 F216 G220 A221 E222I214-K218 WeakPolarHBondContact O-CB 3.39Å; I214-K218 PolarHBondContact O-N 2.54Å; N215-K218 PolarHBondContact O-N 3.31Å; F216-K218 PolarHBondContact O-N 2.9Å; K218-G220 VanDerWaalsContact C-N 3.33Å; K218-G220 PolarHBondContact O-N 2.71Å; K218-A221 PolarHBondContact O-N 3.42Å; K218-E222 WeakPolarHBondContact CE-OE1 3.47Å; K218-E222 WeakPolarHBondContact O-CG 3.42Å; K218-E222 PolarHBondContact O-N 3.32Å; K218-E222 VanDerWaalsContact O-N 3.1Å
219K96.3Very high95.9Very high78 Ų7875.5 Ų75.534%0.33938%0.377SS..Hα-helixtrans-64.7-38.2178.1-70.4178.9173.6-179.60111.7L99 E102 N215 F216 E222 M223L99-K219 HydrophobicContact CD1-CB 3.97Å; L99-K219 HydrophobicContact CD2-CB 3.71Å; L99-K219 HydrophobicContact CD2-CD 3.72Å; L99-K219 HydrophobicContact CD2-CG 4.36Å; E102-K219 IonicContact OE1-NZ 3.42Å; E102-K219 PolarHBondContact OE1-NZ 3.18Å; E102-K219 IonicContact OE2-NZ 3.54Å; E102-K219 PolarHBondContact OE2-NZ 3.14Å; N215-K219 WeakPolarHBondContact O-CB 3.37Å; N215-K219 WeakPolarHBondContact O-CG 3.34Å; N215-K219 PolarHBondContact O-N 3.25Å; F216-K219 PolarHBondContact O-N 3.09Å; K219-E222 PolarHBondContact O-N 3.25Å; K219-M223 PolarHBondContact O-N 2.62Å
220G96.6Very high95.8Very high10 Ų1075.7 Ų75.710%0.10339%0.386CS..Hα-helixtrans-62.9-41.5175.600000112.7F216 K218 E222 M223 F224F216-G220 PolarHBondContact O-N 3.41Å; K218-G220 VanDerWaalsContact C-N 3.33Å; K218-G220 PolarHBondContact O-N 2.71Å; G220-E222 VanDerWaalsContact C-N 3.33Å; G220-E222 PolarHBondContact O-N 2.98Å; G220-M223 WeakPolarHBondContact O-CB 3.43Å; G220-M223 PolarHBondContact O-N 3.05Å; G220-F224 VanDerWaalsContact O-CD2 3.26Å; G220-F224 WeakPolarHBondContact O-CD2 3.46Å; G220-F224 PolarHBondContact O-N 2.76Å
221A95.8Very high95.7Very high69 Ų6975.5 Ų75.557%0.5738%0.378SS*.Hα-helixtrans-67.8-32.4175.600000112.9F217 K218F217-A221 VanDerWaalsContact O-CB 3.29Å; F217-A221 WeakPolarHBondContact O-CB 3.27Å; F217-A221 PolarHBondContact O-N 3.01Å; K218-A221 PolarHBondContact O-N 3.42Å
222E94.9Very high95.6Very high122 Ų12274 Ų7457%0.5737%0.373SS*.Hα-helixtrans-68.1-37.7172.8-71.2170.1-167.500111.6K218 K219 G220 S225K218-E222 WeakPolarHBondContact CE-OE1 3.47Å; K218-E222 WeakPolarHBondContact O-CG 3.42Å; K218-E222 PolarHBondContact O-N 3.32Å; K218-E222 VanDerWaalsContact O-N 3.1Å; K219-E222 PolarHBondContact O-N 3.25Å; G220-E222 VanDerWaalsContact C-N 3.33Å; G220-E222 PolarHBondContact O-N 2.98Å; E222-S225 WeakPolarHBondContact O-CB 3.46Å
223M94.3Very high95.6Very high34 Ų3477.3 Ų77.317%0.16740%0.396CS..Hα-helixtrans-67.5-52.1175.9180-174.3-61.600112.2E95 L96 L99 K219 G220 S225E95-M223 VanDerWaalsContact C-CE 3.47Å; E95-M223 HydrophobicContact CB-CE 3.6Å; E95-M223 HydrophobicContact CB-SD 4.17Å; E95-M223 WeakPolarHBondContact O-CE 3.35Å; L96-M223 HydrophobicContact CB-SD 4.12Å; L99-M223 HydrophobicContact CD1-CE 3.52Å; L99-M223 HydrophobicContact CG-CE 3.9Å; K219-M223 PolarHBondContact O-N 2.62Å; G220-M223 WeakPolarHBondContact O-CB 3.43Å; G220-M223 PolarHBondContact O-N 3.05Å; M223-S225 PolarHBondContact O-N 2.85Å
224F93.8Very high95.6Very high99 Ų9978.8 Ų78.843%0.43441%0.411SS..SBendtrans-83.357.8177.2-60.8-63.8000111.2V92 L96 G220 M228V92-F224 HydrophobicContact CG1-CE1 3.88Å; V92-F224 HydrophobicContact CG1-CZ 4.46Å; L96-F224 HydrophobicContact CD1-CE2 4.1Å; L96-F224 HydrophobicContact CD1-CZ 4.39Å; L96-F224 HydrophobicContact CD2-CZ 4.19Å; G220-F224 VanDerWaalsContact O-CD2 3.26Å; G220-F224 WeakPolarHBondContact O-CD2 3.46Å; G220-F224 PolarHBondContact O-N 2.76Å; F224-M228 HydrophobicContact CD1-CG 4.2Å
225S92.7Very high95.5Very high49 Ų4975 Ų7534%0.34339%0.393SS..  trans-82.3178.418070.10000112.8E222 M223 H227 M228 D229E222-S225 WeakPolarHBondContact O-CB 3.46Å; M223-S225 PolarHBondContact O-N 2.85Å; S225-H227 PolarHBondContact O-N 2.89Å; S225-H227 VanDerWaalsContact O-N 3.09Å; S225-H227 PolarHBondContact OG-N 2.72Å; S225-M228 WeakPolarHBondContact O-CA 3.14Å; S225-M228 VanDerWaalsContact O-CB 3.27Å; S225-M228 WeakPolarHBondContact O-CB 3.33Å; S225-M228 PolarHBondContact O-N 3.45Å; S225-D229 PolarHBondContact O-N 3.14Å
226K89.1Confident95.6Very high182 Ų18274.6 Ų74.679%0.79140%0.398SS*.Hα-helixtrans-55.8-26.5173.4-66.7-173.1177.7-175.70114.2M228 D229 S230K226-M228 VanDerWaalsContact C-N 3.32Å; K226-D229 PolarHBondContact O-N 2.92Å; K226-S230 PolarHBondContact O-N 3.25Å
227H91.6Very high95.5Very high118 Ų11878.7 Ų78.755%0.54642%0.421SS..Hα-helixtrans-64.2-41.8173.9177.5-82.8000110.6Y88 S225 S230 F231Y88-H227 PolarHBondContact OH-CE1 2.88Å; S225-H227 PolarHBondContact O-N 2.89Å; S225-H227 VanDerWaalsContact O-N 3.09Å; S225-H227 PolarHBondContact OG-N 2.72Å; H227-S230 PolarHBondContact O-N 3.23Å; H227-S230 PolarHBondContact O-OG 3.46Å; H227-F231 PolarHBondContact O-N 3.42Å; H227-F231 VanDerWaalsContact O-N 3.07Å
228M94.4Very high95.5Very high13 Ų1374.5 Ų74.56%0.06440%0.404CS..Hα-helixtrans-62.5-44174.5-17157.263.400111.2Y88 V92 F224 S225 K226 S230 F231 L232Y88-M228 HydrophobicContact CE1-CE 4.02Å; Y88-M228 HydrophobicContact CE1-SD 4.24Å; V92-M228 HydrophobicContact CB-CE 4.28Å; V92-M228 HydrophobicContact CG1-CE 3.85Å; V92-M228 HydrophobicContact CG2-CE 3.37Å; V92-M228 HydrophobicContact CG2-SD 4.43Å; F224-M228 HydrophobicContact CD1-CG 4.2Å; S225-M228 WeakPolarHBondContact O-CA 3.14Å; S225-M228 VanDerWaalsContact O-CB 3.27Å; S225-M228 WeakPolarHBondContact O-CB 3.33Å; S225-M228 PolarHBondContact O-N 3.45Å; K226-M228 VanDerWaalsContact C-N 3.32Å; M228-S230 VanDerWaalsContact C-N 3.27Å; M228-S230 PolarHBondContact O-N 3.1Å; M228-F231 WeakPolarHBondContact O-CB 3.43Å; M228-F231 PolarHBondContact O-N 2.86Å; M228-F231 VanDerWaalsContact O-N 3.13Å; M228-F231 HydrophobicContact SD-CD1 3.85Å; M228-L232 HydrophobicContact CG-CD1 4.11Å; M228-L232 HydrophobicContact CG-CG 4.26Å; M228-L232 WeakPolarHBondContact O-CG 3.33Å; M228-L232 PolarHBondContact O-N 3.05Å; M228-L232 HydrophobicContact SD-CG 4.41Å
229D94.2Very high95.5Very high93 Ų9372.6 Ų72.650%0.49740%0.403SS..Hα-helixtrans-57.8-40.5176.6-68.2-30.1000112.2S225 K226 L232 S233S225-D229 PolarHBondContact O-N 3.14Å; K226-D229 PolarHBondContact O-N 2.92Å; D229-L232 PolarHBondContact O-N 3.33Å; D229-S233 WeakPolarHBondContact O-CB 3.45Å; D229-S233 PolarHBondContact O-N 3.32Å; D229-S233 PolarHBondContact O-OG 3.09Å
230S96.3Very high95.5Very high69 Ų6974.2 Ų74.248%0.48341%0.412SS..Hα-helixtrans-66-40.1177.270.40000112.3K226 H227 M228 S233 S234K226-S230 PolarHBondContact O-N 3.25Å; H227-S230 PolarHBondContact O-N 3.23Å; H227-S230 PolarHBondContact O-OG 3.46Å; M228-S230 VanDerWaalsContact C-N 3.27Å; M228-S230 PolarHBondContact O-N 3.1Å; S230-S233 PolarHBondContact O-N 3.01Å; S230-S234 PolarHBondContact O-N 3.39Å
231F96.2Very high95.6Very high38 Ų3876.8 Ų76.817%0.16743%0.428CS..Hα-helixtrans-63.3-49.1173.9167.6-99.7000111.3T85 Y88 F89 H227 M228 S233 S234 V235T85-F231 HydrophobicContact CG2-CZ 4.21Å; Y88-F231 AromaticContact CD1-CD1 3.82Å; Y88-F231 HydrophobicContact CD1-CD1 3.82Å; Y88-F231 AromaticContact CD1-CD2 4Å; Y88-F231 HydrophobicContact CD1-CD2 4Å; Y88-F231 AromaticContact CD1-CE1 3.41Å; Y88-F231 HydrophobicContact CD1-CE1 3.41Å; Y88-F231 VanDerWaalsContact CD1-CE1 3.41Å; Y88-F231 AromaticContact CD1-CE2 3.6Å; Y88-F231 HydrophobicContact CD1-CE2 3.6Å; Y88-F231 HydrophobicContact CD1-CG 4.09Å; Y88-F231 AromaticContact CD1-CZ 3.29Å; Y88-F231 HydrophobicContact CD1-CZ 3.29Å; Y88-F231 AromaticContact CE1-CD1 3.67Å; Y88-F231 HydrophobicContact CE1-CD1 3.67Å; Y88-F231 AromaticContact CE1-CD2 3.99Å; Y88-F231 HydrophobicContact CE1-CD2 3.99Å; Y88-F231 AromaticContact CE1-CE1 3.78Å; Y88-F231 HydrophobicContact CE1-CE1 3.78Å; Y88-F231 HydrophobicContact CE1-CE2 4.09Å; Y88-F231 AromaticContact CE1-CG 3.78Å; Y88-F231 HydrophobicContact CE1-CG 3.78Å; Y88-F231 AromaticContact CE1-CZ 3.99Å; Y88-F231 HydrophobicContact CE1-CZ 3.99Å; Y88-F231 HydrophobicContact CG-CE2 4.08Å; Y88-F231 AromaticContact CG-CZ 4Å; Y88-F231 HydrophobicContact CG-CZ 4Å; F89-F231 HydrophobicContact CD1-CE1 4.49Å; F89-F231 HydrophobicContact CD2-CE1 4.41Å; F89-F231 HydrophobicContact CD2-CZ 4.41Å; F89-F231 HydrophobicContact CE1-CE1 4Å; F89-F231 AromaticContact CE2-CE1 3.9Å; F89-F231 HydrophobicContact CE2-CE1 3.9Å; F89-F231 HydrophobicContact CE2-CZ 4.06Å; F89-F231 AromaticContact CZ-CE1 3.68Å; F89-F231 HydrophobicContact CZ-CE1 3.68Å; F89-F231 HydrophobicContact CZ-CZ 4.31Å; H227-F231 PolarHBondContact O-N 3.42Å; H227-F231 VanDerWaalsContact O-N 3.07Å; M228-F231 WeakPolarHBondContact O-CB 3.43Å; M228-F231 PolarHBondContact O-N 2.86Å; M228-F231 VanDerWaalsContact O-N 3.13Å; M228-F231 HydrophobicContact SD-CD1 3.85Å; F231-S233 VanDerWaalsContact C-N 3.27Å; F231-S233 PolarHBondContact O-N 3.21Å; F231-S234 WeakPolarHBondContact O-CB 2.95Å; F231-S234 PolarHBondContact O-N 2.88Å; F231-S234 VanDerWaalsContact O-N 3.09Å; F231-V235 HydrophobicContact CD1-CG2 4.4Å; F231-V235 HydrophobicContact CD2-CG2 4.28Å; F231-V235 HydrophobicContact CE1-CG2 3.89Å; F231-V235 HydrophobicContact CE2-CG2 3.76Å; F231-V235 HydrophobicContact CZ-CG2 3.54Å; F231-V235 WeakPolarHBondContact O-CG2 3.43Å; F231-V235 PolarHBondContact O-N 3.21Å
232L97.4Very high95.6Very high73 Ų7377.6 Ų77.638%0.38242%0.422SS..Hα-helixtrans-59.9-37.8178.5-68.3175.6000112.1F89 M228 D229 V235 A236F89-L232 HydrophobicContact CE1-CD2 3.75Å; F89-L232 HydrophobicContact CZ-CD2 3.8Å; M228-L232 HydrophobicContact CG-CD1 4.11Å; M228-L232 HydrophobicContact CG-CG 4.26Å; M228-L232 WeakPolarHBondContact O-CG 3.33Å; M228-L232 PolarHBondContact O-N 3.05Å; M228-L232 HydrophobicContact SD-CG 4.41Å; D229-L232 PolarHBondContact O-N 3.33Å; L232-V235 PolarHBondContact O-N 3.23Å; L232-A236 WeakPolarHBondContact O-CB 3.43Å; L232-A236 PolarHBondContact O-N 3.32Å
233S97.6Very high95.7Very high70 Ų7075.4 Ų75.449%0.4941%0.412SS..Hα-helixtrans-64.1-44.7174.7-55.90000111.2D229 S230 F231 V235 A236 D237D229-S233 WeakPolarHBondContact O-CB 3.45Å; D229-S233 PolarHBondContact O-N 3.32Å; D229-S233 PolarHBondContact O-OG 3.09Å; S230-S233 PolarHBondContact O-N 3.01Å; F231-S233 VanDerWaalsContact C-N 3.27Å; F231-S233 PolarHBondContact O-N 3.21Å; S233-V235 VanDerWaalsContact C-N 3.32Å; S233-V235 PolarHBondContact O-N 3.06Å; S233-A236 WeakPolarHBondContact O-CB 3.29Å; S233-A236 PolarHBondContact O-N 2.91Å; S233-D237 PolarHBondContact O-N 3.22Å
234S97Very high95.9Very high72 Ų7277.6 Ų77.650%0.50343%0.427SS..Hα-helixtrans-61.8-38.8175.8-172.50000112.6S230 F231 D237 M238S230-S234 PolarHBondContact O-N 3.39Å; F231-S234 WeakPolarHBondContact O-CB 2.95Å; F231-S234 PolarHBondContact O-N 2.88Å; F231-S234 VanDerWaalsContact O-N 3.09Å; S234-D237 PolarHBondContact O-N 3.07Å; S234-M238 PolarHBondContact O-N 3.43Å; S234-M238 VanDerWaalsContact O-N 3.07Å
235V97.4Very high96.1Very high23 Ų2379 Ų7914%0.13944%0.435CS..Hα-helixtrans-67.8-39.6175.2174.70000110.7T85 F89 F231 L232 S233 D237 M238 V239T85-V235 HydrophobicContact CG2-CG1 4.19Å; T85-V235 HydrophobicContact CG2-CG2 3.85Å; F89-V235 HydrophobicContact CE2-CG1 4.34Å; F89-V235 HydrophobicContact CE2-CG2 4.44Å; F231-V235 HydrophobicContact CD1-CG2 4.4Å; F231-V235 HydrophobicContact CD2-CG2 4.28Å; F231-V235 HydrophobicContact CE1-CG2 3.89Å; F231-V235 HydrophobicContact CE2-CG2 3.76Å; F231-V235 HydrophobicContact CZ-CG2 3.54Å; F231-V235 WeakPolarHBondContact O-CG2 3.43Å; F231-V235 PolarHBondContact O-N 3.21Å; L232-V235 PolarHBondContact O-N 3.23Å; S233-V235 VanDerWaalsContact C-N 3.32Å; S233-V235 PolarHBondContact O-N 3.06Å; V235-D237 VanDerWaalsContact C-N 3.34Å; V235-D237 PolarHBondContact O-N 3.48Å; V235-M238 WeakPolarHBondContact O-CB 3.37Å; V235-M238 PolarHBondContact O-N 3.43Å; V235-V239 WeakPolarHBondContact O-CG2 3.33Å; V235-V239 PolarHBondContact O-N 3.36Å
236A97.9Very high96.3Very high56 Ų5681.5 Ų81.546%0.46344%0.444SS..Hα-helixtrans-63-40.817600000112L232 S233 V239 Q240L232-A236 WeakPolarHBondContact O-CB 3.43Å; L232-A236 PolarHBondContact O-N 3.32Å; S233-A236 WeakPolarHBondContact O-CB 3.29Å; S233-A236 PolarHBondContact O-N 2.91Å; A236-V239 PolarHBondContact O-N 2.9Å; A236-Q240 WeakPolarHBondContact O-CB 3.26Å; A236-Q240 PolarHBondContact O-N 2.75Å
237D97.7Very high96.8Very high117 Ų11778 Ų7863%0.62643%0.431SS*.Hα-helixtrans-63.6-41.4174.8-69.5-23.6000111.6S233 S234 V235 Q240 S241S233-D237 PolarHBondContact O-N 3.22Å; S234-D237 PolarHBondContact O-N 3.07Å; V235-D237 VanDerWaalsContact C-N 3.34Å; V235-D237 PolarHBondContact O-N 3.48Å; D237-Q240 PolarHBondContact O-N 3.34Å; D237-S241 PolarHBondContact O-N 3Å
238M96.8Very high97.1Very high50 Ų5075.4 Ų75.425%0.24643%0.429CS..Hα-helixtrans-59.5-48.8173.6179.8-168.4-7400111.4E81 S234 V235 Q240 S241 I242E81-M238 HydrophobicContact CB-CE 4.18Å; S234-M238 PolarHBondContact O-N 3.43Å; S234-M238 VanDerWaalsContact O-N 3.07Å; V235-M238 WeakPolarHBondContact O-CB 3.37Å; V235-M238 PolarHBondContact O-N 3.43Å; M238-Q240 VanDerWaalsContact C-N 3.3Å; M238-Q240 PolarHBondContact O-N 3.1Å; M238-S241 WeakPolarHBondContact O-CB 3.5Å; M238-S241 PolarHBondContact O-N 3.03Å; M238-I242 HydrophobicContact CG-CD1 4.2Å; M238-I242 WeakPolarHBondContact O-CG1 3.46Å; M238-I242 PolarHBondContact O-N 3.19Å
239V97.5Very high97.2Very high89 Ų8978.9 Ų78.954%0.53945%0.445SS..Hα-helixtrans-60.2-41176.8171.10000111.2V235 A236 I242 Q243V235-V239 WeakPolarHBondContact O-CG2 3.33Å; V235-V239 PolarHBondContact O-N 3.36Å; A236-V239 PolarHBondContact O-N 2.9Å; V239-I242 PolarHBondContact O-N 3.26Å; V239-Q243 WeakPolarHBondContact O-CB 3.41Å; V239-Q243 PolarHBondContact O-N 3.06Å
240Q97.7Very high97.4Very high113 Ų11376.6 Ų76.653%0.52844%0.439SS..Hα-helixtrans-65.2-38.7177.1-174.760.251.300111.9A236 D237 M238 Q243 V244A236-Q240 WeakPolarHBondContact O-CB 3.26Å; A236-Q240 PolarHBondContact O-N 2.75Å; D237-Q240 PolarHBondContact O-N 3.34Å; M238-Q240 VanDerWaalsContact C-N 3.3Å; M238-Q240 PolarHBondContact O-N 3.1Å; Q240-Q243 PolarHBondContact O-N 3.49Å; Q240-V244 WeakPolarHBondContact O-CG2 3.43Å; Q240-V244 PolarHBondContact O-N 3.02Å
241S97.3Very high97.5Very high63 Ų6377.6 Ų77.644%0.44144%0.436SS..Hα-helixtrans-60.8-48.8174.5-165.60000111.2D237 M238 Q243 V244 E245D237-S241 PolarHBondContact O-N 3Å; M238-S241 WeakPolarHBondContact O-CB 3.5Å; M238-S241 PolarHBondContact O-N 3.03Å; S241-Q243 VanDerWaalsContact C-N 3.28Å; S241-Q243 PolarHBondContact O-N 3.14Å; S241-V244 PolarHBondContact O-N 3.43Å; S241-E245 PolarHBondContact O-N 3.48Å
242I96.4Very high97.6Very high86 Ų8681.4 Ų81.444%0.44145%0.453SS..Hα-helixtrans-58.7-41.9177-65.7166.1000110.7M238 V239 E245 L246M238-I242 HydrophobicContact CG-CD1 4.2Å; M238-I242 WeakPolarHBondContact O-CG1 3.46Å; M238-I242 PolarHBondContact O-N 3.19Å; V239-I242 PolarHBondContact O-N 3.26Å; I242-E245 PolarHBondContact O-N 3.45Å; I242-L246 VanDerWaalsContact O-CB 3.32Å; I242-L246 WeakPolarHBondContact O-CB 3.48Å; I242-L246 PolarHBondContact O-N 2.83Å
243Q97.8Very high97.6Very high76 Ų7683.1 Ų83.136%0.35546%0.46SS..Hα-helixtrans-63.6-41.6178.6-177.36039.600112.4V239 Q240 S241 L246 E247V239-Q243 WeakPolarHBondContact O-CB 3.41Å; V239-Q243 PolarHBondContact O-N 3.06Å; Q240-Q243 PolarHBondContact O-N 3.49Å; S241-Q243 VanDerWaalsContact C-N 3.28Å; S241-Q243 PolarHBondContact O-N 3.14Å; Q243-L246 WeakPolarHBondContact O-CB 3.49Å; Q243-L246 PolarHBondContact O-N 3.44Å; Q243-E247 PolarHBondContact NE2-OE1 2.85Å; Q243-E247 WeakPolarHBondContact O-CG 3.35Å; Q243-E247 PolarHBondContact O-N 3.16Å
244V98.4Very high97.5Very high80 Ų8085 Ų8549%0.48546%0.456SS..Hα-helixtrans-66.2-42.2177.6170.70000111.1Q240 S241 E247 A248Q240-V244 WeakPolarHBondContact O-CG2 3.43Å; Q240-V244 PolarHBondContact O-N 3.02Å; S241-V244 PolarHBondContact O-N 3.43Å; V244-E247 PolarHBondContact O-N 2.88Å; V244-A248 WeakPolarHBondContact O-CB 3.38Å; V244-A248 PolarHBondContact O-N 3.43Å
245E97.2Very high97.6Very high128 Ų12884.8 Ų84.860%0.59845%0.452SS*.Hα-helixtrans-63.7-42175.9-71.9179.7-167.800111.9S241 I242 E247 A248 E249S241-E245 PolarHBondContact O-N 3.48Å; I242-E245 PolarHBondContact O-N 3.45Å; E245-E247 PolarHBondContact O-N 3.36Å; E245-A248 PolarHBondContact O-N 3.5Å; E245-E249 PolarHBondContact O-N 2.9Å
246L97.5Very high97.5Very high102 Ų10285.8 Ų85.853%0.53446%0.46SS..Hα-helixtrans-57.5-48.2174.5175.367.2000111.4I242 Q243 E249 A250I242-L246 VanDerWaalsContact O-CB 3.32Å; I242-L246 WeakPolarHBondContact O-CB 3.48Å; I242-L246 PolarHBondContact O-N 2.83Å; Q243-L246 WeakPolarHBondContact O-CB 3.49Å; Q243-L246 PolarHBondContact O-N 3.44Å; L246-E249 PolarHBondContact O-N 3.39Å; L246-A250 WeakPolarHBondContact O-CB 3.28Å; L246-A250 PolarHBondContact O-N 3.49Å
247E98.2Very high97.5Very high110 Ų11088.9 Ų88.951%0.51447%0.465SS..Hα-helixtrans-64.5-42.4179.7-74.7172-165.500112.3Q243 V244 E245 A250 E251Q243-E247 PolarHBondContact NE2-OE1 2.85Å; Q243-E247 WeakPolarHBondContact O-CG 3.35Å; Q243-E247 PolarHBondContact O-N 3.16Å; V244-E247 PolarHBondContact O-N 2.88Å; E245-E247 PolarHBondContact O-N 3.36Å; E247-A250 PolarHBondContact O-N 3.46Å; E247-E251 PolarHBondContact O-N 2.95Å
248A98.2Very high97.4Very high63 Ų6389 Ų8952%0.52146%0.462SS..Hα-helixtrans-63.1-45.6177.900000111.9V244 E245 K252V244-A248 WeakPolarHBondContact O-CB 3.38Å; V244-A248 PolarHBondContact O-N 3.43Å; E245-A248 PolarHBondContact O-N 3.5Å; A248-K252 WeakPolarHBondContact O-CB 3.47Å; A248-K252 PolarHBondContact O-N 3.3Å; A248-K252 VanDerWaalsContact O-N 3.09Å
249E97.9Very high97.4Very high85 Ų8592.9 Ų92.940%0.39748%0.48SS..Hα-helixtrans-71.7-36.2178.4-16858.7-147.600111.5E245 L246 E251 K252 M253E245-E249 PolarHBondContact O-N 2.9Å; L246-E249 PolarHBondContact O-N 3.39Å; E249-E251 VanDerWaalsContact C-N 3.34Å; E249-E251 PolarHBondContact O-N 3.42Å; E249-K252 PolarHBondContact O-N 3.4Å; E249-K252 IonicContact OE1-NZ 3.4Å; E249-K252 PolarHBondContact OE1-NZ 2.94Å; E249-K252 IonicContact OE2-NZ 3.27Å; E249-K252 PolarHBondContact OE2-NZ 3.29Å; E249-M253 HydrophobicContact CG-CE 4.3Å; E249-M253 HydrophobicContact CG-CG 4.49Å; E249-M253 WeakPolarHBondContact O-CB 3.49Å; E249-M253 WeakPolarHBondContact O-CG 3.2Å; E249-M253 PolarHBondContact O-N 2.8Å
250A98Very high97.2Very high45 Ų4595.8 Ų95.837%0.37249%0.485SS..Hα-helixtrans-59.9-43.7174.400000111.9L246 E247 M253 R254L246-A250 WeakPolarHBondContact O-CB 3.28Å; L246-A250 PolarHBondContact O-N 3.49Å; E247-A250 PolarHBondContact O-N 3.46Å; A250-M253 PolarHBondContact O-N 2.99Å; A250-R254 WeakPolarHBondContact O-CB 3.22Å; A250-R254 PolarHBondContact O-N 3.48Å
251E97.6Very high97.1Very high91 Ų9196 Ų9643%0.42549%0.489SS..Hα-helixtrans-67.6-42.1177.4179.955.6-161.200111.8E247 E249 M253 R254 V255E247-E251 PolarHBondContact O-N 2.95Å; E249-E251 VanDerWaalsContact C-N 3.34Å; E249-E251 PolarHBondContact O-N 3.42Å; E251-M253 VanDerWaalsContact C-N 3.33Å; E251-M253 PolarHBondContact O-N 3.37Å; E251-R254 WeakPolarHBondContact O-CB 3.3Å; E251-R254 PolarHBondContact O-N 3.38Å; E251-R254 VanDerWaalsContact O-N 3.16Å; E251-R254 IonicContact OE1-CZ 3.09Å; E251-R254 IonicContact OE1-NE 3.42Å; E251-R254 PolarHBondContact OE1-NE 3.02Å; E251-R254 IonicContact OE1-NH2 2.83Å; E251-R254 PolarHBondContact OE1-NH2 3.04Å; E251-R254 IonicContact OE2-CZ 2.79Å; E251-R254 IonicContact OE2-NE 2.66Å; E251-R254 PolarHBondContact OE2-NE 3.19Å; E251-R254 IonicContact OE2-NH2 3.43Å; E251-V255 WeakPolarHBondContact O-CG2 3.44Å; E251-V255 PolarHBondContact O-N 3.35Å
252K97.7Very high97Very high118 Ų11897.3 Ų97.351%0.51350%0.499SS..Hα-helixtrans-59.6-43.2174.5175.9170.9151.6-109.90112A248 E249 S256A248-K252 WeakPolarHBondContact O-CB 3.47Å; A248-K252 PolarHBondContact O-N 3.3Å; A248-K252 VanDerWaalsContact O-N 3.09Å; E249-K252 PolarHBondContact O-N 3.4Å; E249-K252 IonicContact OE1-NZ 3.4Å; E249-K252 PolarHBondContact OE1-NZ 2.94Å; E249-K252 IonicContact OE2-NZ 3.27Å; E249-K252 PolarHBondContact OE2-NZ 3.29Å; K252-S256 WeakPolarHBondContact O-CB 3.25Å; K252-S256 PolarHBondContact O-N 2.96Å; K252-S256 PolarHBondContact O-OG 3.39Å
253M97.3Very high96.9Very high109 Ų10996.2 Ų96.254%0.53750%0.496SS..Hα-helixtrans-64.3-40.4174.3-74.3-169.9-66.500111.7E249 A250 E251 S256 Q257E249-M253 HydrophobicContact CG-CE 4.3Å; E249-M253 HydrophobicContact CG-CG 4.49Å; E249-M253 WeakPolarHBondContact O-CB 3.49Å; E249-M253 WeakPolarHBondContact O-CG 3.2Å; E249-M253 PolarHBondContact O-N 2.8Å; A250-M253 PolarHBondContact O-N 2.99Å; E251-M253 VanDerWaalsContact C-N 3.33Å; E251-M253 PolarHBondContact O-N 3.37Å; M253-S256 PolarHBondContact O-N 3Å; M253-Q257 VanDerWaalsContact O-CB 3.29Å; M253-Q257 WeakPolarHBondContact O-CB 3.29Å; M253-Q257 PolarHBondContact O-N 3.02Å
254R97.3Very high96.7Very high108 Ų10897.7 Ų97.741%0.40851%0.506SS..Hα-helixtrans-62.2-44.9178-168.1-161.367.268.91.6111.9A250 E251 Q257 Q258A250-R254 WeakPolarHBondContact O-CB 3.22Å; A250-R254 PolarHBondContact O-N 3.48Å; E251-R254 WeakPolarHBondContact O-CB 3.3Å; E251-R254 PolarHBondContact O-N 3.38Å; E251-R254 VanDerWaalsContact O-N 3.16Å; E251-R254 IonicContact OE1-CZ 3.09Å; E251-R254 IonicContact OE1-NE 3.42Å; E251-R254 PolarHBondContact OE1-NE 3.02Å; E251-R254 IonicContact OE1-NH2 2.83Å; E251-R254 PolarHBondContact OE1-NH2 3.04Å; E251-R254 IonicContact OE2-CZ 2.79Å; E251-R254 IonicContact OE2-NE 2.66Å; E251-R254 PolarHBondContact OE2-NE 3.19Å; E251-R254 IonicContact OE2-NH2 3.43Å; R254-Q257 PolarHBondContact O-N 3.17Å; R254-Q258 PolarHBondContact O-N 2.9Å
255V97.5Very high96.4Very high68 Ų68101.1 Ų101.141%0.41252%0.517SS..Hα-helixtrans-64.7-46176.6173.90000110.7E251 Q257 Q258 E259E251-V255 WeakPolarHBondContact O-CG2 3.44Å; E251-V255 PolarHBondContact O-N 3.35Å; V255-Q257 VanDerWaalsContact C-N 3.3Å; V255-Q257 PolarHBondContact O-N 2.9Å; V255-Q258 WeakPolarHBondContact O-CB 3.42Å; V255-Q258 PolarHBondContact O-N 3.36Å; V255-Q258 VanDerWaalsContact O-N 3.14Å; V255-E259 PolarHBondContact O-N 3.49Å
256S96.6Very high96Very high44 Ų4497.5 Ų97.531%0.30851%0.506SS..Hα-helixtrans-60.3-41.5177.5-54.80000111.6K252 M253 Q258 E259 F260K252-S256 WeakPolarHBondContact O-CB 3.25Å; K252-S256 PolarHBondContact O-N 2.96Å; K252-S256 PolarHBondContact O-OG 3.39Å; M253-S256 PolarHBondContact O-N 3Å; S256-Q258 PolarHBondContact O-N 3.07Å; S256-E259 PolarHBondContact O-N 3.35Å; S256-F260 WeakPolarHBondContact O-CD2 3.49Å; S256-F260 WeakPolarHBondContact O-CG 3.32Å; S256-F260 PolarHBondContact O-N 3.18Å
257Q96.4Very high95.6Very high122 Ų12297.4 Ų97.457%0.5751%0.509SS*.Hα-helixtrans-60.7-45175.1-176.9-176.937.400111.3M253 R254 V255 E259 F260 L261M253-Q257 VanDerWaalsContact O-CB 3.29Å; M253-Q257 WeakPolarHBondContact O-CB 3.29Å; M253-Q257 PolarHBondContact O-N 3.02Å; R254-Q257 PolarHBondContact O-N 3.17Å; V255-Q257 VanDerWaalsContact C-N 3.3Å; V255-Q257 PolarHBondContact O-N 2.9Å; Q257-E259 VanDerWaalsContact C-N 3.33Å; Q257-E259 PolarHBondContact O-N 3.39Å; Q257-F260 PolarHBondContact O-N 3.3Å; Q257-L261 HydrophobicContact CG-CD1 3.94Å; Q257-L261 WeakPolarHBondContact O-CB 3.4Å; Q257-L261 VanDerWaalsContact O-CG 3.25Å; Q257-L261 WeakPolarHBondContact O-CG 3.45Å; Q257-L261 PolarHBondContact O-N 3.41Å
258Q96.3Very high95.3Very high120 Ų12098.6 Ų98.656%0.56151%0.51SS*.Hα-helixtrans-63-40.2178.1-175.2174.3-200111.8R254 V255 S256 L261 S262R254-Q258 PolarHBondContact O-N 2.9Å; V255-Q258 WeakPolarHBondContact O-CB 3.42Å; V255-Q258 PolarHBondContact O-N 3.36Å; V255-Q258 VanDerWaalsContact O-N 3.14Å; S256-Q258 PolarHBondContact O-N 3.07Å; Q258-L261 PolarHBondContact O-N 2.93Å; Q258-S262 PolarHBondContact O-N 3.05Å
259E96.1Very high95Very high131 Ų13198.6 Ų98.661%0.61250%0.503SS*.Hα-helixtrans-63.3-49.8176-174176.5-174.100111.5V255 S256 Q257 L261 S262V255-E259 PolarHBondContact O-N 3.49Å; S256-E259 PolarHBondContact O-N 3.35Å; Q257-E259 VanDerWaalsContact C-N 3.33Å; Q257-E259 PolarHBondContact O-N 3.39Å; E259-L261 PolarHBondContact O-N 3.09Å; E259-S262 WeakPolarHBondContact O-CB 3.15Å; E259-S262 PolarHBondContact O-N 3.07Å; E259-S262 PolarHBondContact O-OG 2.94Å
260F94.8Very high94.6Very high149 Ų14998.4 Ų98.465%0.65451%0.509SS*.Hα-helixtrans-63.4-27.8178.7-69.5-49.6000114S256 Q257 Y268S256-F260 WeakPolarHBondContact O-CD2 3.49Å; S256-F260 WeakPolarHBondContact O-CG 3.32Å; S256-F260 PolarHBondContact O-N 3.18Å; Q257-F260 PolarHBondContact O-N 3.3Å; F260-Y268 PolarHBondContact O-OH 3.09Å
261L95.3Very high94Very high118 Ų11897.4 Ų97.462%0.61850%0.498SS*.Hα-helixtrans-84.3-9.5176-67.9175.1000113.5Q257 Q258 E259 V263Q257-L261 HydrophobicContact CG-CD1 3.94Å; Q257-L261 WeakPolarHBondContact O-CB 3.4Å; Q257-L261 VanDerWaalsContact O-CG 3.25Å; Q257-L261 WeakPolarHBondContact O-CG 3.45Å; Q257-L261 PolarHBondContact O-N 3.41Å; Q258-L261 PolarHBondContact O-N 2.93Å; E259-L261 PolarHBondContact O-N 3.09Å; L261-V263 VanDerWaalsContact C-N 3.29Å
262S94.6Very high93.5Very high91 Ų9196 Ų9664%0.63650%0.499SS*.THydrogen-bonded Turntrans-85.92.5-179.672.90000114.3Q258 E259Q258-S262 PolarHBondContact O-N 3.05Å; E259-S262 WeakPolarHBondContact O-CB 3.15Å; E259-S262 PolarHBondContact O-N 3.07Å; E259-S262 PolarHBondContact O-OG 2.94Å
263V94.6Very high92.5Very high63 Ų6392.6 Ų92.638%0.38249%0.486SS..SBendtrans-67.5154.6178.8-58.80000111.9L261 V267 Y268L261-V263 VanDerWaalsContact C-N 3.29Å; V263-V267 HydrophobicContact CB-CG2 4.22Å; V263-V267 HydrophobicContact CG2-CB 4.19Å; V263-V267 HydrophobicContact CG2-CG1 4.27Å; V263-V267 HydrophobicContact CG2-CG2 4.33Å; V263-Y268 HydrophobicContact CG2-CE1 4.49Å; V263-Y268 HydrophobicContact CG2-CE2 3.51Å; V263-Y268 WeakPolarHBondContact CG2-OH 3.48Å
264D92.6Very high91.5Very high107 Ų10790.7 Ų90.757%0.57248%0.48SS*.  trans-64.3148.7-178.5-174.6-97.6000112.7S266 V267D264-S266 PolarHBondContact O-N 3.07Å; D264-S266 VanDerWaalsContact O-N 3.1Å; D264-S266 WeakPolarHBondContact OD1-CB 3.45Å; D264-S266 PolarHBondContact OD1-N 2.69Å; D264-S266 PolarHBondContact OD1-OG 3.36Å; D264-V267 WeakPolarHBondContact O-CB 3.46Å; D264-V267 PolarHBondContact O-N 2.98Å
265E91.9Very high90.5Very high151 Ų15190.5 Ų90.571%0.70650%0.502SS*.G310 helixtrans-59.3-24.6-179.3-170173.6-173.300112.9V267 Y268 T269E265-V267 PolarHBondContact O-N 2.69Å; E265-Y268 PolarHBondContact O-N 3.29Å; E265-T269 PolarHBondContact O-N 3.4Å; E265-T269 PolarHBondContact O-OG1 3.28Å
266S89.7Confident89.7Confident53 Ų5390.5 Ų90.537%0.37151%0.509SS..G310 helixtrans-59.8-25.3173.9610000114D264 Y268 S272D264-S266 PolarHBondContact O-N 3.07Å; D264-S266 VanDerWaalsContact O-N 3.1Å; D264-S266 WeakPolarHBondContact OD1-CB 3.45Å; D264-S266 PolarHBondContact OD1-N 2.69Å; D264-S266 PolarHBondContact OD1-OG 3.36Å; S266-Y268 VanDerWaalsContact C-N 3.33Å; S266-S272 PolarHBondContact O-OG 3.09Å
267V89.7Confident88.9Confident100 Ų10089.7 Ų89.761%0.60650%0.503SS*.G310 helixtrans-68.4-34.1175.6177.50000111.3V263 D264 E265V263-V267 HydrophobicContact CB-CG2 4.22Å; V263-V267 HydrophobicContact CG2-CB 4.19Å; V263-V267 HydrophobicContact CG2-CG1 4.27Å; V263-V267 HydrophobicContact CG2-CG2 4.33Å; D264-V267 WeakPolarHBondContact O-CB 3.46Å; D264-V267 PolarHBondContact O-N 2.98Å; E265-V267 PolarHBondContact O-N 2.69Å
268Y91.6Very high88.4Confident134 Ų13490.9 Ų90.953%0.52551%0.508SS..THydrogen-bonded Turntrans-93.4-17.7-179-56.2-66.1000113.2F260 V263 E265 S266 P270F260-Y268 PolarHBondContact O-OH 3.09Å; V263-Y268 HydrophobicContact CG2-CE1 4.49Å; V263-Y268 HydrophobicContact CG2-CE2 3.51Å; V263-Y268 WeakPolarHBondContact CG2-OH 3.48Å; E265-Y268 PolarHBondContact O-N 3.29Å; S266-Y268 VanDerWaalsContact C-N 3.33Å; Y268-P270 WeakPolarHBondContact O-CD 3.43Å
269T91.1Very high88.1Confident63 Ų6387 Ų8739%0.38749%0.491SS..SBendtrans-86.8113.5-178.2-58.50000110.6E265 D271 S272E265-T269 PolarHBondContact O-N 3.4Å; E265-T269 PolarHBondContact O-OG1 3.28Å; T269-D271 PolarHBondContact O-N 2.97Å; T269-S272 WeakPolarHBondContact O-CB 3.46Å; T269-S272 PolarHBondContact O-N 3Å; T269-S272 PolarHBondContact O-OG 3.38Å
270P89.6Confident87.8Confident81 Ų8184.4 Ų84.453%0.52648%0.481SS..THydrogen-bonded Turntrans-61.8139.7176.2-19.632.3000110.7Y268 S272Y268-P270 WeakPolarHBondContact O-CD 3.43Å; P270-S272 PolarHBondContact O-N 3.39Å
271D86.8Confident87.6Confident24 Ų2484.3 Ų84.313%0.12848%0.476CS..THydrogen-bonded Turntrans63.526.3176.2-143.231.1000113.6T269 D273 V274 Y346 R366T269-D271 PolarHBondContact O-N 2.97Å; D271-D273 PolarHBondContact O-N 3.06Å; D271-V274 WeakPolarHBondContact O-CB 3.41Å; D271-V274 PolarHBondContact O-N 2.96Å; D271-Y346 PolarHBondContact OD1-OH 2.67Å; D271-Y346 PolarHBondContact OD2-OH 2.97Å; D271-R366 PolarHBondContact OD1-N 3.37Å
272S85.1Confident87.3Confident63 Ų6385.1 Ų85.144%0.44148%0.481SS..THydrogen-bonded Turntrans-61.7-27.5178.857.30000113.7S266 T269 P270S266-S272 PolarHBondContact O-OG 3.09Å; T269-S272 WeakPolarHBondContact O-CB 3.46Å; T269-S272 PolarHBondContact O-N 3Å; T269-S272 PolarHBondContact O-OG 3.38Å; P270-S272 PolarHBondContact O-N 3.39Å
273D78.2Confident87Confident45 Ų4582.4 Ų82.424%0.24146%0.46CS..THydrogen-bonded Turntrans-99.618179.969-20.9000113.9D271 A275 A276 P277 Q278D271-D273 PolarHBondContact O-N 3.06Å; D273-A275 PolarHBondContact O-N 3.47Å; D273-A276 CarbonylContact O-C 3.45Å; D273-A276 PolarHBondContact O-N 3.09Å; D273-P277 WeakPolarHBondContact O-CA 3.38Å; D273-P277 WeakPolarHBondContact O-CD 3.44Å; D273-P277 WeakPolarHBondContact OD2-CA 3.37Å; D273-Q278 PolarHBondContact OD2-N 3.09Å
274V76.1Confident86.5Confident69 Ų6983.3 Ų83.342%0.41846%0.462SS..THydrogen-bonded Turntrans-52.8-29.8-174.1700000114.5D271D271-V274 WeakPolarHBondContact O-CB 3.41Å; D271-V274 PolarHBondContact O-N 2.96Å
275A76.1Confident86.4Confident104 Ų10484.3 Ų84.386%0.8646%0.463SS*.THydrogen-bonded Turntrans-74-28.3179.300000113.5D273D273-A275 PolarHBondContact O-N 3.47Å
276A80.4Confident86.4Confident68 Ų6878 Ų7856%0.56243%0.433SS*.SBendtrans-153.666.2-179.800000111.3D273 Q278D273-A276 CarbonylContact O-C 3.45Å; D273-A276 PolarHBondContact O-N 3.09Å; A276-Q278 PolarHBondContact O-N 3.05Å
277P81Confident86.7Confident28 Ų2877.8 Ų77.818%0.18243%0.434CS..  trans-68133.1-172.127.7-35.2000111D273 I279 K367D273-P277 WeakPolarHBondContact O-CA 3.38Å; D273-P277 WeakPolarHBondContact O-CD 3.44Å; D273-P277 WeakPolarHBondContact OD2-CA 3.37Å; P277-I279 HydrophobicContact CB-CD1 4.05Å; P277-I279 HydrophobicContact CB-CG1 3.89Å; P277-I279 HydrophobicContact CG-CD1 3.83Å; P277-I279 HydrophobicContact CG-CG1 4.18Å; P277-I279 PolarHBondContact O-N 2.98Å; P277-K367 HydrophobicContact CB-CB 4.17Å
278Q84.9Confident86.9Confident146 Ų14673.7 Ų73.768%0.68241%0.412SS*.  trans-87.590.3176.5-63.9-61-50.200109.4D273 A276 K367D273-Q278 PolarHBondContact OD2-N 3.09Å; A276-Q278 PolarHBondContact O-N 3.05Å; Q278-K367 WeakPolarHBondContact O-CD 3.28Å; Q278-K367 WeakPolarHBondContact O-CE 3.35Å; Q278-K367 PolarHBondContact O-NZ 3.43Å
279I89.3Confident87.2Confident38 Ų3871.9 Ų71.920%0.19541%0.405CS..  trans-97.9119.3-170.2-57.6176.4000110.6P277 R281 K367 E370 E371P277-I279 HydrophobicContact CB-CD1 4.05Å; P277-I279 HydrophobicContact CB-CG1 3.89Å; P277-I279 HydrophobicContact CG-CD1 3.83Å; P277-I279 HydrophobicContact CG-CG1 4.18Å; P277-I279 PolarHBondContact O-N 2.98Å; I279-R281 HydrophobicContact CG2-CG 4.08Å; I279-R281 PolarHBondContact O-N 3.49Å; I279-K367 HydrophobicContact CG1-CB 4.44Å; I279-K367 HydrophobicContact CG1-CG 4.31Å; I279-E370 HydrophobicContact CD1-CB 3.89Å; I279-E370 HydrophobicContact CD1-CG 4.04Å; I279-E370 WeakPolarHBondContact CD1-OE2 3.41Å; I279-E370 HydrophobicContact CG2-CB 3.83Å; I279-E371 HydrophobicContact CG2-CG 3.91Å
280N89.7Confident87.5Confident77 Ų7769 Ų6941%0.41239%0.387SS..  trans-86.8105.7172.9-171-9.6000111.7N282 L283 E371N280-N282 PolarHBondContact OD1-N 3.06Å; N280-L283 HydrophobicContact CB-CD1 4.28Å; N280-L283 HydrophobicContact CB-CD2 4.35Å; N280-L283 HydrophobicContact CB-CG 4.05Å; N280-L283 WeakPolarHBondContact ND2-CD2 3.41Å; N280-E371 PolarHBondContact N-OE1 3.38Å
281R91.5Very high87.9Confident147 Ų14767.1 Ų67.156%0.55537%0.373SS*.THydrogen-bonded Turntrans-84.9-7-178.2-62.1-173.1172.6161.7-1.4114.8I279 E370 C374 N378I279-R281 HydrophobicContact CG2-CG 4.08Å; I279-R281 PolarHBondContact O-N 3.49Å; R281-E370 IonicContact NH2-OE2 3.45Å; R281-C374 HydrophobicContact CB-CB 4.42Å; R281-N378 PolarHBondContact O-ND2 2.93Å
282N88.1Confident88.4Confident135 Ų13566.9 Ų66.972%0.72237%0.371SS*.THydrogen-bonded Turntrans-103.114.2-173.6-61.9-20.1000112.8N280 I284N280-N282 PolarHBondContact OD1-N 3.06Å; N282-I284 PolarHBondContact O-N 3.01Å
283L88.3Confident88.8Confident35 Ų3567.1 Ų67.118%0.18336%0.362CS..  trans-64.3133.1178-66173.2000110.2N280 K286 E371 A375 N378N280-L283 HydrophobicContact CB-CD1 4.28Å; N280-L283 HydrophobicContact CB-CD2 4.35Å; N280-L283 HydrophobicContact CB-CG 4.05Å; N280-L283 WeakPolarHBondContact ND2-CD2 3.41Å; L283-K286 HydrophobicContact CD1-CD 4.23Å; L283-E371 HydrophobicContact CD1-CB 3.95Å; L283-E371 HydrophobicContact CD1-CG 4.11Å; L283-A375 HydrophobicContact CB-CB 3.97Å; L283-A375 WeakPolarHBondContact O-CA 3.41Å; L283-N378 WeakPolarHBondContact O-CB 3.46Å; L283-N378 PolarHBondContact O-ND2 3.03Å
284I85.7Confident89.4Confident82 Ų8267.4 Ų67.442%0.42136%0.364SS..SBendtrans-112.20.5171.658.6170.8000111.6N282 I379N282-I284 PolarHBondContact O-N 3.01Å; I284-I379 WeakPolarHBondContact O-CD1 3.5Å; I284-I379 WeakPolarHBondContact O-CG1 3.48Å
285Q88.7Confident89.8Confident127 Ų12770.6 Ų70.659%0.59337%0.372SS*.  trans-148.8141.9173.663-174.517.200108.8T310Q285-T310 WeakPolarHBondContact CA-OG1 3.42Å
286K93.1Very high89.6Confident20 Ų2069.3 Ų69.39%0.08735%0.354CS..  trans-148.9146.6172.7-167.4166172.6700110.1L283 F309 T310 E368 E371 W372 A375L283-K286 HydrophobicContact CD1-CD 4.23Å; K286-F309 WeakPolarHBondContact O-CA 3.37Å; K286-T310 PolarHBondContact N-OG1 3.16Å; K286-T310 PolarHBondContact O-N 3.22Å; K286-T310 PolarHBondContact O-OG1 3.49Å; K286-E368 WeakPolarHBondContact CE-OE2 3.43Å; K286-E368 IonicContact NZ-OE1 2.8Å; K286-E368 PolarHBondContact NZ-OE1 3.18Å; K286-E368 IonicContact NZ-OE2 3.51Å; K286-E368 PolarHBondContact NZ-OE2 3.36Å; K286-E371 HydrophobicContact CD-CB 3.95Å; K286-E371 IonicContact NZ-OE2 2.7Å; K286-E371 PolarHBondContact NZ-OE2 2.74Å; K286-W372 HydrophobicContact CB-CD2 4.46Å; K286-W372 HydrophobicContact CB-CE3 4.15Å; K286-W372 HydrophobicContact CB-CH2 4.27Å; K286-W372 HydrophobicContact CB-CZ3 4.05Å; K286-W372 HydrophobicContact CD-CB 4.37Å; K286-W372 HydrophobicContact CD-CD2 3.65Å; K286-W372 HydrophobicContact CD-CE3 4.12Å; K286-W372 HydrophobicContact CD-CG 3.76Å; K286-W372 HydrophobicContact CD-CZ2 4.48Å; K286-W372 VanDerWaalsContact CE-NE1 3.29Å; K286-W372 HydrophobicContact CG-CD2 3.99Å; K286-W372 HydrophobicContact CG-CE3 4.19Å; K286-W372 HydrophobicContact CG-CH2 4.2Å; K286-W372 HydrophobicContact CG-CZ2 4Å; K286-W372 HydrophobicContact CG-CZ3 4.29Å; K286-A375 HydrophobicContact CB-CB 4.01Å
287A95.6Very high89.1Confident48 Ų4869 Ų6940%0.39736%0.357SS..EExtended strand (participates in β ladder)trans-141.5147.3175.100000109.9Y307 F308 F309A287-Y307 HydrophobicContact CB-CE1 4.25Å; A287-Y307 WeakPolarHBondContact CB-OH 3.4Å; A287-F308 CarbonylContact C-O 3.58Å; A287-F308 VanDerWaalsContact CA-O 3.22Å; A287-F308 WeakPolarHBondContact CA-O 3.49Å; A287-F309 HydrophobicContact CB-CB 3.65Å
288G94.9Very high88.5Confident13 Ų1375.3 Ų75.313%0.13439%0.388CS..EExtended strand (participates in β ladder)trans162.7169.4-176.500000112.8F308G288-F308 PolarHBondContact N-O 2.81Å; G288-F308 PolarHBondContact O-N 2.99Å
289Y97.3Very high87.9Confident97 Ų9774.7 Ų74.738%0.3839%0.394SS..EExtended strand (participates in β ladder)trans-78.8133.7176.8-74-80.5000111.3R305 L306 Y307Y289-R305 HydrophobicContact CD1-CG 4.13Å; Y289-L306 WeakPolarHBondContact CA-O 3.43Å; Y289-Y307 HydrophobicContact CD1-CD2 4.17Å; Y289-Y307 AromaticContact CD2-CD2 3.89Å; Y289-Y307 HydrophobicContact CD2-CD2 3.89Å; Y289-Y307 HydrophobicContact CD2-CE2 4.43Å; Y289-Y307 HydrophobicContact CE1-CD2 4.06Å; Y289-Y307 HydrophobicContact CE1-CG 4.44Å; Y289-Y307 AromaticContact CE2-CD2 3.75Å; Y289-Y307 HydrophobicContact CE2-CD2 3.75Å; Y289-Y307 HydrophobicContact CE2-CE2 4.31Å; Y289-Y307 HydrophobicContact CG-CD2 4.1Å; Y289-Y307 AromaticContact CZ-CD2 3.84Å
290L97.9Very high87.6Confident2 Ų277 Ų771%0.0141%0.41CS..EExtended strand (participates in β ladder)trans-130.5154.9170.3-61.6170.3000109.3L306 F308 F348 L361 Q362 A363 W372L290-L306 PolarHBondContact N-O 3.2Å; L290-L306 PolarHBondContact O-N 3.46Å; L290-F308 HydrophobicContact CB-CD2 3.59Å; L290-F308 HydrophobicContact CB-CE2 3.89Å; L290-F308 HydrophobicContact CB-CG 4.42Å; L290-F308 HydrophobicContact CD1-CB 4.04Å; L290-F308 HydrophobicContact CD1-CD2 4.04Å; L290-F308 HydrophobicContact CD1-CG 4.04Å; L290-F308 HydrophobicContact CG-CD2 4.12Å; L290-F348 HydrophobicContact CD1-CE1 4.38Å; L290-F348 HydrophobicContact CD1-CZ 3.81Å; L290-F348 HydrophobicContact CD2-CE1 4.1Å; L290-F348 HydrophobicContact CD2-CZ 4.35Å; L290-L361 HydrophobicContact CB-CD2 4.2Å; L290-L361 HydrophobicContact CD1-CB 4.24Å; L290-L361 HydrophobicContact CD1-CD1 3.99Å; L290-L361 HydrophobicContact CD1-CD2 4.31Å; L290-L361 HydrophobicContact CD1-CG 4.41Å; L290-Q362 WeakPolarHBondContact CA-O 3.49Å; L290-Q362 WeakPolarHBondContact CD2-O 3.29Å; L290-A363 HydrophobicContact CD2-CB 3.87Å; L290-W372 HydrophobicContact CD1-CD2 3.95Å; L290-W372 HydrophobicContact CD1-CE3 4.29Å; L290-W372 HydrophobicContact CD1-CG 4.41Å; L290-W372 HydrophobicContact CD1-CH2 4.34Å; L290-W372 HydrophobicContact CD1-CZ2 4Å; L290-W372 HydrophobicContact CD1-CZ3 4.48Å; L290-W372 HydrophobicContact CD2-CG 4.35Å; L290-W372 HydrophobicContact CG-CZ2 4.24Å
291N97.6Very high87.6Confident42 Ų4275.4 Ų75.423%0.22540%0.403CS..EExtended strand (participates in β ladder)trans-92119.7168-50.6-44000109.4W303 E304 R305 L361 Q362N291-W303 HydrophobicContact CB-CB 4.5Å; N291-W303 HydrophobicContact CB-CE3 3.81Å; N291-W303 WeakPolarHBondContact O-CZ3 3.31Å; N291-E304 CarbonylContact C-O 3.5Å; N291-E304 VanDerWaalsContact CA-O 3.3Å; N291-E304 WeakPolarHBondContact CA-O 3.41Å; N291-R305 WeakPolarHBondContact OD1-CA 3.2Å; N291-R305 VanDerWaalsContact OD1-CB 3.26Å; N291-R305 WeakPolarHBondContact OD1-CB 3.46Å; N291-R305 WeakPolarHBondContact OD1-CG 3.3Å; N291-L361 CarbonylContact O-C 3.5Å; N291-L361 WeakPolarHBondContact O-CA 3.39Å; N291-Q362 HydrophobicContact CB-CB 4.11Å; N291-Q362 PolarHBondContact N-O 3.47Å; N291-Q362 PolarHBondContact ND2-OE1 2.72Å; N291-Q362 VanDerWaalsContact ND2-OE1 3.09Å; N291-Q362 PolarHBondContact O-N 3.05Å
292L96.1Very high87.6Confident18 Ų1871.8 Ų71.89%0.09440%0.398CS..EExtended strand (participates in β ladder)trans-86.2129.6174179.164.1000110.2W303 E304 L306 F308 I359 L361L292-W303 WeakPolarHBondContact O-CA 3.48Å; L292-E304 PolarHBondContact N-O 2.92Å; L292-E304 PolarHBondContact O-N 3.13Å; L292-L306 HydrophobicContact CB-CD1 4.35Å; L292-L306 HydrophobicContact CD2-CD1 4.13Å; L292-F308 HydrophobicContact CB-CE2 4.44Å; L292-F308 HydrophobicContact CB-CZ 4.01Å; L292-F308 HydrophobicContact CD2-CZ 4.43Å; L292-I359 HydrophobicContact CD1-CB 4.46Å; L292-L361 HydrophobicContact CB-CD2 4.15Å; L292-L361 HydrophobicContact CD1-CD2 3.75Å
293R94.5Very high87.9Confident68 Ų6867.3 Ų67.326%0.25737%0.371SS..EExtended strand (participates in β ladder)trans-82.8117.4172.5-170.1-175.8-177.8-146.16.2110.4W303 C341 E342 I360R293-W303 HydrophobicContact CB-CD2 4.07Å; R293-W303 HydrophobicContact CB-CE3 3.94Å; R293-W303 HydrophobicContact CB-CH2 3.79Å; R293-W303 HydrophobicContact CB-CZ2 3.88Å; R293-W303 HydrophobicContact CB-CZ3 3.79Å; R293-W303 HydrophobicContact CG-CD2 4.29Å; R293-W303 HydrophobicContact CG-CH2 4.24Å; R293-W303 HydrophobicContact CG-CZ2 3.82Å; R293-C341 VanDerWaalsContact CZ-SG 3.53Å; R293-E342 IonicContact CZ-OE1 2.82Å; R293-E342 VanDerWaalsContact CZ-OE1 3.23Å; R293-E342 IonicContact NE-OE1 3.94Å; R293-E342 PolarHBondContact NE-OE1 3.47Å; R293-E342 IonicContact NH2-OE1 2.92Å; R293-E342 PolarHBondContact NH2-OE1 2.85Å; R293-I360 HydrophobicContact CB-CB 4.05Å; R293-I360 HydrophobicContact CB-CG2 4.36Å; R293-I360 PolarHBondContact N-O 3.15Å
294N90.4Very high88.2Confident51 Ų5169.8 Ų69.827%0.27338%0.381SS..EExtended strand (participates in β ladder)trans-102.8125.5172.1-69-30.9000109.3T301 T302 E304N294-T301 WeakPolarHBondContact O-CA 3.34Å; N294-T302 WeakPolarHBondContact CB-OG1 3.3Å; N294-T302 PolarHBondContact N-O 3.28Å; N294-T302 PolarHBondContact O-N 2.92Å; N294-E304 PolarHBondContact ND2-OE2 3.32Å
295K83.9Confident88.8Confident136 Ų13673.1 Ų73.159%0.59139%0.389SS*.EExtended strand (participates in β ladder)trans-103.4106175.2-172.9176-178-178.60109.2G297 L298 T301K295-G297 WeakPolarHBondContact CE-O 3.44Å; K295-L298 WeakPolarHBondContact CE-O 3.47Å; K295-T301 HydrophobicContact CB-CG2 4.37Å; K295-T301 HydrophobicContact CG-CG2 4.14Å
296T72.4Confident89.1Confident78 Ų7867.6 Ų67.648%0.47936%0.363SS..EExtended strand (participates in β ladder)trans-97.6110.7175.4440000108.9T300T296-T300 PolarHBondContact N-O 2.84Å; T296-T300 VanDerWaalsContact O-O 3.07Å; T296-T300 PolarHBondContact O-OG1 3.01Å; T296-T300 PolarHBondContact OG1-OG1 2.81Å
297G69.3Low89.3Confident60 Ų6070.6 Ų70.662%0.61937%0.374SS*.THydrogen-bonded Turntrans72-161.7-176.600000114.2K295K295-G297 WeakPolarHBondContact CE-O 3.44Å
298L69.6Low89.3Confident161 Ų16168.3 Ų68.384%0.84336%0.355SS*.THydrogen-bonded Turntrans-80-27.2-174.8-100.681.7000114.1K295K295-L298 WeakPolarHBondContact CE-O 3.47Å
299V72.3Confident89.3Confident133 Ų13369.6 Ų69.681%0.80636%0.358SS*.THydrogen-bonded Turntrans-124.6-29.5-164.5-170.50000113.9
300T82.6Confident89Confident87 Ų8765.9 Ų65.953%0.53435%0.345SS..EExtended strand (participates in β ladder)trans-91131.1-176.843.40000112.1T296T296-T300 PolarHBondContact N-O 2.84Å; T296-T300 VanDerWaalsContact O-O 3.07Å; T296-T300 PolarHBondContact O-OG1 3.01Å; T296-T300 PolarHBondContact OG1-OG1 2.81Å
301T89.5Confident88.4Confident44 Ų4468 Ų6827%0.2736%0.355SS..EExtended strand (participates in β ladder)trans-124.4141.7173.555.20000110.4N294 K295 E342N294-T301 WeakPolarHBondContact O-CA 3.34Å; K295-T301 HydrophobicContact CB-CG2 4.37Å; K295-T301 HydrophobicContact CG-CG2 4.14Å; T301-E342 VanDerWaalsContact CB-OE1 3.29Å; T301-E342 WeakPolarHBondContact CB-OE1 3.45Å; T301-E342 WeakPolarHBondContact CG2-OE1 3.25Å; T301-E342 PolarHBondContact OG1-OE1 2.88Å; T301-E342 PolarHBondContact OG1-OE2 3.26Å
302T92.6Very high87.6Confident71 Ų7167.4 Ų67.444%0.43636%0.359SS..EExtended strand (participates in β ladder)trans-127.4153.9175.2580000109.3N294N294-T302 WeakPolarHBondContact CB-OG1 3.3Å; N294-T302 PolarHBondContact N-O 3.28Å; N294-T302 PolarHBondContact O-N 2.92Å
303W94.6Very high87Confident40 Ų4066.8 Ų66.815%0.15236%0.357CS..EExtended strand (participates in β ladder)trans-122.7128.1178.5-71.483.3000109N291 L292 R293 E342 R344 I360 Q362N291-W303 HydrophobicContact CB-CB 4.5Å; N291-W303 HydrophobicContact CB-CE3 3.81Å; N291-W303 WeakPolarHBondContact O-CZ3 3.31Å; L292-W303 WeakPolarHBondContact O-CA 3.48Å; R293-W303 HydrophobicContact CB-CD2 4.07Å; R293-W303 HydrophobicContact CB-CE3 3.94Å; R293-W303 HydrophobicContact CB-CH2 3.79Å; R293-W303 HydrophobicContact CB-CZ2 3.88Å; R293-W303 HydrophobicContact CB-CZ3 3.79Å; R293-W303 HydrophobicContact CG-CD2 4.29Å; R293-W303 HydrophobicContact CG-CH2 4.24Å; R293-W303 HydrophobicContact CG-CZ2 3.82Å; W303-E342 PolarHBondContact NE1-OE2 3Å; W303-R344 VanDerWaalsContact CE2-CD 3.5Å; W303-I360 HydrophobicContact CH2-CG2 3.8Å; W303-I360 HydrophobicContact CZ3-CG2 4.42Å; W303-Q362 HydrophobicContact CE3-CB 4.22Å; W303-Q362 HydrophobicContact CH2-CB 4.3Å; W303-Q362 HydrophobicContact CZ3-CB 3.61Å
304E94.7Very high86.7Confident88 Ų8865.7 Ų65.741%0.41136%0.356SS..EExtended strand (participates in β ladder)trans-122.5123.9-174.5-166.5178.3-178.800110.6N291 L292 N294 L306N291-E304 CarbonylContact C-O 3.5Å; N291-E304 VanDerWaalsContact CA-O 3.3Å; N291-E304 WeakPolarHBondContact CA-O 3.41Å; L292-E304 PolarHBondContact N-O 2.92Å; L292-E304 PolarHBondContact O-N 3.13Å; N294-E304 PolarHBondContact ND2-OE2 3.32Å; E304-L306 HydrophobicContact CB-CD1 4.41Å; E304-L306 HydrophobicContact CB-CG 4.41Å; E304-L306 HydrophobicContact CG-CD1 4.17Å; E304-L306 HydrophobicContact CG-CD2 3.96Å; E304-L306 HydrophobicContact CG-CG 3.92Å; E304-L306 PolarHBondContact O-N 2.86Å
305R96.4Very high86.9Confident152 Ų15263.2 Ų63.257%0.57434%0.343SS*.EExtended strand (participates in β ladder)trans-81.3111.2178.7-170.3177.7-173.8-152.24.7109.7Y289 N291Y289-R305 HydrophobicContact CD1-CG 4.13Å; N291-R305 WeakPolarHBondContact OD1-CA 3.2Å; N291-R305 VanDerWaalsContact OD1-CB 3.26Å; N291-R305 WeakPolarHBondContact OD1-CB 3.46Å; N291-R305 WeakPolarHBondContact OD1-CG 3.3Å
306L96Very high87.3Confident11 Ų1157.8 Ų57.86%0.05832%0.32CS..EExtended strand (participates in β ladder)trans-128.5157.3-177.7-58.1167.9000110.2Y289 L290 L292 E304 F308 C317 P319Y289-L306 WeakPolarHBondContact CA-O 3.43Å; L290-L306 PolarHBondContact N-O 3.2Å; L290-L306 PolarHBondContact O-N 3.46Å; L292-L306 HydrophobicContact CB-CD1 4.35Å; L292-L306 HydrophobicContact CD2-CD1 4.13Å; E304-L306 HydrophobicContact CB-CD1 4.41Å; E304-L306 HydrophobicContact CB-CG 4.41Å; E304-L306 HydrophobicContact CG-CD1 4.17Å; E304-L306 HydrophobicContact CG-CD2 3.96Å; E304-L306 HydrophobicContact CG-CG 3.92Å; E304-L306 PolarHBondContact O-N 2.86Å; L306-F308 HydrophobicContact CB-CD2 4.37Å; L306-F308 HydrophobicContact CB-CE2 3.73Å; L306-F308 HydrophobicContact CB-CZ 4.28Å; L306-F308 WeakPolarHBondContact O-CD2 3.38Å; L306-C317 WeakPolarHBondContact CB-SG 3.39Å; L306-C317 VanDerWaalsContact CD1-SG 3.53Å; L306-P319 HydrophobicContact CD2-CB 3.87Å; L306-P319 HydrophobicContact CD2-CG 4.05Å
307Y96.7Very high88.3Confident82 Ų8254.4 Ų54.432%0.32230%0.299SS..EExtended strand (participates in β ladder)trans-88.3119.7177.1-168.9-101.6000109.6A287 Y289 F309 C317 Q318A287-Y307 HydrophobicContact CB-CE1 4.25Å; A287-Y307 WeakPolarHBondContact CB-OH 3.4Å; Y289-Y307 HydrophobicContact CD1-CD2 4.17Å; Y289-Y307 AromaticContact CD2-CD2 3.89Å; Y289-Y307 HydrophobicContact CD2-CD2 3.89Å; Y289-Y307 HydrophobicContact CD2-CE2 4.43Å; Y289-Y307 HydrophobicContact CE1-CD2 4.06Å; Y289-Y307 HydrophobicContact CE1-CG 4.44Å; Y289-Y307 AromaticContact CE2-CD2 3.75Å; Y289-Y307 HydrophobicContact CE2-CD2 3.75Å; Y289-Y307 HydrophobicContact CE2-CE2 4.31Å; Y289-Y307 HydrophobicContact CG-CD2 4.1Å; Y289-Y307 AromaticContact CZ-CD2 3.84Å; Y307-F309 HydrophobicContact CD1-CD1 4.11Å; Y307-F309 HydrophobicContact CE1-CD1 4.27Å; Y307-C317 CarbonylContact O-C 3.57Å; Y307-C317 VanDerWaalsContact O-CA 3.31Å; Y307-C317 WeakPolarHBondContact O-CA 3.47Å; Y307-Q318 WeakPolarHBondContact CB-O 3.4Å; Y307-Q318 PolarHBondContact N-O 3.41Å; Y307-Q318 PolarHBondContact O-N 2.95Å
308F96.3Very high89.4Confident0 Ų054.3 Ų54.30%028%0.283CS..EExtended strand (participates in β ladder)trans-107.6146.9179.6-72-95.6000110.5A287 G288 L290 L292 L306 L315 M316 C317 I328 L361 W372A287-F308 CarbonylContact C-O 3.58Å; A287-F308 VanDerWaalsContact CA-O 3.22Å; A287-F308 WeakPolarHBondContact CA-O 3.49Å; G288-F308 PolarHBondContact N-O 2.81Å; G288-F308 PolarHBondContact O-N 2.99Å; L290-F308 HydrophobicContact CB-CD2 3.59Å; L290-F308 HydrophobicContact CB-CE2 3.89Å; L290-F308 HydrophobicContact CB-CG 4.42Å; L290-F308 HydrophobicContact CD1-CB 4.04Å; L290-F308 HydrophobicContact CD1-CD2 4.04Å; L290-F308 HydrophobicContact CD1-CG 4.04Å; L290-F308 HydrophobicContact CG-CD2 4.12Å; L292-F308 HydrophobicContact CB-CE2 4.44Å; L292-F308 HydrophobicContact CB-CZ 4.01Å; L292-F308 HydrophobicContact CD2-CZ 4.43Å; L306-F308 HydrophobicContact CB-CD2 4.37Å; L306-F308 HydrophobicContact CB-CE2 3.73Å; L306-F308 HydrophobicContact CB-CZ 4.28Å; L306-F308 WeakPolarHBondContact O-CD2 3.38Å; F308-L315 HydrophobicContact CB-CD1 4.28Å; F308-L315 HydrophobicContact CD1-CD1 4.1Å; F308-L315 HydrophobicContact CD1-CD2 4.13Å; F308-L315 HydrophobicContact CD1-CG 4.04Å; F308-L315 HydrophobicContact CE1-CD2 4.48Å; F308-M316 VanDerWaalsContact CA-O 3.32Å; F308-M316 WeakPolarHBondContact CA-O 3.37Å; F308-C317 HydrophobicContact CD1-CB 3.93Å; F308-C317 HydrophobicContact CE1-CB 3.71Å; F308-C317 HydrophobicContact CZ-CB 4.17Å; F308-I328 HydrophobicContact CE1-CG1 4.13Å; F308-L361 HydrophobicContact CD1-CD2 4.49Å; F308-L361 HydrophobicContact CD2-CD2 4.48Å; F308-L361 HydrophobicContact CE1-CD2 3.85Å; F308-L361 HydrophobicContact CE2-CD2 3.83Å; F308-L361 HydrophobicContact CZ-CD2 3.5Å; F308-W372 HydrophobicContact CB-CH2 3.86Å; F308-W372 HydrophobicContact CB-CZ2 4.33Å
309F95.5Very high90.4Very high41 Ų4149.3 Ų49.318%0.1826%0.26CS..EExtended strand (participates in β ladder)trans-152148.1172.560.6-82.7000110.8K286 A287 Y307 Q311 M316 Q318K286-F309 WeakPolarHBondContact O-CA 3.37Å; A287-F309 HydrophobicContact CB-CB 3.65Å; Y307-F309 HydrophobicContact CD1-CD1 4.11Å; Y307-F309 HydrophobicContact CE1-CD1 4.27Å; F309-Q311 HydrophobicContact CD2-CB 4.2Å; F309-Q311 HydrophobicContact CE2-CB 4.21Å; F309-M316 HydrophobicContact CD1-CB 4.03Å; F309-M316 HydrophobicContact CD2-CB 3.85Å; F309-M316 HydrophobicContact CD2-CG 4.15Å; F309-M316 HydrophobicContact CE1-CB 3.65Å; F309-M316 HydrophobicContact CE2-CB 3.46Å; F309-M316 VanDerWaalsContact CE2-CB 3.46Å; F309-M316 HydrophobicContact CE2-CG 3.65Å; F309-M316 HydrophobicContact CG-CB 4.12Å; F309-M316 HydrophobicContact CZ-CB 3.35Å; F309-M316 HydrophobicContact CZ-CG 3.97Å; F309-M316 PolarHBondContact N-O 2.97Å; F309-M316 WeakPolarHBondContact O-CB 3.42Å; F309-M316 PolarHBondContact O-N 3.39Å; F309-Q318 HydrophobicContact CE1-CB 4.33Å
310T90.7Very high91.2Very high18 Ų1854.2 Ų54.211%0.1126%0.264CS..EExtended strand (participates in β ladder)trans-91.7132.1176.357.50000110.4Q285 K286 N314 L315 L331 W372 I379Q285-T310 WeakPolarHBondContact CA-OG1 3.42Å; K286-T310 PolarHBondContact N-OG1 3.16Å; K286-T310 PolarHBondContact O-N 3.22Å; K286-T310 PolarHBondContact O-OG1 3.49Å; T310-N314 CarbonylContact C-O 3.53Å; T310-N314 VanDerWaalsContact CA-O 3.28Å; T310-N314 WeakPolarHBondContact CA-O 3.36Å; T310-L315 HydrophobicContact CG2-CD1 4.37Å; T310-L331 HydrophobicContact CG2-CD1 4.15Å; T310-W372 HydrophobicContact CG2-CZ3 4.22Å; T310-I379 HydrophobicContact CG2-CD1 3.65Å
311Q85.6Confident91.1Very high46 Ų4653.9 Ų53.922%0.21528%0.278CS..EExtended strand (participates in β ladder)trans-147.2122.9179.8-175-176.67.900111.3F309 G313 N314 M316 A400F309-Q311 HydrophobicContact CD2-CB 4.2Å; F309-Q311 HydrophobicContact CE2-CB 4.21Å; Q311-G313 VanDerWaalsContact C-N 3.27Å; Q311-G313 PolarHBondContact O-N 3.33Å; Q311-N314 PolarHBondContact N-O 2.91Å; Q311-N314 WeakPolarHBondContact O-CB 3.44Å; Q311-N314 PolarHBondContact O-N 2.94Å; Q311-M316 HydrophobicContact CB-CG 4.05Å; Q311-A400 HydrophobicContact CG-CB 3.51Å; Q311-A400 PolarHBondContact NE2-O 3.08Å
312G79.5Confident90.9Very high30 Ų3053.6 Ų53.631%0.30928%0.28SS..THydrogen-bonded Turntrans5835.8172.400000114.2N314G312-N314 VanDerWaalsContact C-N 3.3Å
313G83.9Confident90.4Very high6 Ų657.4 Ų57.46%0.06230%0.303CS..THydrogen-bonded Turntrans84-2-175.100000114.9Q311 L331Q311-G313 VanDerWaalsContact C-N 3.27Å; Q311-G313 PolarHBondContact O-N 3.33Å; G313-L331 WeakPolarHBondContact O-CA 3.39Å; G313-L331 WeakPolarHBondContact O-CB 3.38Å; G313-L331 PolarHBondContact O-N 3.25Å
314N88.8Confident89.7Confident44 Ų4458.8 Ų58.824%0.23532%0.323CS..EExtended strand (participates in β ladder)trans-107.7153.3-179.2-63.9-62.2000112.6T310 Q311 G312 M316 L327 D330T310-N314 CarbonylContact C-O 3.53Å; T310-N314 VanDerWaalsContact CA-O 3.28Å; T310-N314 WeakPolarHBondContact CA-O 3.36Å; Q311-N314 PolarHBondContact N-O 2.91Å; Q311-N314 WeakPolarHBondContact O-CB 3.44Å; Q311-N314 PolarHBondContact O-N 2.94Å; G312-N314 VanDerWaalsContact C-N 3.3Å; N314-M316 HydrophobicContact CB-SD 4.08Å; N314-L327 HydrophobicContact CB-CD1 3.5Å; N314-L327 VanDerWaalsContact CB-CD1 3.5Å; N314-D330 WeakPolarHBondContact OD1-CA 3.39Å
315L93.5Very high89.1Confident0 Ų055.4 Ų55.40%031%0.311CS..EExtended strand (participates in β ladder)trans-96.2116.3164.4-176.167.1000109.6F308 T310 I328 Q329 L331 I350 I359 L361 W372F308-L315 HydrophobicContact CB-CD1 4.28Å; F308-L315 HydrophobicContact CD1-CD1 4.1Å; F308-L315 HydrophobicContact CD1-CD2 4.13Å; F308-L315 HydrophobicContact CD1-CG 4.04Å; F308-L315 HydrophobicContact CE1-CD2 4.48Å; T310-L315 HydrophobicContact CG2-CD1 4.37Å; L315-I328 PolarHBondContact O-N 2.68Å; L315-Q329 HydrophobicContact CB-CB 4.39Å; L315-Q329 WeakPolarHBondContact CB-O 3.3Å; L315-Q329 PolarHBondContact N-O 3.02Å; L315-Q329 PolarHBondContact O-N 3.41Å; L315-L331 HydrophobicContact CB-CD1 4.16Å; L315-L331 HydrophobicContact CB-CD2 3.87Å; L315-L331 HydrophobicContact CB-CG 4.03Å; L315-I350 HydrophobicContact CD2-CD1 3.69Å; L315-I359 HydrophobicContact CD2-CD1 3.91Å; L315-L361 HydrophobicContact CD2-CD1 4Å; L315-W372 HydrophobicContact CD1-CZ3 4.16Å
316M93.6Very high88.6Confident22 Ų2250 Ų5011%0.10830%0.303CS..EExtended strand (participates in β ladder)trans-103.4154.9179-53.2-59.4-71.800110.4F308 F309 Q311 N314 G326 L327F308-M316 VanDerWaalsContact CA-O 3.32Å; F308-M316 WeakPolarHBondContact CA-O 3.37Å; F309-M316 HydrophobicContact CD1-CB 4.03Å; F309-M316 HydrophobicContact CD2-CB 3.85Å; F309-M316 HydrophobicContact CD2-CG 4.15Å; F309-M316 HydrophobicContact CE1-CB 3.65Å; F309-M316 HydrophobicContact CE2-CB 3.46Å; F309-M316 VanDerWaalsContact CE2-CB 3.46Å; F309-M316 HydrophobicContact CE2-CG 3.65Å; F309-M316 HydrophobicContact CG-CB 4.12Å; F309-M316 HydrophobicContact CZ-CB 3.35Å; F309-M316 HydrophobicContact CZ-CG 3.97Å; F309-M316 PolarHBondContact N-O 2.97Å; F309-M316 WeakPolarHBondContact O-CB 3.42Å; F309-M316 PolarHBondContact O-N 3.39Å; Q311-M316 HydrophobicContact CB-CG 4.05Å; N314-M316 HydrophobicContact CB-SD 4.08Å; M316-G326 CarbonylContact C-O 3.55Å; M316-G326 WeakPolarHBondContact CA-O 3.45Å; M316-L327 HydrophobicContact CE-CB 4.27Å; M316-L327 HydrophobicContact SD-CB 4.08Å; M316-L327 HydrophobicContact SD-CD1 3.79Å
317C93.6Very high88.4Confident6 Ų654.5 Ų54.54%0.04133%0.327CS..EExtended strand (participates in β ladder)trans-139131.4177.3172.60000111.6L306 Y307 F308 G325 G326 I328L306-C317 WeakPolarHBondContact CB-SG 3.39Å; L306-C317 VanDerWaalsContact CD1-SG 3.53Å; Y307-C317 CarbonylContact O-C 3.57Å; Y307-C317 VanDerWaalsContact O-CA 3.31Å; Y307-C317 WeakPolarHBondContact O-CA 3.47Å; F308-C317 HydrophobicContact CD1-CB 3.93Å; F308-C317 HydrophobicContact CE1-CB 3.71Å; F308-C317 HydrophobicContact CZ-CB 4.17Å; C317-G325 CarbonylContact O-C 3.53Å; C317-G325 VanDerWaalsContact O-CA 3.25Å; C317-G325 WeakPolarHBondContact O-CA 3.36Å; C317-G326 PolarHBondContact N-O 3.02Å; C317-G326 PolarHBondContact O-N 2.84Å; C317-I328 HydrophobicContact CB-CD1 3.65Å; C317-I328 HydrophobicContact CB-CG1 3.19Å
318Q91.9Very high88.1Confident59 Ų5953.6 Ų53.628%0.27633%0.327SS..EExtended strand (participates in β ladder)trans-122.9114.4176.7-172.4170.32.800110.5Y307 F309 A322Y307-Q318 WeakPolarHBondContact CB-O 3.4Å; Y307-Q318 PolarHBondContact N-O 3.41Å; Y307-Q318 PolarHBondContact O-N 2.95Å; F309-Q318 HydrophobicContact CE1-CB 4.33Å; Q318-A322 HydrophobicContact CG-CB 4.29Å; Q318-A322 PolarHBondContact NE2-O 3.11Å
319P90.4Very high87.7Confident56 Ų5655.3 Ų55.336%0.36434%0.335SS..  trans-64.8151.2169-19.831.8000111.9L306 G321 A322L306-P319 HydrophobicContact CD2-CB 3.87Å; L306-P319 HydrophobicContact CD2-CG 4.05Å; P319-G321 PolarHBondContact O-N 3.01Å; P319-A322 HydrophobicContact CB-CB 4.38Å; P319-A322 HydrophobicContact CG-CB 4.49Å; P319-A322 WeakPolarHBondContact O-CB 3.41Å; P319-A322 PolarHBondContact O-N 3.18Å; P319-A322 VanDerWaalsContact O-N 3.11Å
320R89.3Confident87.3Confident235 Ų23557 Ų5789%0.88735%0.346SS*.THydrogen-bonded Turntrans-63.9123.2175.2-171.1175.469.7120.60.9110
321G80.9Confident87.3Confident80 Ų8056.1 Ų56.183%0.82534%0.34SS*.THydrogen-bonded Turntrans94.3-5.5-177.600000114.6P319P319-G321 PolarHBondContact O-N 3.01Å
322A85.3Confident87.1Confident38 Ų3856.5 Ų56.531%0.31434%0.344SS..  trans-79.4140.7170.100000110.7Q318 P319 A324Q318-A322 HydrophobicContact CG-CB 4.29Å; Q318-A322 PolarHBondContact NE2-O 3.11Å; P319-A322 HydrophobicContact CB-CB 4.38Å; P319-A322 HydrophobicContact CG-CB 4.49Å; P319-A322 WeakPolarHBondContact O-CB 3.41Å; P319-A322 PolarHBondContact O-N 3.18Å; P319-A322 VanDerWaalsContact O-N 3.11Å; A322-A324 VanDerWaalsContact C-N 3.34Å
323V81.1Confident87.2Confident152 Ų15258.3 Ų58.392%0.92135%0.347SS*.SBendtrans-69.9-31.7178.3179.30000111.7
324A80.4Confident87.4Confident68 Ų6858.2 Ų58.256%0.56235%0.345SS*.SBendtrans-139.1156.4-178.200000112.1A322A322-A324 VanDerWaalsContact C-N 3.34Å
325G82.3Confident87.3Confident17 Ų1759 Ų5918%0.17535%0.354CS..PPolyproline II helixtrans-86.5142.4173.700000112.7C317C317-G325 CarbonylContact O-C 3.53Å; C317-G325 VanDerWaalsContact O-CA 3.25Å; C317-G325 WeakPolarHBondContact O-CA 3.36Å
326G85.4Confident87.3Confident39 Ų3959.5 Ų59.540%0.40236%0.357SS..EExtended strand (participates in β ladder)trans-94.5153.7174.600000112.6M316 C317 I328M316-G326 CarbonylContact C-O 3.55Å; M316-G326 WeakPolarHBondContact CA-O 3.45Å; C317-G326 PolarHBondContact N-O 3.02Å; C317-G326 PolarHBondContact O-N 2.84Å; G326-I328 PolarHBondContact O-N 2.58Å
327L90.9Very high87.3Confident106 Ų10663.7 Ų63.756%0.55538%0.377SS*.EExtended strand (participates in β ladder)trans-70.2124.6171.7176.664.9000110N314 M316N314-L327 HydrophobicContact CB-CD1 3.5Å; N314-L327 VanDerWaalsContact CB-CD1 3.5Å; M316-L327 HydrophobicContact CE-CB 4.27Å; M316-L327 HydrophobicContact SD-CB 4.08Å; M316-L327 HydrophobicContact SD-CD1 3.79Å
328I90.6Very high87.3Confident62 Ų6266.3 Ų66.332%0.31840%0.4SS..EExtended strand (participates in β ladder)trans-99-50.3174.7-64.6-61.7000111F308 L315 C317 G326 I359F308-I328 HydrophobicContact CE1-CG1 4.13Å; L315-I328 PolarHBondContact O-N 2.68Å; C317-I328 HydrophobicContact CB-CD1 3.65Å; C317-I328 HydrophobicContact CB-CG1 3.19Å; G326-I328 PolarHBondContact O-N 2.58Å; I328-I359 HydrophobicContact CG2-CD1 3.65Å
329Q88.6Confident87.4Confident36 Ų3665.4 Ų65.417%0.16840%0.398CS..EExtended strand (participates in β ladder)trans-152.6128.5-172-17656.366.500109.9L315 L331 I350 T352 I359L315-Q329 HydrophobicContact CB-CB 4.39Å; L315-Q329 WeakPolarHBondContact CB-O 3.3Å; L315-Q329 PolarHBondContact N-O 3.02Å; L315-Q329 PolarHBondContact O-N 3.41Å; Q329-L331 HydrophobicContact CG-CD2 4.42Å; Q329-L331 PolarHBondContact O-N 3.11Å; Q329-I350 HydrophobicContact CG-CG2 4.32Å; Q329-T352 VanDerWaalsContact CD-CG2 3.46Å; Q329-T352 VanDerWaalsContact OE1-CG2 3.25Å; Q329-I359 HydrophobicContact CB-CD1 3.99Å; Q329-I359 HydrophobicContact CG-CD1 4.47Å
330D88.1Confident87.5Confident77 Ų7770.7 Ų70.741%0.41242%0.423SS..EExtended strand (participates in β ladder)trans-69.2125.2163.7-175.4-7.4000108.2N314 D332 C334N314-D330 WeakPolarHBondContact OD1-CA 3.39Å; D330-D332 VanDerWaalsContact C-N 3.28Å; D330-D332 VanDerWaalsContact OD1-CB 3.29Å; D330-D332 WeakPolarHBondContact OD1-CB 3.39Å; D330-D332 PolarHBondContact OD1-N 3.21Å; D330-C334 PolarHBondContact O-SG 3.49Å
331L88.8Confident87.5Confident0 Ų060 Ų600%038%0.384CS..  trans-87.1-0.3-178.5-56.6176.5000112.4T310 G313 L315 Q329 N333 C334 I350 I376 I379 S380T310-L331 HydrophobicContact CG2-CD1 4.15Å; G313-L331 WeakPolarHBondContact O-CA 3.39Å; G313-L331 WeakPolarHBondContact O-CB 3.38Å; G313-L331 PolarHBondContact O-N 3.25Å; L315-L331 HydrophobicContact CB-CD1 4.16Å; L315-L331 HydrophobicContact CB-CD2 3.87Å; L315-L331 HydrophobicContact CB-CG 4.03Å; Q329-L331 HydrophobicContact CG-CD2 4.42Å; Q329-L331 PolarHBondContact O-N 3.11Å; L331-N333 PolarHBondContact O-N 3.31Å; L331-C334 WeakPolarHBondContact O-CB 3.48Å; L331-C334 PolarHBondContact O-N 3.26Å; L331-C334 VanDerWaalsContact O-N 3.12Å; L331-I350 HydrophobicContact CD2-CD1 4.22Å; L331-I350 HydrophobicContact CD2-CG2 4.2Å; L331-I376 HydrophobicContact CD1-CG1 4.19Å; L331-I376 HydrophobicContact CD1-CG2 4.33Å; L331-I376 HydrophobicContact CD2-CG2 3.91Å; L331-I379 HydrophobicContact CB-CG2 4.1Å; L331-I379 HydrophobicContact CD1-CD1 4.17Å; L331-I379 HydrophobicContact CD1-CG2 4.19Å; L331-S380 WeakPolarHBondContact O-CB 3.11Å
332D83.3Confident87.9Confident53 Ų5360.1 Ų60.128%0.28336%0.363SS..THydrogen-bonded Turntrans-58.6125.2175.8-168.733000111.2D330 C334 I383 Y384D330-D332 VanDerWaalsContact C-N 3.28Å; D330-D332 VanDerWaalsContact OD1-CB 3.29Å; D330-D332 WeakPolarHBondContact OD1-CB 3.39Å; D330-D332 PolarHBondContact OD1-N 3.21Å; D332-C334 PolarHBondContact O-N 3.28Å; D332-I383 HydrophobicContact CB-CD1 4.04Å; D332-I383 WeakPolarHBondContact OD1-CB 3.3Å; D332-I383 WeakPolarHBondContact OD1-CG2 3.3Å; D332-Y384 WeakPolarHBondContact OD1-CE2 3.49Å
333N80.8Confident88.2Confident69 Ų6966.4 Ų66.437%0.36939%0.391SS..THydrogen-bonded Turntrans52.315.6-175.3-149.613.1000115.8L331 P353 Y384L331-N333 PolarHBondContact O-N 3.31Å; N333-P353 HydrophobicContact CB-CB 4.47Å; N333-P353 HydrophobicContact CB-CG 3.55Å; N333-P353 WeakPolarHBondContact O-CG 3.36Å; N333-Y384 HydrophobicContact CB-CD2 4.13Å; N333-Y384 HydrophobicContact CB-CE1 4.36Å; N333-Y384 HydrophobicContact CB-CE2 3.17Å; N333-Y384 WeakPolarHBondContact CB-OH 3.1Å; N333-Y384 VanDerWaalsContact CG-CE2 3.42Å; N333-Y384 VanDerWaalsContact CG-OH 3.23Å; N333-Y384 PolarHBondContact ND2-OH 3.42Å
334C87.7Confident88.9Confident4 Ų463.7 Ų63.73%0.02737%0.365CS..  trans-71.8148.5179.1-78.40000110.9D330 L331 D332 I350 T351 S380D330-C334 PolarHBondContact O-SG 3.49Å; L331-C334 WeakPolarHBondContact O-CB 3.48Å; L331-C334 PolarHBondContact O-N 3.26Å; L331-C334 VanDerWaalsContact O-N 3.12Å; D332-C334 PolarHBondContact O-N 3.28Å; C334-I350 HydrophobicContact CB-CG2 3.88Å; C334-T351 WeakPolarHBondContact CA-O 3.41Å; C334-S380 PolarHBondContact N-OG 2.82Å; C334-S380 WeakPolarHBondContact O-CB 3.08Å; C334-S380 PolarHBondContact O-OG 3.01Å
335S87.9Confident89.6Confident60 Ų6068.1 Ų68.142%0.4237%0.367SS..EExtended strand (participates in β ladder)trans-109133170.591.30000110T351S335-T351 PolarHBondContact N-O 2.85Å; S335-T351 PolarHBondContact O-N 2.79Å; S335-T351 PolarHBondContact O-OG1 3.43Å; S335-T351 PolarHBondContact OG-OG1 3.38Å
336V93.1Very high90.2Very high11 Ų1169.8 Ų69.87%0.06737%0.368CS..EExtended strand (participates in β ladder)trans-121.9133.4-179.261.60000110.2F348 Q349 I350 I373 I376 N377V336-F348 HydrophobicContact CG2-CD2 3.74Å; V336-F348 HydrophobicContact CG2-CE2 4.37Å; V336-Q349 WeakPolarHBondContact CA-O 3.44Å; V336-I350 HydrophobicContact CB-CG1 4.29Å; V336-I350 HydrophobicContact CG2-CG1 3.91Å; V336-I373 HydrophobicContact CG1-CG2 4.17Å; V336-I373 WeakPolarHBondContact CG1-O 3.29Å; V336-I373 HydrophobicContact CG2-CG1 4.15Å; V336-I376 HydrophobicContact CB-CB 4.31Å; V336-I376 HydrophobicContact CB-CG2 3.79Å; V336-I376 HydrophobicContact CG1-CB 3.84Å; V336-I376 HydrophobicContact CG1-CG2 3.62Å; V336-I376 HydrophobicContact CG2-CD1 4.24Å; V336-I376 HydrophobicContact CG2-CG2 4.34Å; V336-N377 HydrophobicContact CG1-CB 4.23Å; V336-N377 VanDerWaalsContact CG1-ND2 3.3Å; V336-N377 WeakPolarHBondContact CG1-ND2 3.29Å; V336-N377 WeakPolarHBondContact CG1-OD1 3.47Å
337M92.4Very high90.8Very high110 Ų11068.1 Ų68.154%0.54235%0.351SS..EExtended strand (participates in β ladder)trans-147.4149.7-178.658.1-171.2-72.800111.4F348 Q349M337-F348 CarbonylContact O-C 3.48Å; M337-F348 VanDerWaalsContact O-CA 3.27Å; M337-F348 WeakPolarHBondContact O-CA 3.45Å; M337-F348 WeakPolarHBondContact O-CB 3.32Å; M337-Q349 PolarHBondContact N-O 3.23Å; M337-Q349 VanDerWaalsContact N-O 3.08Å; M337-Q349 PolarHBondContact O-N 3.06Å
338A94.6Very high91.1Very high61 Ų6163.1 Ų63.150%0.50432%0.324SS..EExtended strand (participates in β ladder)trans-63142.2169.200000109.9I373A338-I373 HydrophobicContact CB-CD1 4.01Å
339V93.9Very high91.3Very high39 Ų3962.4 Ų62.424%0.23632%0.32CS..  trans-141.3139.7-177.970.60000110.6C341 C347 Q349 I360V339-C341 HydrophobicContact CG1-CB 4.48Å; V339-C347 HydrophobicContact CG1-CB 4.2Å; V339-C347 PolarHBondContact N-O 3.27Å; V339-C347 VanDerWaalsContact O-CB 3.24Å; V339-C347 WeakPolarHBondContact O-CB 3.49Å; V339-Q349 HydrophobicContact CB-CB 4.37Å; V339-Q349 HydrophobicContact CG1-CB 4Å; V339-I360 HydrophobicContact CG1-CG2 4.29Å
340D92.3Very high91.5Very high167 Ų16760.7 Ų60.789%0.89331%0.312SS*.  trans-79.6118.5168.7-66.8-39.5000109.4
341C89.6Confident91.6Very high10 Ų1058.8 Ų58.87%0.06830%0.303CS..BIsolated β-bridgetrans-137.6119-177.8-166.40000110.7R293 V339 D343 R344 C347 I360R293-C341 VanDerWaalsContact CZ-SG 3.53Å; V339-C341 HydrophobicContact CG1-CB 4.48Å; C341-D343 PolarHBondContact O-N 2.57Å; C341-D343 VanDerWaalsContact O-N 3.1Å; C341-R344 WeakPolarHBondContact O-CB 3.43Å; C341-R344 PolarHBondContact O-N 2.91Å; C341-C347 HydrophobicContact CB-CB 4.21Å; C341-I360 HydrophobicContact CB-CG2 4.3Å
342E89.3Confident91.3Very high83 Ų8359.9 Ų59.939%0.38831%0.309SS..THydrogen-bonded Turntrans52.932.3174.7-60.9174.5-165.300114.3R293 T301 W303 R344R293-E342 IonicContact CZ-OE1 2.82Å; R293-E342 VanDerWaalsContact CZ-OE1 3.23Å; R293-E342 IonicContact NE-OE1 3.94Å; R293-E342 PolarHBondContact NE-OE1 3.47Å; R293-E342 IonicContact NH2-OE1 2.92Å; R293-E342 PolarHBondContact NH2-OE1 2.85Å; T301-E342 VanDerWaalsContact CB-OE1 3.29Å; T301-E342 WeakPolarHBondContact CB-OE1 3.45Å; T301-E342 WeakPolarHBondContact CG2-OE1 3.25Å; T301-E342 PolarHBondContact OG1-OE1 2.88Å; T301-E342 PolarHBondContact OG1-OE2 3.26Å; W303-E342 PolarHBondContact NE1-OE2 3Å; E342-R344 PolarHBondContact O-N 2.9Å; E342-R344 VanDerWaalsContact O-N 3.14Å
343D92.1Very high90.9Very high170 Ų17060.7 Ų60.791%0.90932%0.317SS*.THydrogen-bonded Turntrans55.925-175.4-162.135.9000113.8C341C341-D343 PolarHBondContact O-N 2.57Å; C341-D343 VanDerWaalsContact O-N 3.1Å
344R95.1Very high90.4Very high96 Ų9664 Ų6436%0.36234%0.336SS..BIsolated β-bridgetrans-90.7134.3176.6-69.9-176.8173.3-123.6-0.2111.1W303 C341 E342W303-R344 VanDerWaalsContact CE2-CD 3.5Å; C341-R344 WeakPolarHBondContact O-CB 3.43Å; C341-R344 PolarHBondContact O-N 2.91Å; E342-R344 PolarHBondContact O-N 2.9Å; E342-R344 VanDerWaalsContact O-N 3.14Å
345R94.7Very high89.1Confident161 Ų16167.3 Ų67.361%0.60837%0.37SS*.THydrogen-bonded Turntrans-67.7148.6175.6-56.4-172.4-61.8158.93.2110.9C347 Q362R345-C347 VanDerWaalsContact C-N 3.31Å; R345-C347 PolarHBondContact O-N 2.88Å; R345-Q362 WeakPolarHBondContact O-CG 3.4Å; R345-Q362 PolarHBondContact O-NE2 3.1Å; R345-Q362 VanDerWaalsContact O-NE2 3.08Å
346Y95.7Very high88Confident51 Ų5171.8 Ų71.820%0.238%0.382CS..THydrogen-bonded Turntrans59.337.3167.2-52-38.5000114.4D271 A363 S365 R366 N369D271-Y346 PolarHBondContact OD1-OH 2.67Å; D271-Y346 PolarHBondContact OD2-OH 2.97Å; Y346-A363 WeakPolarHBondContact CB-O 3.41Å; Y346-A363 PolarHBondContact O-N 3.04Å; Y346-S365 VanDerWaalsContact CD2-C 3.46Å; Y346-R366 HydrophobicContact CD1-CB 4.47Å; Y346-R366 HydrophobicContact CE1-CB 3.75Å; Y346-R366 HydrophobicContact CE1-CG 4.4Å; Y346-N369 WeakPolarHBondContact CA-ND2 3.28Å; Y346-N369 HydrophobicContact CD1-CB 4.49Å; Y346-N369 HydrophobicContact CG-CB 4.45Å; Y346-N369 PolarHBondContact O-ND2 3.01Å
347C97.2Very high86.7Confident5 Ų576.7 Ų76.73%0.03442%0.417CS..EExtended strand (participates in β ladder)trans-85.1144171.3-69.60000111.9V339 C341 R345 L361V339-C347 HydrophobicContact CG1-CB 4.2Å; V339-C347 PolarHBondContact N-O 3.27Å; V339-C347 VanDerWaalsContact O-CB 3.24Å; V339-C347 WeakPolarHBondContact O-CB 3.49Å; C341-C347 HydrophobicContact CB-CB 4.21Å; R345-C347 VanDerWaalsContact C-N 3.31Å; R345-C347 PolarHBondContact O-N 2.88Å; C347-L361 CarbonylContact C-O 3.47Å; C347-L361 VanDerWaalsContact CA-O 3.29Å; C347-L361 WeakPolarHBondContact CA-O 3.42Å
348F96.9Very high86.1Confident0 Ų072.3 Ų72.30%040%0.399CS..EExtended strand (participates in β ladder)trans-142.4152.9172.565.2-88.4000110.3L290 V336 M337 I350 L361 W372 I373 I376L290-F348 HydrophobicContact CD1-CE1 4.38Å; L290-F348 HydrophobicContact CD1-CZ 3.81Å; L290-F348 HydrophobicContact CD2-CE1 4.1Å; L290-F348 HydrophobicContact CD2-CZ 4.35Å; V336-F348 HydrophobicContact CG2-CD2 3.74Å; V336-F348 HydrophobicContact CG2-CE2 4.37Å; M337-F348 CarbonylContact O-C 3.48Å; M337-F348 VanDerWaalsContact O-CA 3.27Å; M337-F348 WeakPolarHBondContact O-CA 3.45Å; M337-F348 WeakPolarHBondContact O-CB 3.32Å; F348-I350 HydrophobicContact CD2-CG1 4.35Å; F348-I350 HydrophobicContact CE2-CD1 4.3Å; F348-I350 HydrophobicContact CE2-CG1 4.26Å; F348-L361 HydrophobicContact CD1-CB 4.39Å; F348-L361 HydrophobicContact CD2-CB 4.36Å; F348-L361 HydrophobicContact CE1-CB 3.87Å; F348-L361 HydrophobicContact CE2-CB 3.84Å; F348-L361 HydrophobicContact CE2-CD1 3.74Å; F348-L361 HydrophobicContact CE2-CG 4.4Å; F348-L361 HydrophobicContact CZ-CB 3.58Å; F348-L361 HydrophobicContact CZ-CD1 3.88Å; F348-L361 HydrophobicContact CZ-CG 4.37Å; F348-L361 PolarHBondContact N-O 3.32Å; F348-L361 PolarHBondContact O-N 3.02Å; F348-W372 HydrophobicContact CE1-CB 3.99Å; F348-W372 HydrophobicContact CE1-CG 4.4Å; F348-W372 HydrophobicContact CE2-CB 4.45Å; F348-W372 HydrophobicContact CZ-CB 3.77Å; F348-W372 HydrophobicContact CZ-CG 4.14Å; F348-I373 HydrophobicContact CB-CD1 3.9Å; F348-I373 HydrophobicContact CB-CG1 3.89Å; F348-I373 HydrophobicContact CD2-CG1 4.4Å; F348-I373 HydrophobicContact CG-CG1 4.08Å; F348-I376 HydrophobicContact CE2-CD1 3.84Å
349Q95.1Very high86Confident48 Ų4871 Ų7122%0.22438%0.384CS..EExtended strand (participates in β ladder)trans-119134.4-179-170.6175.913.700110.3V336 M337 V339 T351 G358 I359 I360V336-Q349 WeakPolarHBondContact CA-O 3.44Å; M337-Q349 PolarHBondContact N-O 3.23Å; M337-Q349 VanDerWaalsContact N-O 3.08Å; M337-Q349 PolarHBondContact O-N 3.06Å; V339-Q349 HydrophobicContact CB-CB 4.37Å; V339-Q349 HydrophobicContact CG1-CB 4Å; Q349-T351 HydrophobicContact CG-CG2 4Å; Q349-G358 PolarHBondContact NE2-O 3.04Å; Q349-I359 VanDerWaalsContact CA-O 3.3Å; Q349-I359 WeakPolarHBondContact CA-O 3.25Å; Q349-I359 WeakPolarHBondContact CG-O 3.45Å; Q349-I360 HydrophobicContact CB-CG1 4.13Å; Q349-I360 HydrophobicContact CG-CG1 3.83Å
350I93.9Very high86Confident0 Ų070 Ų700%038%0.377CS..EExtended strand (participates in β ladder)trans-103.1124.6169.8-52.1174.3000107.4L315 Q329 L331 C334 V336 F348 G358 I359 L361 I376L315-I350 HydrophobicContact CD2-CD1 3.69Å; Q329-I350 HydrophobicContact CG-CG2 4.32Å; L331-I350 HydrophobicContact CD2-CD1 4.22Å; L331-I350 HydrophobicContact CD2-CG2 4.2Å; C334-I350 HydrophobicContact CB-CG2 3.88Å; V336-I350 HydrophobicContact CB-CG1 4.29Å; V336-I350 HydrophobicContact CG2-CG1 3.91Å; F348-I350 HydrophobicContact CD2-CG1 4.35Å; F348-I350 HydrophobicContact CE2-CD1 4.3Å; F348-I350 HydrophobicContact CE2-CG1 4.26Å; I350-G358 CarbonylContact O-C 3.6Å; I350-G358 WeakPolarHBondContact O-CA 3.26Å; I350-I359 HydrophobicContact CB-CD1 4.46Å; I350-I359 HydrophobicContact CB-CG1 3.9Å; I350-I359 HydrophobicContact CD1-CD1 4.13Å; I350-I359 HydrophobicContact CD1-CG1 4.35Å; I350-I359 HydrophobicContact CG1-CG1 4.38Å; I350-I359 PolarHBondContact N-O 2.95Å; I350-I359 PolarHBondContact O-N 3.09Å; I350-L361 HydrophobicContact CD1-CD1 3.96Å; I350-I376 HydrophobicContact CD1-CD1 3.53Å; I350-I376 HydrophobicContact CD1-CG1 4.43Å; I350-I376 HydrophobicContact CD1-CG2 4.46Å; I350-I376 HydrophobicContact CG1-CD1 4.14Å
351T90.3Very high86.3Confident37 Ų3762.1 Ų62.123%0.22734%0.335CS..EExtended strand (participates in β ladder)trans-116.4133.3-17854.70000110.4C334 S335 Q349C334-T351 WeakPolarHBondContact CA-O 3.41Å; S335-T351 PolarHBondContact N-O 2.85Å; S335-T351 PolarHBondContact O-N 2.79Å; S335-T351 PolarHBondContact O-OG1 3.43Å; S335-T351 PolarHBondContact OG-OG1 3.38Å; Q349-T351 HydrophobicContact CG-CG2 4Å
352T82.4Confident86.7Confident22 Ų2263 Ų6314%0.13534%0.338CS..  trans-80.2152.6179.264.20000111.6Q329 N354 G355 K356Q329-T352 VanDerWaalsContact CD-CG2 3.46Å; Q329-T352 VanDerWaalsContact OE1-CG2 3.25Å; T352-N354 PolarHBondContact O-N 3.42Å; T352-G355 PolarHBondContact O-N 3.32Å; T352-K356 PolarHBondContact OG1-N 2.86Å
353P74Confident87.1Confident70 Ų7059.2 Ų59.246%0.45532%0.321SS..THydrogen-bonded Turntrans-57.8-33.1178.1-22.231.5000113.8N333 G355N333-P353 HydrophobicContact CB-CB 4.47Å; N333-P353 HydrophobicContact CB-CG 3.55Å; N333-P353 WeakPolarHBondContact O-CG 3.36Å; P353-G355 PolarHBondContact O-N 3.45Å
354N70.3Confident87.2Confident140 Ų14055.7 Ų55.775%0.74930%0.299SS*.THydrogen-bonded Turntrans-81.49.7-172.6-62.5-9.1000113.4T352 K356T352-N354 PolarHBondContact O-N 3.42Å; N354-K356 PolarHBondContact O-N 2.77Å
355G60.5Low87.1Confident73 Ų7351.6 Ų51.675%0.75329%0.285SS*.  trans69.212.7178.400000115.2T352 P353T352-G355 PolarHBondContact O-N 3.32Å; P353-G355 PolarHBondContact O-N 3.45Å
356K63.8Low87Confident153 Ų15349.4 Ų49.467%0.66528%0.277SS*.  trans-66.6158.4171.8-67.3-175.4178.61790110.7T352 N354 G358T352-K356 PolarHBondContact OG1-N 2.86Å; N354-K356 PolarHBondContact O-N 2.77Å; K356-G358 PolarHBondContact O-N 2.95Å; K356-G358 VanDerWaalsContact O-N 3.09Å
357S65.6Low86.9Confident115 Ų11549.8 Ų49.880%0.80428%0.28SS*.  trans-54.2114178.9550000111.2
358G80.1Confident86.8Confident17 Ų1751.6 Ų51.618%0.17529%0.287CS..  trans-69.1148178.200000112.7Q349 I350 K356Q349-G358 PolarHBondContact NE2-O 3.04Å; I350-G358 CarbonylContact O-C 3.6Å; I350-G358 WeakPolarHBondContact O-CA 3.26Å; K356-G358 PolarHBondContact O-N 2.95Å; K356-G358 VanDerWaalsContact O-N 3.09Å
359I92.7Very high86.8Confident35 Ų3552.2 Ų52.218%0.17929%0.291CS..EExtended strand (participates in β ladder)trans-81.2141.5176.661.4176.2000110.4L292 L315 I328 Q329 Q349 I350 L361L292-I359 HydrophobicContact CD1-CB 4.46Å; L315-I359 HydrophobicContact CD2-CD1 3.91Å; I328-I359 HydrophobicContact CG2-CD1 3.65Å; Q329-I359 HydrophobicContact CB-CD1 3.99Å; Q329-I359 HydrophobicContact CG-CD1 4.47Å; Q349-I359 VanDerWaalsContact CA-O 3.3Å; Q349-I359 WeakPolarHBondContact CA-O 3.25Å; Q349-I359 WeakPolarHBondContact CG-O 3.45Å; I350-I359 HydrophobicContact CB-CD1 4.46Å; I350-I359 HydrophobicContact CB-CG1 3.9Å; I350-I359 HydrophobicContact CD1-CD1 4.13Å; I350-I359 HydrophobicContact CD1-CG1 4.35Å; I350-I359 HydrophobicContact CG1-CG1 4.38Å; I350-I359 PolarHBondContact N-O 2.95Å; I350-I359 PolarHBondContact O-N 3.09Å; I359-L361 HydrophobicContact CD1-CD1 4.26Å
360I95.2Very high86.7Confident18 Ų1852 Ų529%0.09229%0.29CS..EExtended strand (participates in β ladder)trans-112.5126.5178.5-62.4168.2000108.4R293 W303 V339 C341 Q349R293-I360 HydrophobicContact CB-CB 4.05Å; R293-I360 HydrophobicContact CB-CG2 4.36Å; R293-I360 PolarHBondContact N-O 3.15Å; W303-I360 HydrophobicContact CH2-CG2 3.8Å; W303-I360 HydrophobicContact CZ3-CG2 4.42Å; V339-I360 HydrophobicContact CG1-CG2 4.29Å; C341-I360 HydrophobicContact CB-CG2 4.3Å; Q349-I360 HydrophobicContact CB-CG1 4.13Å; Q349-I360 HydrophobicContact CG-CG1 3.83Å
361L97.4Very high86.8Confident0 Ų052.8 Ų52.80%029%0.293CS..EExtended strand (participates in β ladder)trans-121.8154.4-178.4-66.8164.5000109.5L290 N291 L292 F308 L315 C347 F348 I350 I359L290-L361 HydrophobicContact CB-CD2 4.2Å; L290-L361 HydrophobicContact CD1-CB 4.24Å; L290-L361 HydrophobicContact CD1-CD1 3.99Å; L290-L361 HydrophobicContact CD1-CD2 4.31Å; L290-L361 HydrophobicContact CD1-CG 4.41Å; N291-L361 CarbonylContact O-C 3.5Å; N291-L361 WeakPolarHBondContact O-CA 3.39Å; L292-L361 HydrophobicContact CB-CD2 4.15Å; L292-L361 HydrophobicContact CD1-CD2 3.75Å; F308-L361 HydrophobicContact CD1-CD2 4.49Å; F308-L361 HydrophobicContact CD2-CD2 4.48Å; F308-L361 HydrophobicContact CE1-CD2 3.85Å; F308-L361 HydrophobicContact CE2-CD2 3.83Å; F308-L361 HydrophobicContact CZ-CD2 3.5Å; L315-L361 HydrophobicContact CD2-CD1 4Å; C347-L361 CarbonylContact C-O 3.47Å; C347-L361 VanDerWaalsContact CA-O 3.29Å; C347-L361 WeakPolarHBondContact CA-O 3.42Å; F348-L361 HydrophobicContact CD1-CB 4.39Å; F348-L361 HydrophobicContact CD2-CB 4.36Å; F348-L361 HydrophobicContact CE1-CB 3.87Å; F348-L361 HydrophobicContact CE2-CB 3.84Å; F348-L361 HydrophobicContact CE2-CD1 3.74Å; F348-L361 HydrophobicContact CE2-CG 4.4Å; F348-L361 HydrophobicContact CZ-CB 3.58Å; F348-L361 HydrophobicContact CZ-CD1 3.88Å; F348-L361 HydrophobicContact CZ-CG 4.37Å; F348-L361 PolarHBondContact N-O 3.32Å; F348-L361 PolarHBondContact O-N 3.02Å; I350-L361 HydrophobicContact CD1-CD1 3.96Å; I359-L361 HydrophobicContact CD1-CD1 4.26Å
362Q97.8Very high87.1Confident28 Ų2851.1 Ų51.113%0.13128%0.283CS..EExtended strand (participates in β ladder)trans-128.7128.4176.9177.9-174.825.800110.2L290 N291 W303 R345L290-Q362 WeakPolarHBondContact CA-O 3.49Å; L290-Q362 WeakPolarHBondContact CD2-O 3.29Å; N291-Q362 HydrophobicContact CB-CB 4.11Å; N291-Q362 PolarHBondContact N-O 3.47Å; N291-Q362 PolarHBondContact ND2-OE1 2.72Å; N291-Q362 VanDerWaalsContact ND2-OE1 3.09Å; N291-Q362 PolarHBondContact O-N 3.05Å; W303-Q362 HydrophobicContact CE3-CB 4.22Å; W303-Q362 HydrophobicContact CH2-CB 4.3Å; W303-Q362 HydrophobicContact CZ3-CB 3.61Å; R345-Q362 WeakPolarHBondContact O-CG 3.4Å; R345-Q362 PolarHBondContact O-NE2 3.1Å; R345-Q362 VanDerWaalsContact O-NE2 3.08Å
363A97.3Very high87.7Confident4 Ų451.2 Ų51.23%0.03328%0.282CS..  trans-94.4164.9171.500000111.6L290 Y346 E368 N369L290-A363 HydrophobicContact CD2-CB 3.87Å; Y346-A363 WeakPolarHBondContact CB-O 3.41Å; Y346-A363 PolarHBondContact O-N 3.04Å; A363-E368 HydrophobicContact CB-CB 3.98Å; A363-N369 HydrophobicContact CB-CB 4.03Å
364E94.8Very high88.7Confident96 Ų9649.2 Ų49.245%0.44927%0.27SS..SBendtrans-91.2-21.4-176.868.4-169.8142.700114.7
365S93.9Very high89.8Confident10 Ų1042.5 Ų42.57%0.0723%0.234CC..SBendtrans-136163.7179.372.80000112.2Y346 K367 E368 N369Y346-S365 VanDerWaalsContact CD2-C 3.46Å; S365-K367 VanDerWaalsContact C-N 3.31Å; S365-K367 PolarHBondContact O-N 3Å; S365-E368 PolarHBondContact O-N 2.97Å; S365-E368 WeakPolarHBondContact OG-CB 3.48Å; S365-E368 WeakPolarHBondContact OG-CG 3.42Å; S365-E368 PolarHBondContact OG-N 2.93Å; S365-E368 VanDerWaalsContact OG-N 3.1Å; S365-N369 WeakPolarHBondContact O-CB 3.42Å; S365-N369 PolarHBondContact O-N 3.06Å
366R92.8Very high91.3Very high115 Ų11539 Ų3943%0.43420%0.198SC..Hα-helixtrans-60.9-43.2174.8-179.1176.5179.9169.95.5111.6D271 Y346 N369 E370D271-R366 PolarHBondContact OD1-N 3.37Å; Y346-R366 HydrophobicContact CD1-CB 4.47Å; Y346-R366 HydrophobicContact CE1-CB 3.75Å; Y346-R366 HydrophobicContact CE1-CG 4.4Å; R366-N369 PolarHBondContact O-N 3.33Å; R366-E370 IonicContact CZ-OE1 2.62Å; R366-E370 IonicContact NE-OE1 3.51Å; R366-E370 PolarHBondContact NE-OE1 2.91Å; R366-E370 IonicContact NH2-OE1 2.69Å; R366-E370 PolarHBondContact NH2-OE1 2.87Å; R366-E370 PolarHBondContact O-N 2.84Å
367K93.3Very high92.6Very high60 Ų6033.6 Ų33.626%0.26118%0.176SC..Hα-helixtrans-58.3-51.5177.7174.7178169.1174.20111.1P277 Q278 I279 S365 N369 E370 E371P277-K367 HydrophobicContact CB-CB 4.17Å; Q278-K367 WeakPolarHBondContact O-CD 3.28Å; Q278-K367 WeakPolarHBondContact O-CE 3.35Å; Q278-K367 PolarHBondContact O-NZ 3.43Å; I279-K367 HydrophobicContact CG1-CB 4.44Å; I279-K367 HydrophobicContact CG1-CG 4.31Å; S365-K367 VanDerWaalsContact C-N 3.31Å; S365-K367 PolarHBondContact O-N 3Å; K367-N369 VanDerWaalsContact C-N 3.32Å; K367-N369 PolarHBondContact O-N 3.42Å; K367-E370 PolarHBondContact O-N 2.76Å; K367-E371 WeakPolarHBondContact CE-OE1 3.44Å; K367-E371 HydrophobicContact CG-CG 4.38Å; K367-E371 WeakPolarHBondContact O-CB 3.24Å; K367-E371 WeakPolarHBondContact O-CG 3.3Å; K367-E371 PolarHBondContact O-N 2.8Å
368E95.3Very high93.7Very high43 Ų4330.1 Ų30.120%0.20115%0.149CC..Hα-helixtrans-59.8-43.6179.5-77.9-61.311900111.5K286 A363 S365 E371 W372K286-E368 WeakPolarHBondContact CE-OE2 3.43Å; K286-E368 IonicContact NZ-OE1 2.8Å; K286-E368 PolarHBondContact NZ-OE1 3.18Å; K286-E368 IonicContact NZ-OE2 3.51Å; K286-E368 PolarHBondContact NZ-OE2 3.36Å; A363-E368 HydrophobicContact CB-CB 3.98Å; S365-E368 PolarHBondContact O-N 2.97Å; S365-E368 WeakPolarHBondContact OG-CB 3.48Å; S365-E368 WeakPolarHBondContact OG-CG 3.42Å; S365-E368 PolarHBondContact OG-N 2.93Å; S365-E368 VanDerWaalsContact OG-N 3.1Å; E368-E371 PolarHBondContact O-N 2.98Å; E368-W372 WeakPolarHBondContact O-CB 3.25Å; E368-W372 PolarHBondContact O-N 3.44Å; E368-W372 PolarHBondContact OE2-NE1 3.24Å
369N95.5Very high94.1Very high13 Ų1329.5 Ų29.57%0.0714%0.141CC..Hα-helixtrans-58.5-52.8177.5-177-82.9000112.6Y346 A363 S365 R366 K367 E371 W372 I373Y346-N369 WeakPolarHBondContact CA-ND2 3.28Å; Y346-N369 HydrophobicContact CD1-CB 4.49Å; Y346-N369 HydrophobicContact CG-CB 4.45Å; Y346-N369 PolarHBondContact O-ND2 3.01Å; A363-N369 HydrophobicContact CB-CB 4.03Å; S365-N369 WeakPolarHBondContact O-CB 3.42Å; S365-N369 PolarHBondContact O-N 3.06Å; R366-N369 PolarHBondContact O-N 3.33Å; K367-N369 VanDerWaalsContact C-N 3.32Å; K367-N369 PolarHBondContact O-N 3.42Å; N369-E371 VanDerWaalsContact C-N 3.33Å; N369-E371 PolarHBondContact O-N 3.41Å; N369-W372 PolarHBondContact O-N 2.95Å; N369-I373 VanDerWaalsContact O-CG1 3.31Å; N369-I373 WeakPolarHBondContact O-CG1 3.31Å; N369-I373 PolarHBondContact O-N 2.95Å; N369-I373 VanDerWaalsContact OD1-CD1 3.25Å; N369-I373 WeakPolarHBondContact OD1-CD1 3.42Å
370E94.6Very high93.7Very high44 Ų4428.3 Ų28.321%0.20614%0.136CC..Hα-helixtrans-64.3-39.3-179.4-72.3-168.6-147.400111.2I279 R281 R366 K367 I373 C374I279-E370 HydrophobicContact CD1-CB 3.89Å; I279-E370 HydrophobicContact CD1-CG 4.04Å; I279-E370 WeakPolarHBondContact CD1-OE2 3.41Å; I279-E370 HydrophobicContact CG2-CB 3.83Å; R281-E370 IonicContact NH2-OE2 3.45Å; R366-E370 IonicContact CZ-OE1 2.62Å; R366-E370 IonicContact NE-OE1 3.51Å; R366-E370 PolarHBondContact NE-OE1 2.91Å; R366-E370 IonicContact NH2-OE1 2.69Å; R366-E370 PolarHBondContact NH2-OE1 2.87Å; R366-E370 PolarHBondContact O-N 2.84Å; K367-E370 PolarHBondContact O-N 2.76Å; E370-I373 PolarHBondContact O-N 3.34Å; E370-C374 WeakPolarHBondContact O-CB 3.5Å; E370-C374 PolarHBondContact O-N 3.39Å; E370-C374 PolarHBondContact O-SG 2.91Å; E370-C374 VanDerWaalsContact O-SG 3.36Å
371E95.5Very high92.9Very high16 Ų1634.7 Ų34.78%0.07516%0.159CC..Hα-helixtrans-66.1-40.6176.8-74.1-171.9173.600113.1I279 N280 L283 K286 K367 E368 N369 C374 A375I279-E371 HydrophobicContact CG2-CG 3.91Å; N280-E371 PolarHBondContact N-OE1 3.38Å; L283-E371 HydrophobicContact CD1-CB 3.95Å; L283-E371 HydrophobicContact CD1-CG 4.11Å; K286-E371 HydrophobicContact CD-CB 3.95Å; K286-E371 IonicContact NZ-OE2 2.7Å; K286-E371 PolarHBondContact NZ-OE2 2.74Å; K367-E371 WeakPolarHBondContact CE-OE1 3.44Å; K367-E371 HydrophobicContact CG-CG 4.38Å; K367-E371 WeakPolarHBondContact O-CB 3.24Å; K367-E371 WeakPolarHBondContact O-CG 3.3Å; K367-E371 PolarHBondContact O-N 2.8Å; E368-E371 PolarHBondContact O-N 2.98Å; N369-E371 VanDerWaalsContact C-N 3.33Å; N369-E371 PolarHBondContact O-N 3.41Å; E371-C374 PolarHBondContact O-N 3.47Å; E371-A375 VanDerWaalsContact O-CB 3.26Å; E371-A375 WeakPolarHBondContact O-CB 3.35Å; E371-A375 PolarHBondContact O-N 3.45Å
372W96.8Very high91.4Very high1 Ų138.4 Ų38.40%0.00418%0.176CC..Hα-helixtrans-61.7-47174.1-85.3110.5000111.6K286 L290 F308 T310 L315 F348 E368 N369 C374 A375 I376K286-W372 HydrophobicContact CB-CD2 4.46Å; K286-W372 HydrophobicContact CB-CE3 4.15Å; K286-W372 HydrophobicContact CB-CH2 4.27Å; K286-W372 HydrophobicContact CB-CZ3 4.05Å; K286-W372 HydrophobicContact CD-CB 4.37Å; K286-W372 HydrophobicContact CD-CD2 3.65Å; K286-W372 HydrophobicContact CD-CE3 4.12Å; K286-W372 HydrophobicContact CD-CG 3.76Å; K286-W372 HydrophobicContact CD-CZ2 4.48Å; K286-W372 VanDerWaalsContact CE-NE1 3.29Å; K286-W372 HydrophobicContact CG-CD2 3.99Å; K286-W372 HydrophobicContact CG-CE3 4.19Å; K286-W372 HydrophobicContact CG-CH2 4.2Å; K286-W372 HydrophobicContact CG-CZ2 4Å; K286-W372 HydrophobicContact CG-CZ3 4.29Å; L290-W372 HydrophobicContact CD1-CD2 3.95Å; L290-W372 HydrophobicContact CD1-CE3 4.29Å; L290-W372 HydrophobicContact CD1-CG 4.41Å; L290-W372 HydrophobicContact CD1-CH2 4.34Å; L290-W372 HydrophobicContact CD1-CZ2 4Å; L290-W372 HydrophobicContact CD1-CZ3 4.48Å; L290-W372 HydrophobicContact CD2-CG 4.35Å; L290-W372 HydrophobicContact CG-CZ2 4.24Å; F308-W372 HydrophobicContact CB-CH2 3.86Å; F308-W372 HydrophobicContact CB-CZ2 4.33Å; T310-W372 HydrophobicContact CG2-CZ3 4.22Å; L315-W372 HydrophobicContact CD1-CZ3 4.16Å; F348-W372 HydrophobicContact CE1-CB 3.99Å; F348-W372 HydrophobicContact CE1-CG 4.4Å; F348-W372 HydrophobicContact CE2-CB 4.45Å; F348-W372 HydrophobicContact CZ-CB 3.77Å; F348-W372 HydrophobicContact CZ-CG 4.14Å; E368-W372 WeakPolarHBondContact O-CB 3.25Å; E368-W372 PolarHBondContact O-N 3.44Å; E368-W372 PolarHBondContact OE2-NE1 3.24Å; N369-W372 PolarHBondContact O-N 2.95Å; W372-C374 PolarHBondContact O-N 2.86Å; W372-A375 PolarHBondContact O-N 3.37Å; W372-I376 HydrophobicContact CE3-CD1 4.33Å; W372-I376 WeakPolarHBondContact O-CB 3.43Å; W372-I376 WeakPolarHBondContact O-CD1 3.37Å; W372-I376 WeakPolarHBondContact O-CG1 3.09Å; W372-I376 PolarHBondContact O-N 3.32Å
373I95.2Very high89.4Confident25 Ų2538.6 Ų38.613%0.12818%0.178CC..Hα-helixtrans-61.6-45177.3-66.5171.2000110.8V336 A338 F348 N369 E370 N377V336-I373 HydrophobicContact CG1-CG2 4.17Å; V336-I373 WeakPolarHBondContact CG1-O 3.29Å; V336-I373 HydrophobicContact CG2-CG1 4.15Å; A338-I373 HydrophobicContact CB-CD1 4.01Å; F348-I373 HydrophobicContact CB-CD1 3.9Å; F348-I373 HydrophobicContact CB-CG1 3.89Å; F348-I373 HydrophobicContact CD2-CG1 4.4Å; F348-I373 HydrophobicContact CG-CG1 4.08Å; N369-I373 VanDerWaalsContact O-CG1 3.31Å; N369-I373 WeakPolarHBondContact O-CG1 3.31Å; N369-I373 PolarHBondContact O-N 2.95Å; N369-I373 VanDerWaalsContact OD1-CD1 3.25Å; N369-I373 WeakPolarHBondContact OD1-CD1 3.42Å; E370-I373 PolarHBondContact O-N 3.34Å; I373-N377 WeakPolarHBondContact CG2-ND2 3.43Å; I373-N377 VanDerWaalsContact O-CB 3.32Å; I373-N377 WeakPolarHBondContact O-CB 3.32Å; I373-N377 PolarHBondContact O-N 2.89Å; I373-N377 PolarHBondContact O-ND2 3Å
374C93.8Very high87.1Confident27 Ų2744.2 Ų44.218%0.18220%0.199CC..Hα-helixtrans-63.7-46177.6-770000111.9R281 E370 E371 W372 I376 N377 N378R281-C374 HydrophobicContact CB-CB 4.42Å; E370-C374 WeakPolarHBondContact O-CB 3.5Å; E370-C374 PolarHBondContact O-N 3.39Å; E370-C374 PolarHBondContact O-SG 2.91Å; E370-C374 VanDerWaalsContact O-SG 3.36Å; E371-C374 PolarHBondContact O-N 3.47Å; W372-C374 PolarHBondContact O-N 2.86Å; C374-I376 PolarHBondContact O-N 3.44Å; C374-N377 PolarHBondContact O-N 3.1Å; C374-N378 WeakPolarHBondContact O-CB 3.22Å; C374-N378 PolarHBondContact O-N 3.39Å; C374-N378 PolarHBondContact O-ND2 3.26Å
375A93.2Very high84.9Confident0 Ų046.4 Ų46.40%021%0.213CC..Hα-helixtrans-60.5-48.2-179.600000112.1L283 K286 E371 W372 N377 N378 I379L283-A375 HydrophobicContact CB-CB 3.97Å; L283-A375 WeakPolarHBondContact O-CA 3.41Å; K286-A375 HydrophobicContact CB-CB 4.01Å; E371-A375 VanDerWaalsContact O-CB 3.26Å; E371-A375 WeakPolarHBondContact O-CB 3.35Å; E371-A375 PolarHBondContact O-N 3.45Å; W372-A375 PolarHBondContact O-N 3.37Å; A375-N377 PolarHBondContact O-N 2.74Å; A375-N378 PolarHBondContact O-N 2.82Å; A375-I379 WeakPolarHBondContact O-CD1 3.25Å; A375-I379 VanDerWaalsContact O-CG1 3.26Å; A375-I379 WeakPolarHBondContact O-CG1 3.41Å; A375-I379 PolarHBondContact O-N 2.91Å
376I93.1Very high82.9Confident0 Ų048.8 Ų48.80%023%0.227CC..Hα-helixtrans-64.4-41.7178.9-66.8158.4000110.9L331 V336 F348 I350 W372 C374 N378 I379 S380L331-I376 HydrophobicContact CD1-CG1 4.19Å; L331-I376 HydrophobicContact CD1-CG2 4.33Å; L331-I376 HydrophobicContact CD2-CG2 3.91Å; V336-I376 HydrophobicContact CB-CB 4.31Å; V336-I376 HydrophobicContact CB-CG2 3.79Å; V336-I376 HydrophobicContact CG1-CB 3.84Å; V336-I376 HydrophobicContact CG1-CG2 3.62Å; V336-I376 HydrophobicContact CG2-CD1 4.24Å; V336-I376 HydrophobicContact CG2-CG2 4.34Å; F348-I376 HydrophobicContact CE2-CD1 3.84Å; I350-I376 HydrophobicContact CD1-CD1 3.53Å; I350-I376 HydrophobicContact CD1-CG1 4.43Å; I350-I376 HydrophobicContact CD1-CG2 4.46Å; I350-I376 HydrophobicContact CG1-CD1 4.14Å; W372-I376 HydrophobicContact CE3-CD1 4.33Å; W372-I376 WeakPolarHBondContact O-CB 3.43Å; W372-I376 WeakPolarHBondContact O-CD1 3.37Å; W372-I376 WeakPolarHBondContact O-CG1 3.09Å; W372-I376 PolarHBondContact O-N 3.32Å; C374-I376 PolarHBondContact O-N 3.44Å; I376-N378 PolarHBondContact O-N 3.44Å; I376-I379 PolarHBondContact O-N 2.95Å; I376-S380 WeakPolarHBondContact O-CB 3.41Å; I376-S380 PolarHBondContact O-N 2.89Å
377N90.6Very high80.7Confident39 Ų3951.9 Ų51.921%0.20925%0.253CS..Hα-helixtrans-62.1-41175.1-86-49.2000112.4V336 I373 C374 A375 R381V336-N377 HydrophobicContact CG1-CB 4.23Å; V336-N377 VanDerWaalsContact CG1-ND2 3.3Å; V336-N377 WeakPolarHBondContact CG1-ND2 3.29Å; V336-N377 WeakPolarHBondContact CG1-OD1 3.47Å; I373-N377 WeakPolarHBondContact CG2-ND2 3.43Å; I373-N377 VanDerWaalsContact O-CB 3.32Å; I373-N377 WeakPolarHBondContact O-CB 3.32Å; I373-N377 PolarHBondContact O-N 2.89Å; I373-N377 PolarHBondContact O-ND2 3Å; C374-N377 PolarHBondContact O-N 3.1Å; A375-N377 PolarHBondContact O-N 2.74Å; N377-R381 WeakPolarHBondContact O-CB 3.38Å; N377-R381 VanDerWaalsContact O-CG 3.23Å; N377-R381 WeakPolarHBondContact O-CG 3.36Å; N377-R381 PolarHBondContact O-N 2.87Å
378N89.1Confident78.6Confident42 Ų4253 Ų5323%0.22526%0.261CS..Hα-helixtrans-65.6-42.4178.7-69.6-22.3000111.4R281 L283 C374 A375 I376 R381 Q382R281-N378 PolarHBondContact O-ND2 2.93Å; L283-N378 WeakPolarHBondContact O-CB 3.46Å; L283-N378 PolarHBondContact O-ND2 3.03Å; C374-N378 WeakPolarHBondContact O-CB 3.22Å; C374-N378 PolarHBondContact O-N 3.39Å; C374-N378 PolarHBondContact O-ND2 3.26Å; A375-N378 PolarHBondContact O-N 2.82Å; I376-N378 PolarHBondContact O-N 3.44Å; N378-R381 PolarHBondContact O-N 2.86Å; N378-Q382 WeakPolarHBondContact O-CB 3.19Å; N378-Q382 WeakPolarHBondContact O-CG 3.46Å; N378-Q382 PolarHBondContact O-N 2.93Å
379I87.8Confident76.6Confident3 Ų354.3 Ų54.32%0.01527%0.273CS..Hα-helixtrans-63.4-50.2176.5-67.1163.4000110.4I284 T310 L331 A375 I376 R381 Q382I284-I379 WeakPolarHBondContact O-CD1 3.5Å; I284-I379 WeakPolarHBondContact O-CG1 3.48Å; T310-I379 HydrophobicContact CG2-CD1 3.65Å; L331-I379 HydrophobicContact CB-CG2 4.1Å; L331-I379 HydrophobicContact CD1-CD1 4.17Å; L331-I379 HydrophobicContact CD1-CG2 4.19Å; A375-I379 WeakPolarHBondContact O-CD1 3.25Å; A375-I379 VanDerWaalsContact O-CG1 3.26Å; A375-I379 WeakPolarHBondContact O-CG1 3.41Å; A375-I379 PolarHBondContact O-N 2.91Å; I376-I379 PolarHBondContact O-N 2.95Å; I379-R381 VanDerWaalsContact C-N 3.3Å; I379-R381 PolarHBondContact O-N 2.81Å; I379-Q382 PolarHBondContact O-N 2.79Å
380S85.9Confident74.5Confident10 Ų1060.8 Ų60.87%0.0730%0.303CS..Hα-helixtrans-57.2-41.2177.61710000112L331 C334 I376 Y384L331-S380 WeakPolarHBondContact O-CB 3.11Å; C334-S380 PolarHBondContact N-OG 2.82Å; C334-S380 WeakPolarHBondContact O-CB 3.08Å; C334-S380 PolarHBondContact O-OG 3.01Å; I376-S380 WeakPolarHBondContact O-CB 3.41Å; I376-S380 PolarHBondContact O-N 2.89Å; S380-Y384 WeakPolarHBondContact O-CD2 3.46Å
381R77.4Confident72.5Confident153 Ų15360.9 Ų60.958%0.57731%0.312SS*.Hα-helixtrans-76.5-35.5180-73.1176.5-175.5-164.81.8114.6N377 N378 I379 I383 Y384 L385N377-R381 WeakPolarHBondContact O-CB 3.38Å; N377-R381 VanDerWaalsContact O-CG 3.23Å; N377-R381 WeakPolarHBondContact O-CG 3.36Å; N377-R381 PolarHBondContact O-N 2.87Å; N378-R381 PolarHBondContact O-N 2.86Å; I379-R381 VanDerWaalsContact C-N 3.3Å; I379-R381 PolarHBondContact O-N 2.81Å; R381-I383 PolarHBondContact O-N 3.05Å; R381-Y384 PolarHBondContact O-N 3.38Å; R381-Y384 VanDerWaalsContact O-N 3.09Å; R381-L385 HydrophobicContact CB-CD1 4.25Å; R381-L385 PolarHBondContact O-N 3.39Å
382Q65.7Low70.6Confident77 Ų7761.6 Ų61.636%0.3632%0.317SS..Hα-helixtrans-63.7-29.2-178.1-90.6-175.4-20.400112.7N378 I379 T386N378-Q382 WeakPolarHBondContact O-CB 3.19Å; N378-Q382 WeakPolarHBondContact O-CG 3.46Å; N378-Q382 PolarHBondContact O-N 2.93Å; I379-Q382 PolarHBondContact O-N 2.79Å; Q382-T386 PolarHBondContact O-OG1 3.37Å
383I56.7Low68.5Low33 Ų3364.1 Ų64.117%0.16934%0.338CS..Hα-helixtrans-71.4-33.6175.1-57.1165.1000110.9D332 R381D332-I383 HydrophobicContact CB-CD1 4.04Å; D332-I383 WeakPolarHBondContact OD1-CB 3.3Å; D332-I383 WeakPolarHBondContact OD1-CG2 3.3Å; R381-I383 PolarHBondContact O-N 3.05Å
384Y47.3Very low66.4Low122 Ų12268.1 Ų68.148%0.47836%0.359SS..Hα-helixtrans-89.5-26.1-174.1-88.3-94.2000116.3D332 N333 S380 R381D332-Y384 WeakPolarHBondContact OD1-CE2 3.49Å; N333-Y384 HydrophobicContact CB-CD2 4.13Å; N333-Y384 HydrophobicContact CB-CE1 4.36Å; N333-Y384 HydrophobicContact CB-CE2 3.17Å; N333-Y384 WeakPolarHBondContact CB-OH 3.1Å; N333-Y384 VanDerWaalsContact CG-CE2 3.42Å; N333-Y384 VanDerWaalsContact CG-OH 3.23Å; N333-Y384 PolarHBondContact ND2-OH 3.42Å; S380-Y384 WeakPolarHBondContact O-CD2 3.46Å; R381-Y384 PolarHBondContact O-N 3.38Å; R381-Y384 VanDerWaalsContact O-N 3.09Å
385L48.8Very low64.6Low142 Ų14274 Ų7474%0.74338%0.381SS*.SBendtrans-104.915-169.1-69.7170.1000114.5R381R381-L385 HydrophobicContact CB-CD1 4.25Å; R381-L385 PolarHBondContact O-N 3.39Å
386T51.7Low62.7Low60 Ų6075.3 Ų75.337%0.36839%0.388SS..SBendtrans-108133.2177.7-49.70000111.2Q382 N388 V392Q382-T386 PolarHBondContact O-OG1 3.37Å; T386-N388 PolarHBondContact O-N 2.91Å; T386-V392 HydrophobicContact CG2-CG2 3.51Å
387D47.3Very low60.7Low180 Ų18080 Ų8096%0.96341%0.413SS*.SBendtrans-61.7-5.4179.6-62.5-37.9000114.2
388N50.3Low58.7Low82 Ų8283.5 Ų83.544%0.43943%0.428SS..  trans-14488.3172.7-171.7-12.1000110.7T386 E390 A391T386-N388 PolarHBondContact O-N 2.91Å; N388-E390 VanDerWaalsContact C-N 3.3Å; N388-E390 PolarHBondContact O-N 2.92Å; N388-E390 PolarHBondContact OD1-N 2.91Å; N388-A391 HydrophobicContact CB-CB 4.26Å; N388-A391 PolarHBondContact O-N 3.48Å; N388-A391 PolarHBondContact OD1-N 3.42Å
389P52.9Low56.9Low71 Ų7184.7 Ų84.746%0.46144%0.437SS..Hα-helixtrans-65.1-28.9-177.524.1-32.6000113.3V392 A393P389-V392 PolarHBondContact O-N 3.1Å; P389-A393 WeakPolarHBondContact O-CB 3.43Å; P389-A393 PolarHBondContact O-N 2.82Å
390E50.1Low54.6Low150 Ų15085 Ų8570%0.70144%0.44SS*.Hα-helixtrans-65.3-42.9176.3-78.7-177.3156.100112.1N388 V392 A393 I394N388-E390 VanDerWaalsContact C-N 3.3Å; N388-E390 PolarHBondContact O-N 2.92Å; N388-E390 PolarHBondContact OD1-N 2.91Å; E390-V392 VanDerWaalsContact C-N 3.33Å; E390-V392 PolarHBondContact O-N 2.96Å; E390-A393 PolarHBondContact O-N 3.4Å; E390-I394 WeakPolarHBondContact O-CB 3.39Å; E390-I394 WeakPolarHBondContact O-CD1 3.26Å; E390-I394 WeakPolarHBondContact O-CG1 3.4Å; E390-I394 PolarHBondContact O-N 2.86Å
391A53Low52.3Low46 Ų4690 Ų9038%0.3847%0.465SS..Hα-helixtrans-66.8-31.7-179.600000113.3N388 K395N388-A391 HydrophobicContact CB-CB 4.26Å; N388-A391 PolarHBondContact O-N 3.48Å; N388-A391 PolarHBondContact OD1-N 3.42Å; A391-K395 WeakPolarHBondContact O-CB 3.12Å; A391-K395 PolarHBondContact O-N 3.5Å; A391-K395 VanDerWaalsContact O-N 3.12Å
392V55.8Low50.6Low31 Ų3189 Ų8919%0.18847%0.467CS..Hα-helixtrans-79.9-40.3177.6176.50000111.5T386 P389 E390 I394 K395 L396T386-V392 HydrophobicContact CG2-CG2 3.51Å; P389-V392 PolarHBondContact O-N 3.1Å; E390-V392 VanDerWaalsContact C-N 3.33Å; E390-V392 PolarHBondContact O-N 2.96Å; V392-I394 VanDerWaalsContact C-N 3.29Å; V392-I394 PolarHBondContact O-N 2.88Å; V392-K395 PolarHBondContact O-N 2.9Å; V392-L396 HydrophobicContact CG1-CD1 3.94Å; V392-L396 WeakPolarHBondContact O-CB 2.99Å; V392-L396 PolarHBondContact O-N 2.8Å
393A52.3Low49.3Very low54 Ų5489.1 Ų89.145%0.44648%0.481SS..Hα-helixtrans-59.1-42.317100000111.1P389 E390 K395 L396 N397P389-A393 WeakPolarHBondContact O-CB 3.43Å; P389-A393 PolarHBondContact O-N 2.82Å; E390-A393 PolarHBondContact O-N 3.4Å; A393-K395 PolarHBondContact O-N 3.12Å; A393-L396 PolarHBondContact O-N 3.25Å; A393-N397 WeakPolarHBondContact O-CB 3.25Å; A393-N397 PolarHBondContact O-N 3.17Å
394I51.8Low48.3Very low109 Ų10991.9 Ų91.956%0.55950%0.5SS*.Hα-helixtrans-60.4-44.9173.6-70163.4000111E390 V392 N397 Q398E390-I394 WeakPolarHBondContact O-CB 3.39Å; E390-I394 WeakPolarHBondContact O-CD1 3.26Å; E390-I394 WeakPolarHBondContact O-CG1 3.4Å; E390-I394 PolarHBondContact O-N 2.86Å; V392-I394 VanDerWaalsContact C-N 3.29Å; V392-I394 PolarHBondContact O-N 2.88Å; I394-N397 PolarHBondContact O-N 3.11Å; I394-Q398 VanDerWaalsContact O-CB 3.28Å; I394-Q398 WeakPolarHBondContact O-CB 3.21Å; I394-Q398 PolarHBondContact O-N 2.8Å
395K55.3Low47.3Very low149 Ų14990.2 Ų90.265%0.64850%0.502SS*.Hα-helixtrans-68.6-39.3-179.8-166.7176.2-178.5-179.20113.3A391 V392 A393 Q398 T399A391-K395 WeakPolarHBondContact O-CB 3.12Å; A391-K395 PolarHBondContact O-N 3.5Å; A391-K395 VanDerWaalsContact O-N 3.12Å; V392-K395 PolarHBondContact O-N 2.9Å; A393-K395 PolarHBondContact O-N 3.12Å; K395-Q398 PolarHBondContact O-N 3.11Å; K395-T399 PolarHBondContact O-N 3.39Å; K395-T399 PolarHBondContact O-OG1 2.85Å
396L53Low46.3Very low29 Ų2988.4 Ų88.415%0.15250%0.499CS..Hα-helixtrans-65.7-40.1173.5-84.9160.8000111.3V392 A393 T399 A400V392-L396 HydrophobicContact CG1-CD1 3.94Å; V392-L396 WeakPolarHBondContact O-CB 2.99Å; V392-L396 PolarHBondContact O-N 2.8Å; A393-L396 PolarHBondContact O-N 3.25Å; L396-T399 PolarHBondContact O-N 2.9Å; L396-A400 WeakPolarHBondContact O-CB 3.19Å; L396-A400 PolarHBondContact O-N 2.83Å
397N51.7Low45.2Very low97 Ų9792.7 Ų92.752%0.51952%0.518SS..Hα-helixtrans-70.6-34.6175.8-158.75.7000112.1A393 I394 A400 L401A393-N397 WeakPolarHBondContact O-CB 3.25Å; A393-N397 PolarHBondContact O-N 3.17Å; I394-N397 PolarHBondContact O-N 3.11Å; N397-A400 CarbonylContact O-C 3.19Å; N397-A400 WeakPolarHBondContact O-CB 3.48Å; N397-A400 PolarHBondContact O-N 2.74Å; N397-L401 WeakPolarHBondContact O-CG 3.37Å; N397-L401 PolarHBondContact O-N 2.89Å
398Q48.8Very low44.4Very low114 Ų11489.3 Ų89.353%0.53350%0.504SS..Hα-helixtrans-66.6-37.1174.2-152.5172.824.100112I394 K395 L401 Q402I394-Q398 VanDerWaalsContact O-CB 3.28Å; I394-Q398 WeakPolarHBondContact O-CB 3.21Å; I394-Q398 PolarHBondContact O-N 2.8Å; K395-Q398 PolarHBondContact O-N 3.11Å; Q398-L401 PolarHBondContact O-N 3.11Å; Q398-Q402 WeakPolarHBondContact O-CG 3.45Å; Q398-Q402 PolarHBondContact O-N 3.08Å
399T50.6Low43.4Very low66 Ų6690.1 Ų90.141%0.40552%0.516SS..Hα-helixtrans-70-36.7172.9-46.20000111K395 L396 Q402 A403K395-T399 PolarHBondContact O-N 3.39Å; K395-T399 PolarHBondContact O-OG1 2.85Å; L396-T399 PolarHBondContact O-N 2.9Å; T399-Q402 PolarHBondContact O-N 2.82Å; T399-A403 WeakPolarHBondContact O-CB 3.29Å; T399-A403 PolarHBondContact O-N 3.48Å
400A40.9Very low42.3Very low9 Ų996.1 Ų96.17%0.07454%0.535CS..Hα-helixtrans-64.6-39.3172.900000112.8Q311 L396 N397 A403 V404Q311-A400 HydrophobicContact CG-CB 3.51Å; Q311-A400 PolarHBondContact NE2-O 3.08Å; L396-A400 WeakPolarHBondContact O-CB 3.19Å; L396-A400 PolarHBondContact O-N 2.83Å; N397-A400 CarbonylContact O-C 3.19Å; N397-A400 WeakPolarHBondContact O-CB 3.48Å; N397-A400 PolarHBondContact O-N 2.74Å; A400-A403 PolarHBondContact O-N 2.79Å; A400-V404 VanDerWaalsContact O-CG2 3.26Å; A400-V404 WeakPolarHBondContact O-CG2 3.28Å; A400-V404 PolarHBondContact O-N 2.91Å
401L37.6Very low41.2Very low116 Ų11692.2 Ų92.261%0.60754%0.535SS*.Hα-helixtrans-64.2-39.3174.5-75.8164.5000111.8N397 Q398 A403 V404 T405N397-L401 WeakPolarHBondContact O-CG 3.37Å; N397-L401 PolarHBondContact O-N 2.89Å; Q398-L401 PolarHBondContact O-N 3.11Å; L401-A403 VanDerWaalsContact C-N 3.34Å; L401-V404 PolarHBondContact O-N 2.93Å; L401-T405 PolarHBondContact O-N 3.17Å; L401-T405 PolarHBondContact O-OG1 3.01Å
402Q40.3Very low40.1Very low132 Ų13299.8 Ų99.862%0.61756%0.559SS**Hα-helixtrans-70-28.6175.8-71.5176.8-3.500113.3Q398 T399 T405Q398-Q402 WeakPolarHBondContact O-CG 3.45Å; Q398-Q402 PolarHBondContact O-N 3.08Å; T399-Q402 PolarHBondContact O-N 2.82Å; Q402-T405 PolarHBondContact O-OG1 2.82Å
403A40.2Very low38.8Very low79 Ų79108.1 Ų108.165%0.65359%0.593SS**Hα-helixtrans-81.3-17177.700000114.2T399 A400 L401T399-A403 WeakPolarHBondContact O-CB 3.29Å; T399-A403 PolarHBondContact O-N 3.48Å; A400-A403 PolarHBondContact O-N 2.79Å; L401-A403 VanDerWaalsContact C-N 3.34Å
404V34.2Very low37.5Very low92 Ų92114.5 Ų114.556%0.55861%0.614SS**Hα-helixtrans-95.3-18.5177.7-177.30000112.5A400 L401 P406A400-V404 VanDerWaalsContact O-CG2 3.26Å; A400-V404 WeakPolarHBondContact O-CG2 3.28Å; A400-V404 PolarHBondContact O-N 2.91Å; L401-V404 PolarHBondContact O-N 2.93Å; V404-P406 WeakPolarHBondContact O-CD 3.35Å
405T27.6Very low36.3Very low87 Ų87118.4 Ų118.453%0.53463%0.63SS.*SBendtrans-69.2115.2162.323.40000108.6L401 Q402 I407L401-T405 PolarHBondContact O-N 3.17Å; L401-T405 PolarHBondContact O-OG1 3.01Å; Q402-T405 PolarHBondContact O-OG1 2.82Å; T405-I407 PolarHBondContact O-N 3.3Å; T405-I407 VanDerWaalsContact O-N 3.09Å
406P27Very low34.8Very low103 Ų103116.2 Ų116.267%0.66963%0.633SS**  trans-55124.9158.524.3-29.7000106.1V404 T408V404-P406 WeakPolarHBondContact O-CD 3.35Å; P406-T408 PolarHBondContact O-N 3.07Å
407I29.5Very low33.3Very low150 Ų150119.9 Ų119.977%0.76966%0.662SS**  trans-63.589.7162-59.4173.3000104.1T405 S409T405-I407 PolarHBondContact O-N 3.3Å; T405-I407 VanDerWaalsContact O-N 3.09Å; I407-S409 PolarHBondContact O-N 3.45Å
408T29.3Very low32Very low110 Ų110120.9 Ų120.968%0.67567%0.674SS**  trans-65.289.5156.653.10000104.4P406 F410P406-T408 PolarHBondContact O-N 3.07Å; T408-F410 PolarHBondContact O-N 3.42Å
409S30.1Very low31Very low99 Ų99120.5 Ų120.569%0.69268%0.682SS**  trans-69.467.3166.252.30000108.5I407 G411I407-S409 PolarHBondContact O-N 3.45Å; S409-G411 VanDerWaalsContact C-N 3.32Å
410F29.3Very low29.6Very low196 Ų196122.5 Ų122.586%0.8670%0.699SS**  trans-102.766148.2-78.1-77.7000106.3T408 K412T408-F410 PolarHBondContact O-N 3.42Å; F410-K412 PolarHBondContact O-N 2.88Å; F410-K412 VanDerWaalsContact O-N 3.1Å
411G27.9Very low28.9Very low68 Ų68131 Ų13170%0.70174%0.737SS**  trans-66.3105.9162.700000107.5S409 K413S409-G411 VanDerWaalsContact C-N 3.32Å; G411-K413 PolarHBondContact O-N 2.94Å; G411-K413 VanDerWaalsContact O-N 3.07Å
412K29.3Very low28.2Very low205 Ų205132.5 Ų132.589%0.89175%0.745SS**  trans-45.8117.5158.5-84.7177.9174.3174.40107.1F410 Q414F410-K412 PolarHBondContact O-N 2.88Å; F410-K412 VanDerWaalsContact O-N 3.1Å; K412-Q414 PolarHBondContact O-N 3.02Å
413K27.3Very low27.3Very low206 Ų206132.8 Ų132.890%0.89675%0.75SS**  trans-50.6108168.2-92176.2173.9172.50107.8G411 E415G411-K413 PolarHBondContact O-N 2.94Å; G411-K413 VanDerWaalsContact O-N 3.07Å; K413-E415 PolarHBondContact O-N 3.39Å
414Q26.6Very low26.5Very low188 Ų188137.7 Ų137.788%0.87976%0.757SS**  trans-76.5105.5165-148.917113.900105.7K412 S416K412-Q414 PolarHBondContact O-N 3.02Å; Q414-S416 PolarHBondContact O-N 3.39Å
415E26Very low26Very low191 Ų191140.9 Ų140.989%0.89377%0.771SS**  trans-60.3124.1168.8-75.4-176.4151.300109.1K413K413-E415 PolarHBondContact O-N 3.39Å
416S23.3Very low25.9Very low103 Ų103142.1 Ų142.172%0.7278%0.783SS**  trans-101.8130.817560.60000111.4Q414Q414-S416 PolarHBondContact O-N 3.39Å
417S22.4Very low25.6Very low107 Ų107146.1 Ų146.175%0.74879%0.793SS**  trans81.1135.814981.10000117.2
418C22.7Very low25.3Very low117 Ų117146.8 Ų146.879%0.79180%0.795SS**  cis-178.7-171.98.9-117.30000107
419P28.5Very low25Very low106 Ų106148.7 Ų148.769%0.68880%0.796SS**  -131.5168.9-77.934.7-13000114.8
420S21.7Very low24.7Very low108 Ų108150 Ų15076%0.75580%0.796SS**  trans61.4118.6149.3-56.20000121.5
421Q25.5Very low24.4Very low187 Ų187148 Ų14887%0.87479%0.789SS**  173.6117.5112.1-92.9177.55.200113.3
422N22.5Very low24.2Very low148 Ų148151.3 Ų151.379%0.79179%0.79SS**  trans32.3133.7131.3-87.6-15.8000123.3
423L23.3Very low24Very low138 Ų138149 Ų14972%0.72379%0.788SS**  trans106.2115.7137.4-69.9148.4000120.4
424K22.9Very low24Very low183 Ų183148 Ų14880%0.79678%0.783SS**  trans83.9119.6130.6-79.1176.5176.9179.90121.8
425N22.7Very low24.1Very low159 Ų159146.8 Ų146.885%0.8578%0.781SS**  trans14.9129.7132-65.55.7000119.2
426S25.1Very low24.1Very low113 Ų113144 Ų14479%0.7978%0.777SS**  -173.6116.5119.953.30000112.5
427E22.2Very low24.3Very low186 Ų186144.7 Ų144.787%0.86978%0.779SS**  trans22.3118.5131-68.9171.5173.400120.9
428M23.1Very low24.3Very low165 Ų165149.2 Ų149.281%0.81379%0.785SS**  74.5135113.9-125.7176.8172.800122.3
429E23.1Very low24.5Very low150 Ų150148.5 Ų148.570%0.70179%0.787SS**  trans82.4134.7156.5-54.8-167.7173.500117.6
430N23.2Very low24.4Very low127 Ų127149.7 Ų149.768%0.67979%0.793SS**  cis-166.2156.56-117.4-21.3000111.5
431E23.4Very low24.8Very low154 Ų154149.7 Ų149.772%0.7280%0.799SS**  trans69.3112.9147.2-68.9-162.8131.600124.5
432N24.4Very low25.1Very low137 Ų137145.9 Ų145.973%0.73379%0.794SS**  53.2112.1125.6-64.3-26.6000120.1
433D25.1Very low25.8Very low156 Ų156146.1 Ų146.183%0.83479%0.794SS**  -161.5151.8104.8-124.5-24.6000113.8
434K27.3Very low26.8Very low184 Ų184142.2 Ų142.280%0.878%0.777SS**  trans-58.5146.2-175.9-68163.5173.9171.10113.5
435I27.1Very low28.2Very low164 Ų164140.4 Ų140.484%0.84177%0.771SS**  -174.6126.3122.9-86.8145.2000108.8
436V26.1Very low29.7Very low132 Ų132134.9 Ų134.980%0.875%0.748SS**PPolyproline II helixtrans-72.3127.8173.9173.30000109.7
437P27.2Very low31.2Very low118 Ų118135.7 Ų135.777%0.76674%0.739SS**PPolyproline II helixtrans-88124.6158.73.615.6000109.4A439P437-A439 PolarHBondContact O-N 2.87Å
438K24.1Very low33.3Very low202 Ų202132.8 Ų132.888%0.87873%0.725SS**PPolyproline II helixtrans-53.1124.2167-111.9174.2171.5179.70109.4T440K438-T440 PolarHBondContact O-N 2.99Å
439A26.9Very low35.9Very low101 Ų101125.6 Ų125.684%0.83569%0.69SS**  trans-64.7113.6172.100000110.4P437P437-A439 PolarHBondContact O-N 2.87Å
440T26.5Very low38.6Very low132 Ų132118.6 Ų118.681%0.8166%0.658SS**  trans-65123.6153.9230000108.2K438 S442K438-T440 PolarHBondContact O-N 2.99Å; T440-S442 PolarHBondContact O-N 3.21Å; T440-S442 VanDerWaalsContact O-N 3.13Å
441A29.8Very low41.1Very low107 Ų107114.2 Ų114.288%0.88464%0.639SS**  trans-65.1108.7174.800000109.6
442S31.7Very low43.1Very low108 Ų108111.8 Ų111.876%0.75564%0.637SS**PPolyproline II helixtrans-75.3135.6166.847.40000109.5T440T440-S442 PolarHBondContact O-N 3.21Å; T440-S442 VanDerWaalsContact O-N 3.13Å
443L36.8Very low45.2Very low152 Ų152109.1 Ų109.180%0.79664%0.641SS**PPolyproline II helixtrans-57.2131.8166.9-77.4141.8000109.1
444P43.6Very low47.9Very low56 Ų56103.1 Ų103.136%0.36461%0.611SS.*PPolyproline II helixtrans-66.1135.2177.524.9-30.6000110.3E448 L449P444-E448 HydrophobicContact CB-CB 4.38Å; P444-E448 WeakPolarHBondContact CB-OE2 3.31Å; P444-L449 HydrophobicContact CG-CD2 4.34Å
445E52.3Low50.5Low145 Ų14599.6 Ų99.668%0.67861%0.606SS**PPolyproline II helixtrans-62.8146.8175.6-72.5-179.8157.200110.1E447 E448E445-E447 PolarHBondContact O-N 3.04Å; E445-E448 WeakPolarHBondContact O-CB 3.27Å; E445-E448 PolarHBondContact O-N 3Å
446A54.8Low53.3Low43 Ų4393.8 Ų93.836%0.35558%0.577SS.*Hα-helixtrans-55.1-23.6-175.300000114.2E448 L449 I450A446-E448 VanDerWaalsContact C-N 3.32Å; A446-E448 PolarHBondContact O-N 3.12Å; A446-L449 PolarHBondContact O-N 3.09Å; A446-I450 PolarHBondContact O-N 3.34Å
447E57.1Low56.1Low130 Ų13091.4 Ų91.461%0.60756%0.557SS**Hα-helixtrans-72.1-21.3177.3-62.6-178.3172.100113.6E445 P452 K511E445-E447 PolarHBondContact O-N 3.04Å; E447-P452 HydrophobicContact CG-CG 4.31Å; E447-K511 PolarHBondContact O-NZ 3.01Å
448E66.1Low58.9Low125 Ų12587.9 Ų87.958%0.58453%0.529SS*.Hα-helixtrans-78.3-27.9175.2-67.9-169.5149.100112.4P444 E445 A446 K511P444-E448 HydrophobicContact CB-CB 4.38Å; P444-E448 WeakPolarHBondContact CB-OE2 3.31Å; E445-E448 WeakPolarHBondContact O-CB 3.27Å; E445-E448 PolarHBondContact O-N 3Å; A446-E448 VanDerWaalsContact C-N 3.32Å; A446-E448 PolarHBondContact O-N 3.12Å; E448-K511 WeakPolarHBondContact O-CD 3.4Å
449L77.8Confident61.4Low14 Ų1482.9 Ų82.97%0.07351%0.513CS..Hα-helixtrans-88.5-43.5-174.9-62.1177.8000113.1P444 A446 K511 T512 E517 V518P444-L449 HydrophobicContact CG-CD2 4.34Å; A446-L449 PolarHBondContact O-N 3.09Å; L449-K511 WeakPolarHBondContact O-CB 3.33Å; L449-K511 PolarHBondContact O-N 3.2Å; L449-T512 HydrophobicContact CD2-CG2 3.6Å; L449-E517 HydrophobicContact CD1-CB 4.3Å; L449-V518 HydrophobicContact CB-CG2 4.42Å
450I79.1Confident63.6Low3 Ų379.7 Ų79.72%0.01548%0.481CS..SBendtrans-132.8132.5179.8-67.2160.2000108.8A446 M508 V510 E521 A522A446-I450 PolarHBondContact O-N 3.34Å; I450-M508 HydrophobicContact CD1-SD 3.55Å; I450-M508 VanDerWaalsContact CD1-SD 3.55Å; I450-M508 HydrophobicContact CG1-SD 4.32Å; I450-M508 HydrophobicContact CG2-SD 4.29Å; I450-V510 HydrophobicContact CD1-CG1 4.36Å; I450-V510 HydrophobicContact CG1-CB 4.49Å; I450-V510 HydrophobicContact CG1-CG1 4Å; I450-E521 HydrophobicContact CD1-CB 4.3Å; I450-E521 HydrophobicContact CD1-CG 3.95Å; I450-A522 HydrophobicContact CD1-CB 4.11Å
451A76.3Confident64.9Low35 Ų3577 Ų7729%0.28947%0.465SS..  trans-67.7133.317900000110.6G453 T454 K511A451-G453 PolarHBondContact O-N 3.26Å; A451-T454 WeakPolarHBondContact O-CB 3.48Å; A451-T454 PolarHBondContact O-N 2.83Å; A451-T454 VanDerWaalsContact O-N 3.12Å; A451-T454 PolarHBondContact O-OG1 2.81Å; A451-K511 VanDerWaalsContact CB-CE 3.48Å
452P65.8Low65.3Low103 Ų10377.4 Ų77.467%0.66945%0.451SS*.THydrogen-bonded Turntrans-54.2128.3171-25.934.5000111.3E447E447-P452 HydrophobicContact CG-CG 4.31Å
453G68.3Low65.2Low81 Ų8178 Ų7884%0.83545%0.452SS*.THydrogen-bonded Turntrans86.79.1-178.600000115.7A451A451-G453 PolarHBondContact O-N 3.26Å
454T81.8Confident64.8Low31 Ų3174.1 Ų74.119%0.1944%0.442CS..PPolyproline II helixtrans-59.9127.1173-57.80000110.4A451 M508 A509A451-T454 WeakPolarHBondContact O-CB 3.48Å; A451-T454 PolarHBondContact O-N 2.83Å; A451-T454 VanDerWaalsContact O-N 3.12Å; A451-T454 PolarHBondContact O-OG1 2.81Å; T454-M508 HydrophobicContact CG2-CB 4.47Å; T454-A509 HydrophobicContact CG2-CB 4.03Å
455P80.6Confident64.2Low109 Ų10976.2 Ų76.271%0.70845%0.454SS*.PPolyproline II helixtrans-67.1141.5-179.126.9-33.9000111.5
456I86.1Confident63.4Low42 Ų4276.6 Ų76.622%0.21546%0.456CS..EExtended strand (participates in β ladder)trans-103.7126.6175.9-54.8-176.4000108.8F458 M508 Q525 V526 A529I456-F458 HydrophobicContact CB-CE2 4.24Å; I456-F458 HydrophobicContact CB-CZ 3.97Å; I456-F458 HydrophobicContact CG2-CD1 4.22Å; I456-F458 HydrophobicContact CG2-CE1 3.56Å; I456-F458 HydrophobicContact CG2-CE2 4.08Å; I456-F458 HydrophobicContact CG2-CZ 3.5Å; I456-F458 VanDerWaalsContact CG2-CZ 3.5Å; I456-M508 HydrophobicContact CD1-CE 3.48Å; I456-M508 VanDerWaalsContact CD1-CE 3.48Å; I456-M508 HydrophobicContact CG1-CE 3.45Å; I456-M508 VanDerWaalsContact CG1-CE 3.45Å; I456-Q525 HydrophobicContact CD1-CB 4.42Å; I456-V526 HydrophobicContact CG2-CG2 3.93Å; I456-A529 HydrophobicContact CD1-CB 3.56Å
457Q85.3Confident62.2Low83 Ų8383 Ų8339%0.38848%0.476SS..EExtended strand (participates in β ladder)trans-99.2124.2178-179.8173.1-0.300109.9D459 G506 S507Q457-D459 WeakPolarHBondContact CG-O 3.36Å; Q457-D459 PolarHBondContact NE2-O 2.91Å; Q457-G506 CarbonylContact O-C 3.46Å; Q457-G506 WeakPolarHBondContact O-CA 3.46Å; Q457-S507 PolarHBondContact N-O 2.83Å; Q457-S507 PolarHBondContact O-N 3.38Å
458F85.8Confident60.9Low43 Ų4383.7 Ų83.719%0.18948%0.483CS..  trans-100.7-8.9-178.3-62.7-67.8000114.1I456 L505 V526 A529 R530 I535I456-F458 HydrophobicContact CB-CE2 4.24Å; I456-F458 HydrophobicContact CB-CZ 3.97Å; I456-F458 HydrophobicContact CG2-CD1 4.22Å; I456-F458 HydrophobicContact CG2-CE1 3.56Å; I456-F458 HydrophobicContact CG2-CE2 4.08Å; I456-F458 HydrophobicContact CG2-CZ 3.5Å; I456-F458 VanDerWaalsContact CG2-CZ 3.5Å; F458-L505 WeakPolarHBondContact CD1-O 3.31Å; F458-V526 HydrophobicContact CE1-CG1 4.43Å; F458-A529 HydrophobicContact CZ-CB 3.9Å; F458-R530 HydrophobicContact CD1-CG 3.86Å; F458-R530 HydrophobicContact CE1-CG 3.39Å; F458-R530 HydrophobicContact CZ-CG 4.24Å; F458-I535 HydrophobicContact CD1-CD1 4.18Å; F458-I535 HydrophobicContact CD2-CD1 3.27Å; F458-I535 HydrophobicContact CE1-CD1 4.23Å; F458-I535 HydrophobicContact CE2-CD1 3.3Å; F458-I535 HydrophobicContact CG-CD1 3.72Å; F458-I535 HydrophobicContact CZ-CD1 3.8Å
459D77.8Confident59.3Low98 Ų9885 Ų8552%0.52449%0.494SS..  trans-121.5126176.9-74.6-48.3000110.2Q457 V461Q457-D459 WeakPolarHBondContact CG-O 3.36Å; Q457-D459 PolarHBondContact NE2-O 2.91Å; D459-V461 PolarHBondContact O-N 2.86Å
460I71.9Confident57.2Low33 Ų3392.2 Ų92.217%0.16953%0.528CS..SBendtrans-770.6-178-157.5159.5000113.5F504 L552 A562 F564 Y600 F602I460-F504 HydrophobicContact CB-CD1 4.04Å; I460-F504 HydrophobicContact CB-CE1 3.99Å; I460-F504 HydrophobicContact CB-CG 4.4Å; I460-F504 HydrophobicContact CB-CZ 4.31Å; I460-F504 HydrophobicContact CD1-CD2 4.16Å; I460-F504 HydrophobicContact CD1-CE2 4.18Å; I460-F504 HydrophobicContact CD1-CG 4.5Å; I460-L552 HydrophobicContact CD1-CD1 3.37Å; I460-A562 HydrophobicContact CD1-CB 4.16Å; I460-A562 HydrophobicContact CG1-CB 4.38Å; I460-F564 HydrophobicContact CD1-CZ 4.46Å; I460-Y600 HydrophobicContact CD1-CD1 4.3Å; I460-Y600 HydrophobicContact CD1-CE1 4.42Å; I460-F602 HydrophobicContact CD1-CZ 4.48Å
461V54.8Low54.7Low77 Ų7799.7 Ų99.747%0.46757%0.568SS.*  trans-110.3113.8-174.9-169.70000109.9D459D459-V461 PolarHBondContact O-N 2.86Å
462L37.5Very low52.6Low115 Ų115109.6 Ų109.660%0.60260%0.597SS**  trans-72.3131.5159.6-78.5163.2000108.1A464L462-A464 PolarHBondContact O-N 3.46Å
463P29.3Very low50.8Low119 Ų119108.5 Ų108.577%0.77361%0.605SS**THydrogen-bonded Turntrans-62.60.4176.6-21.731.7000115.5
464A28.4Very low49Very low72 Ų72110 Ų11060%0.59560%0.603SS**THydrogen-bonded Turntrans-106.6-6.4-163.400000115.7L462L462-A464 PolarHBondContact O-N 3.46Å
465T32.2Very low46.6Very low99 Ų99120.4 Ų120.461%0.60764%0.638SS**SBendtrans-95.2-11.5-176.939.10000114.9F467T465-F467 PolarHBondContact O-N 2.92Å
466E34.3Very low44.5Very low154 Ų154126.6 Ų126.672%0.7265%0.648SS**THydrogen-bonded Turntrans-71.1-11.1177.1-73.1-175.1161.100114.2
467F30Very low41.8Very low176 Ų176131.7 Ų131.777%0.77268%0.681SS**THydrogen-bonded Turntrans-100.6-2.6-173.8-85.4-82.2000116.2T465T465-F467 PolarHBondContact O-N 2.92Å
468L30.8Very low39.3Very low146 Ų146134.5 Ų134.576%0.76470%0.699SS**THydrogen-bonded Turntrans-102.4-19.5-178.1-82.5160.8000114.9
469D31.7Very low37.1Very low153 Ų153137.4 Ų137.482%0.81872%0.722SS**G310 helixtrans-91.9-4.3-177.9-84.8-19.8000115.2N471D469-N471 VanDerWaalsContact C-N 3.27Å; D469-N471 PolarHBondContact O-N 3.11Å
470Q32.8Very low35.1Very low165 Ų165141.7 Ų141.777%0.77174%0.736SS**G310 helixtrans-80.42177.4-74.8-172.210.400115
471N28.3Very low33.9Very low160 Ų160143.9 Ų143.986%0.85677%0.767SS**G310 helixtrans-11436.3-176.8-106-5.5000115.1D469D469-N471 VanDerWaalsContact C-N 3.27Å; D469-N471 PolarHBondContact O-N 3.11Å
472R30.5Very low33.1Very low242 Ų242149.4 Ų149.491%0.91379%0.788SS**SBendtrans-133.4104.9157.6-76.1-171.3173.3179.40111.4
473G29.4Very low32.8Very low80 Ų80150.8 Ų150.883%0.82580%0.801SS**  trans90.183.7151.600000116.9R475G473-R475 PolarHBondContact O-N 2.82Å
474S30.8Very low33.2Very low113 Ų113154.2 Ų154.279%0.7981%0.807SS**  trans-60.2126.4162.3-162.50000111.8
475R30.1Very low33.1Very low249 Ų249157.7 Ų157.794%0.9482%0.815SS**  trans-135.3120.4151.9-85.8-170.5176.3177.5-0110.6G473G473-R475 PolarHBondContact O-N 2.82Å
476R37.1Very low33.1Very low239 Ų239161.3 Ų161.390%0.90283%0.826SS**PPolyproline II helixtrans-71.8135.2178.4-69.3173.9169.6-179.7-4.4110.8
477T29.8Very low32.6Very low149 Ų149158 Ų15891%0.91482%0.819SS**PPolyproline II helixtrans-78.7133169.2-3.30000110.7
478N31.8Very low32.5Very low142 Ų142157.2 Ų157.276%0.75982%0.816SS**PPolyproline II helixtrans-96.7149.1172.2-157.426.4000109.4F480N478-F480 PolarHBondContact O-N 3.01Å
479P39.2Very low32.7Very low105 Ų105156.1 Ų156.168%0.68282%0.818SS**SBendtrans-96.424.7-161.237.4-31.5000115.1
480F36.8Very low32.7Very low187 Ų187156.1 Ų156.182%0.8281%0.812SS**SBendtrans-129.6108.8170.8-77.8-83.9000108.3N478 E482N478-F480 PolarHBondContact O-N 3.01Å; F480-E482 PolarHBondContact O-N 2.81Å
481G46.4Very low32.8Very low79 Ų79153.5 Ų153.581%0.81482%0.819SS**  trans-63.4123.9-177.700000111.8
482E37.4Very low33Very low194 Ų194152.9 Ų152.991%0.90781%0.811SS**  trans159.9112.2135-90.5178.3-176.100107.9F480F480-E482 PolarHBondContact O-N 2.81Å
483T31.9Very low33.7Very low144 Ų144147.4 Ų147.488%0.88380%0.8SS**  trans-144.1126148.744.50000108.1D485T483-D485 PolarHBondContact O-N 3.31Å
484E37.4Very low35Very low190 Ų190146.1 Ų146.189%0.88878%0.778SS**  trans-50.3120.1171.5-61.4169.415100110.9
485D26.4Very low36.6Very low145 Ų145143.7 Ų143.778%0.77576%0.756SS**  trans-162.182.1148.9-103.8-24.6000106.4T483 S487T483-D485 PolarHBondContact O-N 3.31Å; D485-S487 PolarHBondContact O-N 2.94Å
486E31.5Very low38.7Very low176 Ų176131.8 Ų131.882%0.82271%0.711SS**  trans-6573.9154.3-82.8-98.915200107.4F488E486-F488 WeakPolarHBondContact OE2-CE2 3.45Å
487S25.2Very low40.8Very low84 Ų84126.3 Ų126.359%0.58770%0.696SS**  trans-115.383160.850.90000107.1D485D485-S487 PolarHBondContact O-N 2.94Å
488F27.6Very low43.3Very low160 Ų160120.4 Ų120.470%0.70266%0.658SS**  trans-45.1131.2146.7-73.8-90.1000106.9E486 E490E486-F488 WeakPolarHBondContact OE2-CE2 3.45Å; F488-E490 PolarHBondContact O-N 3.5Å
489P34.7Very low45.9Very low123 Ų123119 Ų11980%0.79965%0.648SS**SBendtrans-59.2114.2168.723.3-25.7000106.1
490E30.8Very low48.3Very low152 Ų152114.6 Ų114.671%0.7162%0.618SS**  trans-17.2122-179.1-71.9157.2155.100114.1F488 E492F488-E490 PolarHBondContact O-N 3.5Å; E490-E492 HydrophobicContact CB-CB 4.46Å; E490-E492 HydrophobicContact CB-CG 4.1Å; E490-E492 PolarHBondContact O-N 2.92Å
491A34.9Very low50.9Low110 Ų110108.1 Ų108.191%0.90959%0.592SS**  trans-65.162.6155.900000109.8D493A491-D493 PolarHBondContact O-N 3.07Å
492E34.2Very low53.2Low148 Ų148104.4 Ų104.469%0.69255%0.553SS**  trans-85.2103.5165.1-85.6-171.2169.200108.5E490E490-E492 HydrophobicContact CB-CB 4.46Å; E490-E492 HydrophobicContact CB-CG 4.1Å; E490-E492 PolarHBondContact O-N 2.92Å
493D45.3Very low55.8Low127 Ų12798.6 Ų98.668%0.67952%0.523SS*.  trans4574.3149.2-69.1-16.3000118.4A491A491-D493 PolarHBondContact O-N 3.07Å
494S55.8Low58.7Low52 Ų5292.1 Ų92.136%0.36448%0.482SS..  trans-119.896.8150.3-143.20000110.6L496 T546 S547S494-L496 PolarHBondContact O-N 3.08Å; S494-L496 PolarHBondContact OG-O 3.26Å; S494-T546 WeakPolarHBondContact OG-CB 3.09Å; S494-S547 PolarHBondContact OG-N 2.83Å; S494-S547 VanDerWaalsContact OG-N 3.11Å; S494-S547 PolarHBondContact OG-OG 3Å
495L63.8Low61.1Low62 Ų6283.3 Ų83.333%0.32544%0.441SS..SBendtrans-54.5-8.4169.7-67.5159.7000113.1I621 L631 M635 Y646L495-I621 HydrophobicContact CB-CD1 4.24Å; L495-I621 HydrophobicContact CB-CG2 4.27Å; L495-I621 HydrophobicContact CD1-CG2 3.89Å; L495-L631 HydrophobicContact CD1-CD1 4.01Å; L495-L631 HydrophobicContact CD1-CD2 3.93Å; L495-M635 HydrophobicContact CD2-SD 4.48Å; L495-Y646 WeakPolarHBondContact O-CE2 3.12Å; L495-Y646 VanDerWaalsContact O-CZ 3.3Å; L495-Y646 PolarHBondContact O-OH 3.41Å
496L74.5Confident64.2Low0 Ų076.4 Ų76.40%040%0.404CS..  trans-142.4123.5176.1-179.866.8000109S494 Q498 V545 T546 S547 A614 L617 I621S494-L496 PolarHBondContact O-N 3.08Å; S494-L496 PolarHBondContact OG-O 3.26Å; L496-Q498 HydrophobicContact CD1-CG 3.93Å; L496-V545 HydrophobicContact CD2-CG1 4.36Å; L496-T546 VanDerWaalsContact O-CA 3.25Å; L496-T546 WeakPolarHBondContact O-CA 3.45Å; L496-S547 PolarHBondContact O-N 2.93Å; L496-A614 VanDerWaalsContact CD2-O 3.26Å; L496-A614 WeakPolarHBondContact CD2-O 3.2Å; L496-L617 HydrophobicContact CD1-CD2 3.76Å; L496-L617 HydrophobicContact CD1-CG 4.35Å; L496-L617 HydrophobicContact CD2-CB 4.37Å; L496-L617 HydrophobicContact CD2-CG 4.31Å; L496-I621 HydrophobicContact CB-CD1 3.8Å; L496-I621 HydrophobicContact CD2-CD1 4.45Å
497Q81.5Confident67Low123 Ų12368.3 Ų68.358%0.57537%0.367SS*.EExtended strand (participates in β ladder)trans-141.1103.9168.5-170.6179.925.500108.9M544 V545Q497-M544 HydrophobicContact CG-CG 4.32Å; Q497-M544 HydrophobicContact CG-SD 4.24Å; Q497-M544 PolarHBondContact NE2-SD 3.48Å; Q497-V545 WeakPolarHBondContact CA-O 3.24Å
498Q82.1Confident70.1Confident26 Ų2664.6 Ų64.612%0.12134%0.341CS..EExtended strand (participates in β ladder)trans-122.9136.3177.4-65.1-170.2900110.4L496 F500 M544 V545 A614L496-Q498 HydrophobicContact CD1-CG 3.93Å; Q498-F500 HydrophobicContact CB-CE2 3.7Å; Q498-F500 HydrophobicContact CB-CZ 4.04Å; Q498-M544 CarbonylContact O-C 3.51Å; Q498-M544 WeakPolarHBondContact O-CA 3.33Å; Q498-V545 PolarHBondContact N-O 2.84Å; Q498-V545 PolarHBondContact O-N 2.87Å; Q498-A614 HydrophobicContact CB-CB 4.44Å; Q498-A614 VanDerWaalsContact OE1-CB 3.27Å
499M86.4Confident73.1Confident113 Ų11359.4 Ų59.456%0.55733%0.328SS*.EExtended strand (participates in β ladder)trans-116.5131.1-177.8-176.1-176.272.300110.2H542 L543M499-H542 HydrophobicContact CG-CB 4.14Å; M499-H542 HydrophobicContact SD-CB 4.17Å; M499-L543 WeakPolarHBondContact CA-O 3.15Å
500F90.4Very high75.7Confident12 Ų1254.2 Ų54.25%0.05329%0.294CS..EExtended strand (participates in β ladder)trans-127.2143.6178.1-57.2-86.5000110.3Q498 V502 H542 L543 V545 K610 I611 A614Q498-F500 HydrophobicContact CB-CE2 3.7Å; Q498-F500 HydrophobicContact CB-CZ 4.04Å; F500-V502 HydrophobicContact CB-CG1 4.34Å; F500-H542 CarbonylContact O-C 3.52Å; F500-H542 WeakPolarHBondContact O-CA 3.19Å; F500-L543 HydrophobicContact CB-CB 4.49Å; F500-L543 PolarHBondContact N-O 3.42Å; F500-L543 PolarHBondContact O-N 2.7Å; F500-V545 HydrophobicContact CD2-CG2 4.04Å; F500-V545 HydrophobicContact CE2-CG2 3.9Å; F500-K610 HydrophobicContact CE1-CB 3.89Å; F500-K610 HydrophobicContact CZ-CB 4.42Å; F500-I611 HydrophobicContact CB-CD1 3.98Å; F500-I611 HydrophobicContact CB-CG1 4Å; F500-I611 HydrophobicContact CD1-CD1 4.34Å; F500-I611 HydrophobicContact CD1-CG1 3.63Å; F500-I611 HydrophobicContact CD2-CG1 3.76Å; F500-I611 HydrophobicContact CE1-CG1 3.97Å; F500-I611 HydrophobicContact CE2-CG1 4.08Å; F500-I611 HydrophobicContact CG-CD1 4.07Å; F500-I611 HydrophobicContact CG-CG1 3.51Å; F500-I611 HydrophobicContact CZ-CG1 4.17Å; F500-A614 HydrophobicContact CE2-CB 3.91Å; F500-A614 HydrophobicContact CZ-CB 4.04Å
501I90.8Very high78.3Confident51 Ų5152.5 Ų52.526%0.26228%0.284SS..EExtended strand (participates in β ladder)trans-89.4122.3172.3-51-180000107.6E540 N605I501-E540 HydrophobicContact CG2-CG 3.57Å; I501-N605 HydrophobicContact CB-CB 4.35Å; I501-N605 WeakPolarHBondContact CB-ND2 3.41Å; I501-N605 PolarHBondContact O-N 2.89Å; I501-N605 PolarHBondContact O-OD1 2.87Å; I501-N605 VanDerWaalsContact O-OD1 3.09Å
502V93.6Very high80.6Confident1 Ų148.8 Ų48.81%0.00625%0.25CS..EExtended strand (participates in β ladder)trans-131.5154.6-177.4-59.60000111.3F500 E540 S541 L543 L552 F602 E603 I611F500-V502 HydrophobicContact CB-CG1 4.34Å; V502-E540 CarbonylContact O-C 3.52Å; V502-E540 WeakPolarHBondContact O-CA 3.16Å; V502-S541 PolarHBondContact N-O 2.62Å; V502-S541 PolarHBondContact O-N 3.13Å; V502-S541 VanDerWaalsContact O-O 3.1Å; V502-L543 HydrophobicContact CG1-CB 3.96Å; V502-L543 HydrophobicContact CG1-CD2 4.14Å; V502-L543 HydrophobicContact CG2-CB 3.7Å; V502-L552 HydrophobicContact CG2-CD2 3.72Å; V502-F602 HydrophobicContact CB-CB 4.22Å; V502-F602 HydrophobicContact CB-CD1 4.23Å; V502-F602 HydrophobicContact CG2-CD1 3.89Å; V502-F602 HydrophobicContact CG2-CE1 4.46Å; V502-E603 CarbonylContact C-O 3.37Å; V502-E603 VanDerWaalsContact CA-O 3.29Å; V502-E603 WeakPolarHBondContact CA-O 3.2Å; V502-I611 HydrophobicContact CG1-CD1 3.89Å
503R92.8Very high83Confident72 Ų7243.2 Ų43.227%0.27223%0.225SC..EExtended strand (participates in β ladder)trans-117.5123.9172.4-62.3-171.5-175.193.815108.9L505 M538 T539 E540 F602 E603R503-L505 PolarHBondContact O-N 2.84Å; R503-M538 HydrophobicContact CB-CB 4.16Å; R503-M538 HydrophobicContact CB-SD 4.44Å; R503-T539 WeakPolarHBondContact CA-O 3.47Å; R503-E540 HydrophobicContact CG-CB 4.39Å; R503-E540 HydrophobicContact CG-CG 4.46Å; R503-E540 IonicContact CZ-OE2 3.47Å; R503-E540 IonicContact NE-OE2 3.7Å; R503-E540 PolarHBondContact NE-OE2 3.41Å; R503-E540 IonicContact NH2-OE2 3Å; R503-E540 PolarHBondContact NH2-OE2 3.44Å; R503-F602 CarbonylContact O-C 3.5Å; R503-F602 VanDerWaalsContact O-CA 3.26Å; R503-F602 WeakPolarHBondContact O-CA 3.25Å; R503-E603 HydrophobicContact CB-CB 4.33Å; R503-E603 PolarHBondContact N-O 3.4Å; R503-E603 IonicContact NH1-OE2 3.74Å; R503-E603 PolarHBondContact NH1-OE2 3.47Å; R503-E603 PolarHBondContact O-N 2.88Å
504F92.3Very high84.9Confident8 Ų841.1 Ų41.14%0.03522%0.22CC..EExtended strand (participates in β ladder)trans-70.3124.9177.3-178.9-116.3000110.2I460 G506 T539 Y600 F602I460-F504 HydrophobicContact CB-CD1 4.04Å; I460-F504 HydrophobicContact CB-CE1 3.99Å; I460-F504 HydrophobicContact CB-CG 4.4Å; I460-F504 HydrophobicContact CB-CZ 4.31Å; I460-F504 HydrophobicContact CD1-CD2 4.16Å; I460-F504 HydrophobicContact CD1-CE2 4.18Å; I460-F504 HydrophobicContact CD1-CG 4.5Å; F504-G506 VanDerWaalsContact CE2-C 3.45Å; F504-G506 WeakPolarHBondContact CE2-O 3.42Å; F504-G506 VanDerWaalsContact CZ-CA 3.49Å; F504-T539 PolarHBondContact N-O 3.38Å; F504-Y600 AromaticContact CE2-CD1 3.94Å; F504-Y600 HydrophobicContact CE2-CD1 3.94Å; F504-Y600 HydrophobicContact CZ-CD1 4.47Å; F504-F602 HydrophobicContact CB-CD1 4.15Å; F504-F602 HydrophobicContact CB-CE1 4.02Å; F504-F602 HydrophobicContact CD2-CD1 4.04Å; F504-F602 AromaticContact CD2-CE1 3.52Å; F504-F602 HydrophobicContact CD2-CE1 3.52Å; F504-F602 AromaticContact CD2-CZ 3.8Å; F504-F602 HydrophobicContact CD2-CZ 3.8Å; F504-F602 HydrophobicContact CE2-CE1 4.46Å; F504-F602 HydrophobicContact CE2-CZ 4.33Å; F504-F602 HydrophobicContact CG-CE1 4.22Å
505L89.4Confident86.4Confident4 Ų441 Ų412%0.02122%0.217CC..EExtended strand (participates in β ladder)trans-98.4-38.2-179.9-64.3-178.1000111.7F458 R503 V526 L527 R530 M538 L581 I601 E603F458-L505 WeakPolarHBondContact CD1-O 3.31Å; R503-L505 PolarHBondContact O-N 2.84Å; L505-V526 HydrophobicContact CB-CG1 4.18Å; L505-L527 HydrophobicContact CD1-CD2 4.05Å; L505-R530 WeakPolarHBondContact O-CD 3.36Å; L505-R530 PolarHBondContact O-NH1 2.89Å; L505-M538 HydrophobicContact CD2-CG 4.21Å; L505-M538 HydrophobicContact CD2-SD 3.42Å; L505-M538 WeakPolarHBondContact CD2-SD 3.32Å; L505-L581 HydrophobicContact CD1-CD2 3.38Å; L505-I601 HydrophobicContact CB-CB 4.45Å; L505-I601 HydrophobicContact CB-CG2 4.17Å; L505-I601 HydrophobicContact CD1-CG2 4.03Å; L505-I601 PolarHBondContact N-O 3.37Å; L505-E603 HydrophobicContact CD1-CB 4.06Å; L505-E603 HydrophobicContact CD2-CB 4.21Å; L505-E603 HydrophobicContact CG-CB 4.21Å
506G89.9Confident87.5Confident0 Ų040.2 Ų40.20%022%0.215CC..EExtended strand (participates in β ladder)trans164.6169.4174.300000112.6Q457 F504 I601Q457-G506 CarbonylContact O-C 3.46Å; Q457-G506 WeakPolarHBondContact O-CA 3.46Å; F504-G506 VanDerWaalsContact CE2-C 3.45Å; F504-G506 WeakPolarHBondContact CE2-O 3.42Å; F504-G506 VanDerWaalsContact CZ-CA 3.49Å; G506-I601 PolarHBondContact N-O 3.1Å; G506-I601 PolarHBondContact O-N 3.07Å
507S91.3Very high88.2Confident7 Ų744.4 Ų44.45%0.04924%0.235CC..EExtended strand (participates in β ladder)trans-134.5153.1173.658.20000111.4Q457 T599Q457-S507 PolarHBondContact N-O 2.83Å; Q457-S507 PolarHBondContact O-N 3.38Å; S507-T599 WeakPolarHBondContact CA-O 3.22Å; S507-T599 WeakPolarHBondContact CB-O 3.34Å
508M89.6Confident88.6Confident5 Ų538.6 Ų38.63%0.02521%0.207CC..EExtended strand (participates in β ladder)trans-151.1152.717653.7166.839.700111.1I450 T454 I456 A522 Q525 V526 S598 T599I450-M508 HydrophobicContact CD1-SD 3.55Å; I450-M508 VanDerWaalsContact CD1-SD 3.55Å; I450-M508 HydrophobicContact CG1-SD 4.32Å; I450-M508 HydrophobicContact CG2-SD 4.29Å; T454-M508 HydrophobicContact CG2-CB 4.47Å; I456-M508 HydrophobicContact CD1-CE 3.48Å; I456-M508 VanDerWaalsContact CD1-CE 3.48Å; I456-M508 HydrophobicContact CG1-CE 3.45Å; I456-M508 VanDerWaalsContact CG1-CE 3.45Å; M508-A522 HydrophobicContact CG-CB 4.08Å; M508-A522 HydrophobicContact SD-CB 3.69Å; M508-Q525 HydrophobicContact CE-CB 3.75Å; M508-Q525 HydrophobicContact SD-CB 4.49Å; M508-V526 HydrophobicContact CE-CG2 4.35Å; M508-S598 WeakPolarHBondContact O-CA 3.45Å; M508-T599 PolarHBondContact N-O 3.13Å; M508-T599 VanDerWaalsContact N-O 3.11Å; M508-T599 PolarHBondContact O-N 2.76Å
509A89.9Confident89Confident52 Ų5237.3 Ų37.343%0.4320%0.202SC..EExtended strand (participates in β ladder)trans-71.7144.6173.200000110.8T454 L597T454-A509 HydrophobicContact CG2-CB 4.03Å; A509-L597 CarbonylContact C-O 3.53Å; A509-L597 WeakPolarHBondContact CA-O 3.46Å
510V90Very high89.3Confident14 Ų1434.5 Ų34.59%0.08519%0.185CC..EExtended strand (participates in β ladder)trans-130.7156.3-179.1-57.80000111.2I450 V518 V585 L597 T599I450-V510 HydrophobicContact CD1-CG1 4.36Å; I450-V510 HydrophobicContact CG1-CB 4.49Å; I450-V510 HydrophobicContact CG1-CG1 4Å; V510-V518 HydrophobicContact CB-CG2 3.64Å; V510-V518 HydrophobicContact CG1-CG2 3.75Å; V510-V518 HydrophobicContact CG2-CG2 4.12Å; V510-V585 HydrophobicContact CG2-CG1 4.07Å; V510-L597 HydrophobicContact CG2-CB 3.59Å; V510-L597 PolarHBondContact N-O 2.98Å; V510-T599 WeakPolarHBondContact CG1-OG1 3.43Å
511K85.1Confident89.2Confident115 Ų11535.1 Ų35.150%0.519%0.188SC..SBendtrans-88.6-21-175.5-66.5178178.6171.60114E447 E448 L449 A451E447-K511 PolarHBondContact O-NZ 3.01Å; E448-K511 WeakPolarHBondContact O-CD 3.4Å; L449-K511 WeakPolarHBondContact O-CB 3.33Å; L449-K511 PolarHBondContact O-N 3.2Å; A451-K511 VanDerWaalsContact CB-CE 3.48Å
512T84.1Confident89Confident33 Ų3332.7 Ų32.720%0.20218%0.176CC..  trans-147.2150.7-174.2-171.50000111.7L449 S514L449-T512 HydrophobicContact CD2-CG2 3.6Å; T512-S514 WeakPolarHBondContact OG1-CB 3.45Å; T512-S514 PolarHBondContact OG1-N 3.4Å; T512-S514 PolarHBondContact OG1-OG 3.49Å
513D85.4Confident88.9Confident31 Ų3132.7 Ų32.717%0.16618%0.176CC..  trans-118.617.1170.563.6-11.9000112.3T515 T570 Q571 V585 R587 L597D513-T515 VanDerWaalsContact C-N 3.33Å; D513-T570 VanDerWaalsContact CB-OG1 3.29Å; D513-T570 WeakPolarHBondContact CB-OG1 3.47Å; D513-T570 VanDerWaalsContact OD2-CB 3.28Å; D513-T570 WeakPolarHBondContact OD2-CB 3.32Å; D513-T570 WeakPolarHBondContact OD2-CG2 3.4Å; D513-T570 PolarHBondContact OD2-OG1 2.98Å; D513-Q571 HydrophobicContact CB-CG 4.44Å; D513-Q571 WeakPolarHBondContact O-CG 3.49Å; D513-Q571 PolarHBondContact O-NE2 3.33Å; D513-V585 HydrophobicContact CB-CG1 4.14Å; D513-R587 IonicContact OD1-NH2 2.89Å; D513-R587 IonicContact OD2-CZ 2.85Å; D513-R587 IonicContact OD2-NE 3.32Å; D513-R587 IonicContact OD2-NH2 2.76Å; D513-R587 PolarHBondContact OD2-NH2 3.22Å; D513-L597 HydrophobicContact CB-CD1 4.01Å; D513-L597 HydrophobicContact CB-CD2 4.12Å
514S83.5Confident88.6Confident83 Ų8336.6 Ų36.658%0.5819%0.19SC*.SBendtrans-74.3-21.8-177.959.40000113.8T512T512-S514 WeakPolarHBondContact OG1-CB 3.45Å; T512-S514 PolarHBondContact OG1-N 3.4Å; T512-S514 PolarHBondContact OG1-OG 3.49Å
515T87.6Confident88.3Confident48 Ų4838.6 Ų38.629%0.29420%0.2SC..  trans-137.8152.9-17665.10000110.9D513 E517 V518D513-T515 VanDerWaalsContact C-N 3.33Å; T515-E517 VanDerWaalsContact C-N 3.27Å; T515-V518 VanDerWaalsContact O-CG1 3.25Å; T515-V518 WeakPolarHBondContact O-CG1 3.16Å
516T88.3Confident88.2Confident47 Ų4738.4 Ų38.429%0.28820%0.199SC..THydrogen-bonded Turntrans-76.7-14.4172.147.90000112.7V518 I519 Q571 A573T516-V518 PolarHBondContact O-N 3.36Å; T516-I519 VanDerWaalsContact O-CB 3.31Å; T516-I519 WeakPolarHBondContact O-CB 3.08Å; T516-I519 PolarHBondContact O-N 2.91Å; T516-Q571 HydrophobicContact CG2-CB 4.49Å; T516-A573 HydrophobicContact CG2-CB 4.34Å
517E88.6Confident88Confident88 Ų8841.5 Ų41.541%0.41122%0.215SC..Hα-helixtrans-57-31.6176.2-63.2-54.9136.800112.9L449 T515 I519 Y520 E521L449-E517 HydrophobicContact CD1-CB 4.3Å; T515-E517 VanDerWaalsContact C-N 3.27Å; E517-I519 PolarHBondContact O-N 2.93Å; E517-Y520 PolarHBondContact O-N 2.94Å; E517-E521 PolarHBondContact O-N 3.36Å
518V89.8Confident87.4Confident0 Ų043.3 Ų43.30%023%0.231CC..Hα-helixtrans-59-31.8174.376.40000112.5L449 V510 T515 T516 A522 V585L449-V518 HydrophobicContact CB-CG2 4.42Å; V510-V518 HydrophobicContact CB-CG2 3.64Å; V510-V518 HydrophobicContact CG1-CG2 3.75Å; V510-V518 HydrophobicContact CG2-CG2 4.12Å; T515-V518 VanDerWaalsContact O-CG1 3.25Å; T515-V518 WeakPolarHBondContact O-CG1 3.16Å; T516-V518 PolarHBondContact O-N 3.36Å; V518-A522 VanDerWaalsContact O-CB 3.26Å; V518-A522 WeakPolarHBondContact O-CB 3.39Å; V518-A522 PolarHBondContact O-N 2.99Å; V518-V585 HydrophobicContact CG1-CG2 3.85Å
519I90.8Very high86.8Confident0 Ų043.7 Ų43.70%023%0.234CC..Hα-helixtrans-72.9-42.9178.7-59.8170.4000109.8T516 E517 A522 M523 Q571 A573 V585 T599 I601T516-I519 VanDerWaalsContact O-CB 3.31Å; T516-I519 WeakPolarHBondContact O-CB 3.08Å; T516-I519 PolarHBondContact O-N 2.91Å; E517-I519 PolarHBondContact O-N 2.93Å; I519-A522 PolarHBondContact O-N 3.5Å; I519-M523 HydrophobicContact CG2-CE 3.8Å; I519-M523 HydrophobicContact CG2-SD 4.43Å; I519-M523 VanDerWaalsContact O-CG 3.28Å; I519-M523 WeakPolarHBondContact O-CG 3.4Å; I519-M523 PolarHBondContact O-N 2.97Å; I519-Q571 HydrophobicContact CD1-CB 3.97Å; I519-A573 HydrophobicContact CD1-CB 3.91Å; I519-A573 HydrophobicContact CG2-CB 4.42Å; I519-V585 HydrophobicContact CD1-CG2 4.1Å; I519-V585 HydrophobicContact CG1-CG2 3.73Å; I519-T599 HydrophobicContact CG1-CG2 4.31Å; I519-T599 HydrophobicContact CG2-CG2 4.5Å; I519-I601 HydrophobicContact CG2-CD1 4.08Å
520Y91.4Very high86.4Confident53 Ų5342.1 Ų42.121%0.20822%0.217CC..Hα-helixtrans-67.1-40.1179-56.3-50.5000111.9E517 M523 R524 A573E517-Y520 PolarHBondContact O-N 2.94Å; Y520-M523 HydrophobicContact CD1-SD 4.25Å; Y520-M523 WeakPolarHBondContact O-CB 3.05Å; Y520-M523 PolarHBondContact O-N 3.44Å; Y520-R524 PolarHBondContact O-N 3.49Å; Y520-A573 HydrophobicContact CE1-CB 4.11Å
521E88.3Confident85.4Confident25 Ų2544.7 Ų44.712%0.11724%0.24CC..Hα-helixtrans-66.1-40.3174.4-176.154.4-155.500111.5I450 E517 R524 Q525I450-E521 HydrophobicContact CD1-CB 4.3Å; I450-E521 HydrophobicContact CD1-CG 3.95Å; E517-E521 PolarHBondContact O-N 3.36Å; E521-R524 WeakPolarHBondContact O-CB 3.19Å; E521-R524 PolarHBondContact O-N 3.33Å; E521-R524 IonicContact OE1-CZ 3.33Å; E521-R524 IonicContact OE1-NE 2.71Å; E521-R524 PolarHBondContact OE1-NE 2.99Å; E521-R524 IonicContact OE1-NH2 2.71Å; E521-R524 PolarHBondContact OE1-NH2 3.34Å; E521-R524 IonicContact OE2-CZ 3.77Å; E521-R524 IonicContact OE2-NE 3.57Å; E521-R524 PolarHBondContact OE2-NE 3.17Å; E521-R524 IonicContact OE2-NH2 3.13Å; E521-R524 PolarHBondContact OE2-NH2 3.39Å; E521-Q525 WeakPolarHBondContact O-CG 3.32Å; E521-Q525 PolarHBondContact O-N 3.24Å; E521-Q525 PolarHBondContact OE1-NE2 3.2Å
522A87.5Confident84.6Confident0 Ų045.1 Ų45.10%025%0.247CC..Hα-helixtrans-62.5-42.5172.800000112.3I450 M508 V518 I519 R524 Q525 V526 T599 I601I450-A522 HydrophobicContact CD1-CB 4.11Å; M508-A522 HydrophobicContact CG-CB 4.08Å; M508-A522 HydrophobicContact SD-CB 3.69Å; V518-A522 VanDerWaalsContact O-CB 3.26Å; V518-A522 WeakPolarHBondContact O-CB 3.39Å; V518-A522 PolarHBondContact O-N 2.99Å; I519-A522 PolarHBondContact O-N 3.5Å; A522-R524 VanDerWaalsContact C-N 3.33Å; A522-R524 PolarHBondContact O-N 2.84Å; A522-Q525 PolarHBondContact O-N 2.92Å; A522-V526 WeakPolarHBondContact O-CB 3.25Å; A522-V526 WeakPolarHBondContact O-CG2 3.48Å; A522-V526 PolarHBondContact O-N 3.05Å; A522-T599 HydrophobicContact CB-CG2 3.76Å; A522-I601 HydrophobicContact CB-CD1 4.31Å
523M90.7Very high83.8Confident2 Ų249.6 Ų49.61%0.0127%0.265CS..Hα-helixtrans-56.9-47.2173.6-74.5175.9175.300111I519 Y520 V526 L527 H575 L581 G583 I601I519-M523 HydrophobicContact CG2-CE 3.8Å; I519-M523 HydrophobicContact CG2-SD 4.43Å; I519-M523 VanDerWaalsContact O-CG 3.28Å; I519-M523 WeakPolarHBondContact O-CG 3.4Å; I519-M523 PolarHBondContact O-N 2.97Å; Y520-M523 HydrophobicContact CD1-SD 4.25Å; Y520-M523 WeakPolarHBondContact O-CB 3.05Å; Y520-M523 PolarHBondContact O-N 3.44Å; M523-V526 PolarHBondContact O-N 3.27Å; M523-L527 WeakPolarHBondContact O-CB 3.37Å; M523-L527 VanDerWaalsContact O-CG 3.24Å; M523-L527 WeakPolarHBondContact O-CG 3.21Å; M523-L527 PolarHBondContact O-N 2.81Å; M523-H575 HydrophobicContact SD-CB 4.02Å; M523-L581 HydrophobicContact CE-CB 4.24Å; M523-L581 HydrophobicContact SD-CB 4.29Å; M523-G583 VanDerWaalsContact CE-N 3.32Å; M523-I601 HydrophobicContact CE-CD1 4.34Å; M523-I601 HydrophobicContact CG-CD1 3.59Å; M523-I601 HydrophobicContact CG-CG1 4.16Å; M523-I601 HydrophobicContact CG-CG2 3.78Å
524R87.5Confident82.9Confident153 Ų15352.5 Ų52.558%0.57728%0.281SS*.Hα-helixtrans-59.2-49.7179.3-170.4179.875.9105.11.4111.5Y520 E521 A522 A528Y520-R524 PolarHBondContact O-N 3.49Å; E521-R524 WeakPolarHBondContact O-CB 3.19Å; E521-R524 PolarHBondContact O-N 3.33Å; E521-R524 IonicContact OE1-CZ 3.33Å; E521-R524 IonicContact OE1-NE 2.71Å; E521-R524 PolarHBondContact OE1-NE 2.99Å; E521-R524 IonicContact OE1-NH2 2.71Å; E521-R524 PolarHBondContact OE1-NH2 3.34Å; E521-R524 IonicContact OE2-CZ 3.77Å; E521-R524 IonicContact OE2-NE 3.57Å; E521-R524 PolarHBondContact OE2-NE 3.17Å; E521-R524 IonicContact OE2-NH2 3.13Å; E521-R524 PolarHBondContact OE2-NH2 3.39Å; A522-R524 VanDerWaalsContact C-N 3.33Å; A522-R524 PolarHBondContact O-N 2.84Å; R524-A528 WeakPolarHBondContact O-CB 3.48Å; R524-A528 PolarHBondContact O-N 3.4Å
525Q85.9Confident82.3Confident50 Ų5050.9 Ų50.923%0.23427%0.265CS..Hα-helixtrans-68-41.8-179.1-67.5-173.624.700112.6I456 M508 E521 A522 A528 A529I456-Q525 HydrophobicContact CD1-CB 4.42Å; M508-Q525 HydrophobicContact CE-CB 3.75Å; M508-Q525 HydrophobicContact SD-CB 4.49Å; E521-Q525 WeakPolarHBondContact O-CG 3.32Å; E521-Q525 PolarHBondContact O-N 3.24Å; E521-Q525 PolarHBondContact OE1-NE2 3.2Å; A522-Q525 PolarHBondContact O-N 2.92Å; Q525-A528 PolarHBondContact O-N 3.27Å; Q525-A529 VanDerWaalsContact O-CB 3.23Å; Q525-A529 WeakPolarHBondContact O-CB 3.12Å; Q525-A529 PolarHBondContact O-N 3.04Å
526V86.4Confident81.5Confident0 Ų056.5 Ų56.50%029%0.285CS..Hα-helixtrans-62.2-48.6176.5170.40000110.7I456 F458 L505 M508 A522 M523 A529 R530 I601I456-V526 HydrophobicContact CG2-CG2 3.93Å; F458-V526 HydrophobicContact CE1-CG1 4.43Å; L505-V526 HydrophobicContact CB-CG1 4.18Å; M508-V526 HydrophobicContact CE-CG2 4.35Å; A522-V526 WeakPolarHBondContact O-CB 3.25Å; A522-V526 WeakPolarHBondContact O-CG2 3.48Å; A522-V526 PolarHBondContact O-N 3.05Å; M523-V526 PolarHBondContact O-N 3.27Å; V526-A529 PolarHBondContact O-N 2.84Å; V526-R530 VanDerWaalsContact O-CG 3.29Å; V526-R530 WeakPolarHBondContact O-CG 3.35Å; V526-R530 PolarHBondContact O-N 3.37Å; V526-I601 HydrophobicContact CG2-CG1 4.34Å
527L85.6Confident80.7Confident66 Ų6664.4 Ų64.435%0.34631%0.31SS..Hα-helixtrans-65.7-42179.5-69.7173.8000112.1L505 M523 R530 A531 L581L505-L527 HydrophobicContact CD1-CD2 4.05Å; M523-L527 WeakPolarHBondContact O-CB 3.37Å; M523-L527 VanDerWaalsContact O-CG 3.24Å; M523-L527 WeakPolarHBondContact O-CG 3.21Å; M523-L527 PolarHBondContact O-N 2.81Å; L527-R530 PolarHBondContact O-N 3.07Å; L527-A531 PolarHBondContact O-N 3.41Å; L527-L581 HydrophobicContact CD1-CD1 3.75Å
528A79.1Confident80.1Confident45 Ų4563.9 Ų63.937%0.37231%0.308SS..Hα-helixtrans-60.4-46.1174.700000111.2R524 Q525 R530 A531 I532R524-A528 WeakPolarHBondContact O-CB 3.48Å; R524-A528 PolarHBondContact O-N 3.4Å; Q525-A528 PolarHBondContact O-N 3.27Å; A528-R530 PolarHBondContact O-N 3.45Å; A528-A531 PolarHBondContact O-N 2.95Å; A528-I532 WeakPolarHBondContact O-CB 3.33Å; A528-I532 WeakPolarHBondContact O-CD1 3.39Å; A528-I532 WeakPolarHBondContact O-CG1 3.43Å; A528-I532 PolarHBondContact O-N 3.47Å
529A77.3Confident79.6Confident12 Ų1265.8 Ų65.810%0.09932%0.32CS..Hα-helixtrans-64.9-39.7178.100000112.4I456 F458 Q525 V526 A531 I532 H533I456-A529 HydrophobicContact CD1-CB 3.56Å; F458-A529 HydrophobicContact CZ-CB 3.9Å; Q525-A529 VanDerWaalsContact O-CB 3.23Å; Q525-A529 WeakPolarHBondContact O-CB 3.12Å; Q525-A529 PolarHBondContact O-N 3.04Å; V526-A529 PolarHBondContact O-N 2.84Å; A529-A531 VanDerWaalsContact C-N 3.29Å; A529-A531 PolarHBondContact O-N 2.96Å; A529-I532 PolarHBondContact O-N 3Å; A529-H533 WeakPolarHBondContact O-CB 3.37Å; A529-H533 PolarHBondContact O-CD2 3.05Å; A529-H533 PolarHBondContact O-N 2.8Å
530R82.3Confident79.5Confident19 Ų1969.2 Ų69.27%0.07234%0.336CS..Hα-helixtrans-60.5-39.1173.2-70.2-178.275.384.711.4112.1F458 L505 V526 L527 A528 N534 I535 R537 M538F458-R530 HydrophobicContact CD1-CG 3.86Å; F458-R530 HydrophobicContact CE1-CG 3.39Å; F458-R530 HydrophobicContact CZ-CG 4.24Å; L505-R530 WeakPolarHBondContact O-CD 3.36Å; L505-R530 PolarHBondContact O-NH1 2.89Å; V526-R530 VanDerWaalsContact O-CG 3.29Å; V526-R530 WeakPolarHBondContact O-CG 3.35Å; V526-R530 PolarHBondContact O-N 3.37Å; L527-R530 PolarHBondContact O-N 3.07Å; A528-R530 PolarHBondContact O-N 3.45Å; R530-N534 WeakPolarHBondContact O-CA 3.46Å; R530-N534 PolarHBondContact O-N 3.37Å; R530-I535 PolarHBondContact NE-O 3.32Å; R530-I535 PolarHBondContact NH2-O 3.45Å; R530-I535 PolarHBondContact O-N 3.25Å; R530-R537 PolarHBondContact NH2-O 3.4Å; R530-M538 VanDerWaalsContact NH2-CG 3.29Å
531A69.3Low79.4Confident69 Ų6966.9 Ų66.957%0.5733%0.328SS*.Hα-helixtrans-69.6-46.1176.600000112L527 A528 A529 H533 N534L527-A531 PolarHBondContact O-N 3.41Å; A528-A531 PolarHBondContact O-N 2.95Å; A529-A531 VanDerWaalsContact C-N 3.29Å; A529-A531 PolarHBondContact O-N 2.96Å; A531-H533 PolarHBondContact O-N 3.31Å; A531-N534 PolarHBondContact O-N 3.09Å
532I66.4Low79.5Confident124 Ų12467.3 Ų67.364%0.63633%0.33SS*.Hα-helixtrans-63-41.8179.4-68.8163000111.1A528 A529A528-I532 WeakPolarHBondContact O-CB 3.33Å; A528-I532 WeakPolarHBondContact O-CD1 3.39Å; A528-I532 WeakPolarHBondContact O-CG1 3.43Å; A528-I532 PolarHBondContact O-N 3.47Å; A529-I532 PolarHBondContact O-N 3Å
533H69.3Low79.8Confident126 Ų12667.3 Ų67.358%0.58333%0.33SS*.THydrogen-bonded Turntrans-94.26.5-176.8-63.1-67.1000113.9A529 A531 I535A529-H533 WeakPolarHBondContact O-CB 3.37Å; A529-H533 PolarHBondContact O-CD2 3.05Å; A529-H533 PolarHBondContact O-N 2.8Å; A531-H533 PolarHBondContact O-N 3.31Å; H533-I535 VanDerWaalsContact C-N 3.3Å; H533-I535 HydrophobicContact CB-CD1 3.91Å; H533-I535 HydrophobicContact CB-CG1 3.89Å; H533-I535 PolarHBondContact O-N 3.43Å
534N65.8Low79.7Confident93 Ų9368.5 Ų68.550%0.49734%0.336SS..THydrogen-bonded Turntrans53.142178.8-69.2-56.6000114.1R530 A531 F536R530-N534 WeakPolarHBondContact O-CA 3.46Å; R530-N534 PolarHBondContact O-N 3.37Å; A531-N534 PolarHBondContact O-N 3.09Å; N534-F536 HydrophobicContact CB-CE2 3.8Å; N534-F536 HydrophobicContact CB-CZ 4.32Å; N534-F536 WeakPolarHBondContact O-CD2 3.39Å; N534-F536 WeakPolarHBondContact O-CE2 3.43Å; N534-F536 PolarHBondContact O-N 2.85Å
535I71.3Confident79.8Confident49 Ų4961.2 Ų61.225%0.25131%0.308SS..  trans-89.293.5-178.1-55.2176.8000109.2F458 R530 H533F458-I535 HydrophobicContact CD1-CD1 4.18Å; F458-I535 HydrophobicContact CD2-CD1 3.27Å; F458-I535 HydrophobicContact CE1-CD1 4.23Å; F458-I535 HydrophobicContact CE2-CD1 3.3Å; F458-I535 HydrophobicContact CG-CD1 3.72Å; F458-I535 HydrophobicContact CZ-CD1 3.8Å; R530-I535 PolarHBondContact NE-O 3.32Å; R530-I535 PolarHBondContact NH2-O 3.45Å; R530-I535 PolarHBondContact O-N 3.25Å; H533-I535 VanDerWaalsContact C-N 3.3Å; H533-I535 HydrophobicContact CB-CD1 3.91Å; H533-I535 HydrophobicContact CB-CG1 3.89Å; H533-I535 PolarHBondContact O-N 3.43Å
536F69.6Low79.7Confident165 Ų16559.2 Ų59.272%0.72430%0.299SS*.  trans-91.7-19.4-179.3-59.5-72000114N534 M538N534-F536 HydrophobicContact CB-CE2 3.8Å; N534-F536 HydrophobicContact CB-CZ 4.32Å; N534-F536 WeakPolarHBondContact O-CD2 3.39Å; N534-F536 WeakPolarHBondContact O-CE2 3.43Å; N534-F536 PolarHBondContact O-N 2.85Å; F536-M538 PolarHBondContact O-N 2.79Å
537R71.6Confident79.5Confident214 Ų21459.4 Ų59.481%0.80830%0.3SS*.  trans-71.1124179.4-167.5177.8-177.2-178.8-0.8109.4R530R530-R537 PolarHBondContact NH2-O 3.4Å
538M77.1Confident79.4Confident76 Ų7661.9 Ų61.937%0.37431%0.31SS..  trans-124.4136.5172.9-66.7-176-7300108.5R503 L505 R530 F536R503-M538 HydrophobicContact CB-CB 4.16Å; R503-M538 HydrophobicContact CB-SD 4.44Å; L505-M538 HydrophobicContact CD2-CG 4.21Å; L505-M538 HydrophobicContact CD2-SD 3.42Å; L505-M538 WeakPolarHBondContact CD2-SD 3.32Å; R530-M538 VanDerWaalsContact NH2-CG 3.29Å; F536-M538 PolarHBondContact O-N 2.79Å
539T79.3Confident79.9Confident41 Ų4160.5 Ų60.525%0.25230%0.298SS..EExtended strand (participates in β ladder)trans-98.3114.6-178.7-48.20000109R503 F504R503-T539 WeakPolarHBondContact CA-O 3.47Å; F504-T539 PolarHBondContact N-O 3.38Å
540E87.6Confident80.5Confident72 Ų7259.9 Ų59.934%0.33629%0.293SS..EExtended strand (participates in β ladder)trans-72.3142.8175.2-165.8168.294.700110.5I501 V502 R503 R561I501-E540 HydrophobicContact CG2-CG 3.57Å; V502-E540 CarbonylContact O-C 3.52Å; V502-E540 WeakPolarHBondContact O-CA 3.16Å; R503-E540 HydrophobicContact CG-CB 4.39Å; R503-E540 HydrophobicContact CG-CG 4.46Å; R503-E540 IonicContact CZ-OE2 3.47Å; R503-E540 IonicContact NE-OE2 3.7Å; R503-E540 PolarHBondContact NE-OE2 3.41Å; R503-E540 IonicContact NH2-OE2 3Å; R503-E540 PolarHBondContact NH2-OE2 3.44Å; E540-R561 PolarHBondContact O-NH1 3.38Å; E540-R561 VanDerWaalsContact O-NH1 3.08Å
541S89.6Confident80.9Confident4 Ų463.2 Ų63.23%0.02831%0.306CS..EExtended strand (participates in β ladder)trans-150.7151.3179.2-63.30000110.1V502 I553 R561V502-S541 PolarHBondContact N-O 2.62Å; V502-S541 PolarHBondContact O-N 3.13Å; V502-S541 VanDerWaalsContact O-O 3.1Å; S541-I553 WeakPolarHBondContact CA-O 3.33Å; S541-R561 PolarHBondContact OG-NH1 3.48Å
542H91.4Very high81.9Confident34 Ų3460 Ų6016%0.15728%0.279CS..EExtended strand (participates in β ladder)trans-86.8111.6168.6-66.4174000108.9M499 F500 M544 I553M499-H542 HydrophobicContact CG-CB 4.14Å; M499-H542 HydrophobicContact SD-CB 4.17Å; F500-H542 CarbonylContact O-C 3.52Å; F500-H542 WeakPolarHBondContact O-CA 3.19Å; H542-M544 PolarHBondContact O-N 3.3Å; H542-I553 HydrophobicContact CB-CB 4.29Å; H542-I553 PolarHBondContact N-O 3.19Å; H542-I553 PolarHBondContact O-N 3.19Å
543L92.3Very high82.9Confident0 Ų054.9 Ų54.90%025%0.253CS..EExtended strand (participates in β ladder)trans-83.2108.7171.2178.464.4000109.1M499 F500 V502 V545 L550 R551 L552 I611M499-L543 WeakPolarHBondContact CA-O 3.15Å; F500-L543 HydrophobicContact CB-CB 4.49Å; F500-L543 PolarHBondContact N-O 3.42Å; F500-L543 PolarHBondContact O-N 2.7Å; V502-L543 HydrophobicContact CG1-CB 3.96Å; V502-L543 HydrophobicContact CG1-CD2 4.14Å; V502-L543 HydrophobicContact CG2-CB 3.7Å; L543-V545 HydrophobicContact CG-CG2 4.39Å; L543-L550 HydrophobicContact CD1-CB 4.29Å; L543-R551 CarbonylContact C-O 3.52Å; L543-R551 WeakPolarHBondContact CA-O 3.47Å; L543-L552 HydrophobicContact CB-CD2 3.97Å; L543-L552 HydrophobicContact CD1-CD2 3.8Å; L543-L552 HydrophobicContact CD1-CG 4.2Å; L543-L552 HydrophobicContact CG-CD2 4.47Å; L543-I611 HydrophobicContact CD2-CD1 4.41Å; L543-I611 HydrophobicContact CD2-CG2 3.83Å
544M89.7Confident83.6Confident27 Ų2749.8 Ų49.813%0.13323%0.23CC..EExtended strand (participates in β ladder)trans-96.1115.4173.9-175178.6-69.100109.9Q497 Q498 H542 T546 L550 R551 I553Q497-M544 HydrophobicContact CG-CG 4.32Å; Q497-M544 HydrophobicContact CG-SD 4.24Å; Q497-M544 PolarHBondContact NE2-SD 3.48Å; Q498-M544 CarbonylContact O-C 3.51Å; Q498-M544 WeakPolarHBondContact O-CA 3.33Å; H542-M544 PolarHBondContact O-N 3.3Å; M544-T546 HydrophobicContact CG-CG2 3.98Å; M544-T546 HydrophobicContact SD-CG2 4.23Å; M544-L550 WeakPolarHBondContact O-CA 3.18Å; M544-R551 HydrophobicContact CB-CB 4.39Å; M544-R551 PolarHBondContact N-O 3.29Å; M544-R551 PolarHBondContact O-N 3.41Å; M544-R551 PolarHBondContact SD-NH2 3.49Å; M544-I553 HydrophobicContact CB-CD1 4.14Å; M544-I553 HydrophobicContact CE-CD1 3.76Å; M544-I553 HydrophobicContact SD-CD1 4.31Å
545V88.1Confident84.3Confident0 Ų047.2 Ų47.20%022%0.218CC..EExtended strand (participates in β ladder)trans-94.3121.5173.9-174.60000108.5L496 Q497 Q498 F500 L543 L550 A614 I615L496-V545 HydrophobicContact CD2-CG1 4.36Å; Q497-V545 WeakPolarHBondContact CA-O 3.24Å; Q498-V545 PolarHBondContact N-O 2.84Å; Q498-V545 PolarHBondContact O-N 2.87Å; F500-V545 HydrophobicContact CD2-CG2 4.04Å; F500-V545 HydrophobicContact CE2-CG2 3.9Å; L543-V545 HydrophobicContact CG-CG2 4.39Å; V545-L550 HydrophobicContact CB-CD2 4.11Å; V545-L550 HydrophobicContact CG1-CD2 3.73Å; V545-L550 HydrophobicContact CG2-CD2 3.94Å; V545-A614 HydrophobicContact CB-CB 4.16Å; V545-A614 HydrophobicContact CG1-CB 3.9Å; V545-A614 HydrophobicContact CG2-CB 4.24Å; V545-I615 HydrophobicContact CG1-CG1 4.31Å
546T85.4Confident84.6Confident7 Ų753.5 Ų53.54%0.04325%0.246CC..EExtended strand (participates in β ladder)trans-120172.1177.665.90000111.3S494 L496 M544 Q548 S549S494-T546 WeakPolarHBondContact OG-CB 3.09Å; L496-T546 VanDerWaalsContact O-CA 3.25Å; L496-T546 WeakPolarHBondContact O-CA 3.45Å; M544-T546 HydrophobicContact CG-CG2 3.98Å; M544-T546 HydrophobicContact SD-CG2 4.23Å; T546-Q548 PolarHBondContact O-N 3.49Å; T546-Q548 VanDerWaalsContact O-N 3.17Å; T546-Q548 PolarHBondContact OG1-N 2.88Å; T546-S549 PolarHBondContact N-O 3.34Å; T546-S549 PolarHBondContact OG1-N 2.78Å; T546-S549 PolarHBondContact OG1-O 2.91Å; T546-S549 PolarHBondContact OG1-OG 3.22Å; T546-S549 VanDerWaalsContact OG1-OG 3.11Å
547S81.8Confident85.1Confident4 Ų449.6 Ų49.63%0.02824%0.236CC..SBendtrans-64.2-11.9172.358.50000114.2S494 L496 I622S494-S547 PolarHBondContact OG-N 2.83Å; S494-S547 VanDerWaalsContact OG-N 3.11Å; S494-S547 PolarHBondContact OG-OG 3Å; L496-S547 PolarHBondContact O-N 2.93Å; S547-I622 VanDerWaalsContact O-CD1 3.25Å; S547-I622 WeakPolarHBondContact O-CD1 3.28Å; S547-I622 WeakPolarHBondContact O-CG1 3.29Å
548Q82.8Confident85.4Confident118 Ų11845.3 Ų45.355%0.55123%0.225SC*.SBendtrans-123.4-26.6-176.2-60.5-175.414.100113.9T546 L566T546-Q548 PolarHBondContact O-N 3.49Å; T546-Q548 VanDerWaalsContact O-N 3.17Å; T546-Q548 PolarHBondContact OG1-N 2.88Å; Q548-L566 WeakPolarHBondContact O-CB 3.48Å; Q548-L566 PolarHBondContact O-N 3.27Å
549S89.1Confident85.5Confident16 Ų1645.9 Ų45.911%0.11223%0.232CC..EExtended strand (participates in β ladder)trans-154.8159.7-170.263.20000114.5T546 N563 F564T546-S549 PolarHBondContact N-O 3.34Å; T546-S549 PolarHBondContact OG1-N 2.78Å; T546-S549 PolarHBondContact OG1-O 2.91Å; T546-S549 PolarHBondContact OG1-OG 3.22Å; T546-S549 VanDerWaalsContact OG1-OG 3.11Å; S549-N563 WeakPolarHBondContact CB-OD1 3.42Å; S549-F564 CarbonylContact C-O 3.52Å; S549-F564 WeakPolarHBondContact CA-O 3.48Å; S549-F564 WeakPolarHBondContact CB-O 3.3Å
550L91.3Very high85.5Confident0 Ų046.7 Ų46.70%024%0.24CC..EExtended strand (participates in β ladder)trans-106.7116.4167.4-52.7-178.3000109L543 M544 V545 F564 L566 V569 F584 I615L543-L550 HydrophobicContact CD1-CB 4.29Å; M544-L550 WeakPolarHBondContact O-CA 3.18Å; V545-L550 HydrophobicContact CB-CD2 4.11Å; V545-L550 HydrophobicContact CG1-CD2 3.73Å; V545-L550 HydrophobicContact CG2-CD2 3.94Å; L550-F564 HydrophobicContact CB-CB 4.32Å; L550-F564 HydrophobicContact CB-CD2 4.37Å; L550-F564 PolarHBondContact N-O 3.16Å; L550-F564 PolarHBondContact O-N 2.87Å; L550-L566 HydrophobicContact CD2-CD1 3.99Å; L550-L566 HydrophobicContact CG-CD1 4.16Å; L550-V569 HydrophobicContact CD1-CG2 3.67Å; L550-V569 HydrophobicContact CG-CG2 4.36Å; L550-F584 HydrophobicContact CD1-CD1 4.45Å; L550-F584 HydrophobicContact CD1-CD2 4.5Å; L550-F584 HydrophobicContact CD1-CE1 4.28Å; L550-F584 HydrophobicContact CD1-CE2 4.33Å; L550-F584 HydrophobicContact CD1-CZ 4.21Å; L550-I615 HydrophobicContact CD1-CD1 4.12Å; L550-I615 HydrophobicContact CD1-CG1 4.36Å; L550-I615 HydrophobicContact CD2-CG1 3.95Å
551R89.8Confident85.2Confident89 Ų8946.9 Ų46.934%0.33624%0.238SC..EExtended strand (participates in β ladder)trans-114.1130.2-178.9-67.1-174.4-67.1-176.8-3.3111.3L543 M544 I553 A562 N563L543-R551 CarbonylContact C-O 3.52Å; L543-R551 WeakPolarHBondContact CA-O 3.47Å; M544-R551 HydrophobicContact CB-CB 4.39Å; M544-R551 PolarHBondContact N-O 3.29Å; M544-R551 PolarHBondContact O-N 3.41Å; M544-R551 PolarHBondContact SD-NH2 3.49Å; R551-I553 HydrophobicContact CB-CG1 4.37Å; R551-A562 WeakPolarHBondContact CA-O 3.25Å; R551-N563 HydrophobicContact CG-CB 4.36Å; R551-N563 VanDerWaalsContact CG-OD1 3.25Å; R551-N563 WeakPolarHBondContact CG-OD1 3.46Å
552L90.1Very high85Confident1 Ų147.5 Ų47.51%0.00524%0.243CC..EExtended strand (participates in β ladder)trans-98.2113.9170.8-73.3169.7000109I460 V502 L543 S560 R561 A562 F564 F602I460-L552 HydrophobicContact CD1-CD1 3.37Å; V502-L552 HydrophobicContact CG2-CD2 3.72Å; L543-L552 HydrophobicContact CB-CD2 3.97Å; L543-L552 HydrophobicContact CD1-CD2 3.8Å; L543-L552 HydrophobicContact CD1-CG 4.2Å; L543-L552 HydrophobicContact CG-CD2 4.47Å; L552-S560 CarbonylContact O-C 3.59Å; L552-S560 WeakPolarHBondContact O-CA 3.26Å; L552-R561 PolarHBondContact O-N 3.11Å; L552-A562 HydrophobicContact CB-CB 4.35Å; L552-A562 HydrophobicContact CD1-CB 4.21Å; L552-A562 PolarHBondContact N-O 2.79Å; L552-A562 PolarHBondContact O-N 2.98Å; L552-F564 HydrophobicContact CD1-CE2 4.15Å; L552-F602 HydrophobicContact CD1-CE1 3.65Å; L552-F602 HydrophobicContact CD1-CZ 3.72Å; L552-F602 HydrophobicContact CD2-CE1 3.99Å; L552-F602 HydrophobicContact CG-CE1 4.48Å
553I87.1Confident84.8Confident17 Ų1750.5 Ų50.59%0.08726%0.26CS..EExtended strand (participates in β ladder)trans-109.3134-174.6-55.9170.3000109S541 H542 M544 R551S541-I553 WeakPolarHBondContact CA-O 3.33Å; H542-I553 HydrophobicContact CB-CB 4.29Å; H542-I553 PolarHBondContact N-O 3.19Å; H542-I553 PolarHBondContact O-N 3.19Å; M544-I553 HydrophobicContact CB-CD1 4.14Å; M544-I553 HydrophobicContact CE-CD1 3.76Å; M544-I553 HydrophobicContact SD-CD1 4.31Å; R551-I553 HydrophobicContact CB-CG1 4.37Å
554D84.8Confident84.7Confident19 Ų1951.5 Ų51.510%0.10227%0.265CS..  trans-66.7122.4171.5-173.9-48.1000109.9Q556 T557 Q558 V559 R561D554-Q556 PolarHBondContact O-N 3.44Å; D554-Q556 WeakPolarHBondContact OD1-CA 3.23Å; D554-Q556 WeakPolarHBondContact OD1-CB 3.45Å; D554-Q556 PolarHBondContact OD1-N 2.93Å; D554-T557 WeakPolarHBondContact CB-OG1 3.32Å; D554-T557 PolarHBondContact OD1-N 2.67Å; D554-T557 VanDerWaalsContact OD1-N 3.11Å; D554-Q558 VanDerWaalsContact O-CA 3.29Å; D554-Q558 WeakPolarHBondContact O-CA 3.46Å; D554-Q558 PolarHBondContact O-N 2.68Å; D554-V559 PolarHBondContact N-O 2.88Å; D554-R561 HydrophobicContact CB-CG 4.23Å; D554-R561 VanDerWaalsContact CG-NH2 3.32Å; D554-R561 IonicContact OD1-NH2 3.17Å; D554-R561 IonicContact OD2-CZ 3.83Å; D554-R561 IonicContact OD2-NE 3.51Å; D554-R561 PolarHBondContact OD2-NE 2.92Å; D554-R561 VanDerWaalsContact OD2-NE 3.13Å; D554-R561 IonicContact OD2-NH2 3.49Å; D554-R561 PolarHBondContact OD2-NH2 2.82Å
555P80.8Confident84.7Confident38 Ų3856 Ų5625%0.24729%0.285CS..THydrogen-bonded Turntrans-64.7-27.3-176.425.3-33.4000113Q558P555-Q558 PolarHBondContact O-NE2 3.01Å
556Q76.9Confident84.8Confident182 Ų18256.1 Ų56.185%0.8529%0.286SS*.THydrogen-bonded Turntrans-87.3-44.2-177.7-61.8-173.8-12.200112.3D554D554-Q556 PolarHBondContact O-N 3.44Å; D554-Q556 WeakPolarHBondContact OD1-CA 3.23Å; D554-Q556 WeakPolarHBondContact OD1-CB 3.45Å; D554-Q556 PolarHBondContact OD1-N 2.93Å
557T80Confident84.9Confident82 Ų8260.4 Ų60.450%0.50331%0.312SS..THydrogen-bonded Turntrans-96.9-12.2-173.864.90000113.7D554 V559D554-T557 WeakPolarHBondContact CB-OG1 3.32Å; D554-T557 PolarHBondContact OD1-N 2.67Å; D554-T557 VanDerWaalsContact OD1-N 3.11Å; T557-V559 PolarHBondContact O-N 3.35Å; T557-V559 VanDerWaalsContact O-N 3.12Å; T557-V559 PolarHBondContact OG1-N 3Å
558Q78.8Confident85.3Confident125 Ų12561.6 Ų61.658%0.58432%0.32SS*.  trans57.516.3-171.8-59.3-63.6-49.500113.7D554 P555D554-Q558 VanDerWaalsContact O-CA 3.29Å; D554-Q558 WeakPolarHBondContact O-CA 3.46Å; D554-Q558 PolarHBondContact O-N 2.68Å; P555-Q558 PolarHBondContact O-NE2 3.01Å
559V79.4Confident85.7Confident87 Ų8756 Ų5653%0.52730%0.295SS..  trans-84.7135.1176.71780000109.8D554 T557 R561D554-V559 PolarHBondContact N-O 2.88Å; T557-V559 PolarHBondContact O-N 3.35Å; T557-V559 VanDerWaalsContact O-N 3.12Å; T557-V559 PolarHBondContact OG1-N 3Å; V559-R561 PolarHBondContact O-N 2.87Å
560S79Confident85.9Confident58 Ų5856.7 Ų56.741%0.40630%0.298SS..EExtended strand (participates in β ladder)trans-71.2113.1173.1-173.40000110.2L552 A562L552-S560 CarbonylContact O-C 3.59Å; L552-S560 WeakPolarHBondContact O-CA 3.26Å; S560-A562 PolarHBondContact OG-O 3.02Å
561R80.2Confident86Confident77 Ų7759.2 Ų59.229%0.29131%0.31SS..EExtended strand (participates in β ladder)trans-80.3-32.3178.3-68.2-178.7172.2168.5-7113.4E540 S541 L552 D554 V559E540-R561 PolarHBondContact O-NH1 3.38Å; E540-R561 VanDerWaalsContact O-NH1 3.08Å; S541-R561 PolarHBondContact OG-NH1 3.48Å; L552-R561 PolarHBondContact O-N 3.11Å; D554-R561 HydrophobicContact CB-CG 4.23Å; D554-R561 VanDerWaalsContact CG-NH2 3.32Å; D554-R561 IonicContact OD1-NH2 3.17Å; D554-R561 IonicContact OD2-CZ 3.83Å; D554-R561 IonicContact OD2-NE 3.51Å; D554-R561 PolarHBondContact OD2-NE 2.92Å; D554-R561 VanDerWaalsContact OD2-NE 3.13Å; D554-R561 IonicContact OD2-NH2 3.49Å; D554-R561 PolarHBondContact OD2-NH2 2.82Å; V559-R561 PolarHBondContact O-N 2.87Å
562A85.6Confident86.2Confident17 Ų1757 Ų5714%0.1430%0.302CS..EExtended strand (participates in β ladder)trans-152.2147.6174.500000109.9I460 R551 L552 S560 F564I460-A562 HydrophobicContact CD1-CB 4.16Å; I460-A562 HydrophobicContact CG1-CB 4.38Å; R551-A562 WeakPolarHBondContact CA-O 3.25Å; L552-A562 HydrophobicContact CB-CB 4.35Å; L552-A562 HydrophobicContact CD1-CB 4.21Å; L552-A562 PolarHBondContact N-O 2.79Å; L552-A562 PolarHBondContact O-N 2.98Å; S560-A562 PolarHBondContact OG-O 3.02Å; A562-F564 HydrophobicContact CB-CE2 3.89Å; A562-F564 HydrophobicContact CB-CZ 3.86Å
563N88.6Confident86.4Confident97 Ų9757.2 Ų57.252%0.51931%0.305SS..EExtended strand (participates in β ladder)trans-134.4124.8177.2-177.829.9000108.9S549 R551S549-N563 WeakPolarHBondContact CB-OD1 3.42Å; R551-N563 HydrophobicContact CG-CB 4.36Å; R551-N563 VanDerWaalsContact CG-OD1 3.25Å; R551-N563 WeakPolarHBondContact CG-OD1 3.46Å
564F90.3Very high86.6Confident21 Ų2157.1 Ų57.19%0.09231%0.306CS..EExtended strand (participates in β ladder)trans-119.6126.4178.6-50.4-77.6000109.1I460 S549 L550 L552 A562 F584 I586 Y600I460-F564 HydrophobicContact CD1-CZ 4.46Å; S549-F564 CarbonylContact C-O 3.52Å; S549-F564 WeakPolarHBondContact CA-O 3.48Å; S549-F564 WeakPolarHBondContact CB-O 3.3Å; L550-F564 HydrophobicContact CB-CB 4.32Å; L550-F564 HydrophobicContact CB-CD2 4.37Å; L550-F564 PolarHBondContact N-O 3.16Å; L550-F564 PolarHBondContact O-N 2.87Å; L552-F564 HydrophobicContact CD1-CE2 4.15Å; A562-F564 HydrophobicContact CB-CE2 3.89Å; A562-F564 HydrophobicContact CB-CZ 3.86Å; F564-F584 HydrophobicContact CD2-CE2 4.17Å; F564-F584 HydrophobicContact CD2-CZ 4.28Å; F564-F584 HydrophobicContact CE2-CE2 4.29Å; F564-F584 HydrophobicContact CE2-CZ 4.27Å; F564-I586 HydrophobicContact CB-CD1 3.94Å; F564-I586 HydrophobicContact CD1-CD1 4.16Å; F564-I586 HydrophobicContact CD1-CG1 3.87Å; F564-I586 HydrophobicContact CD1-CG2 4.25Å; F564-I586 HydrophobicContact CE1-CG1 4.3Å; F564-I586 HydrophobicContact CG-CD1 4.12Å; F564-I586 HydrophobicContact CG-CG1 4.28Å; F564-Y600 HydrophobicContact CE1-CE1 4.12Å; F564-Y600 HydrophobicContact CE1-CE2 4.01Å; F564-Y600 AromaticContact CE1-CZ 3.76Å; F564-Y600 HydrophobicContact CZ-CD1 4.13Å; F564-Y600 AromaticContact CZ-CE1 3.86Å; F564-Y600 HydrophobicContact CZ-CE1 3.86Å; F564-Y600 HydrophobicContact CZ-CE2 4.37Å; F564-Y600 AromaticContact CZ-CZ 3.99Å
565E89.8Confident86.9Confident122 Ų12258.7 Ų58.757%0.5731%0.313SS*.EExtended strand (participates in β ladder)trans-65.6137.8172.1-63.8-172.6172.100110T567 S568 V569E565-T567 PolarHBondContact O-N 2.87Å; E565-S568 WeakPolarHBondContact O-CB 3.38Å; E565-S568 PolarHBondContact O-N 2.89Å; E565-V569 PolarHBondContact O-N 3.01Å
566L88.8Confident86.9Confident1 Ų164 Ų641%0.00534%0.335CS..G310 helixtrans-67.1-26.4-176.7-167.662.4000112Q548 L550 S568 V569 I615 K619 I622Q548-L566 WeakPolarHBondContact O-CB 3.48Å; Q548-L566 PolarHBondContact O-N 3.27Å; L550-L566 HydrophobicContact CD2-CD1 3.99Å; L550-L566 HydrophobicContact CG-CD1 4.16Å; L566-S568 VanDerWaalsContact C-N 3.29Å; L566-V569 HydrophobicContact CD1-CG2 4.25Å; L566-V569 PolarHBondContact O-N 2.78Å; L566-I615 HydrophobicContact CD1-CG2 3.95Å; L566-K619 HydrophobicContact CD1-CG 4.46Å; L566-K619 HydrophobicContact CD2-CG 4.21Å; L566-K619 HydrophobicContact CG-CG 4Å; L566-I622 HydrophobicContact CB-CD1 3.95Å; L566-I622 HydrophobicContact CD2-CD1 3.79Å; L566-I622 HydrophobicContact CG-CD1 4.12Å
567T87.4Confident87.1Confident97 Ų9761.6 Ų61.660%0.59532%0.323SS*.G310 helixtrans-65.1-29171.344.30000113E565 I622E565-T567 PolarHBondContact O-N 2.87Å; T567-I622 HydrophobicContact CG2-CD1 4.48Å
568S90.3Very high87.3Confident29 Ų2960.9 Ų60.920%0.20332%0.316CS..G310 helixtrans-82.5-14.3177.5-58.20000113.2E565 L566 T570 I586 R587E565-S568 WeakPolarHBondContact O-CB 3.38Å; E565-S568 PolarHBondContact O-N 2.89Å; L566-S568 VanDerWaalsContact C-N 3.29Å; S568-T570 PolarHBondContact O-N 3.2Å; S568-I586 WeakPolarHBondContact O-CA 3.26Å; S568-R587 PolarHBondContact O-N 2.9Å
569V92.4Very high87.5Confident2 Ų259.8 Ų59.81%0.01231%0.31CS..EExtended strand (participates in β ladder)trans-75.3113.7174.1-1770000108L550 E565 L566 F572 F584 V585 I586 I615 K619L550-V569 HydrophobicContact CD1-CG2 3.67Å; L550-V569 HydrophobicContact CG-CG2 4.36Å; E565-V569 PolarHBondContact O-N 3.01Å; L566-V569 HydrophobicContact CD1-CG2 4.25Å; L566-V569 PolarHBondContact O-N 2.78Å; V569-F572 HydrophobicContact CG1-CB 4.5Å; V569-F572 HydrophobicContact CG1-CD1 4.06Å; V569-F584 HydrophobicContact CG1-CB 4.1Å; V569-V585 CarbonylContact C-O 3.57Å; V569-V585 WeakPolarHBondContact CA-O 3.21Å; V569-I586 HydrophobicContact CB-CD1 4.24Å; V569-I586 HydrophobicContact CG2-CD1 3.53Å; V569-I615 HydrophobicContact CG1-CG2 4.43Å; V569-K619 WeakPolarHBondContact O-CE 3.42Å; V569-K619 PolarHBondContact O-NZ 3.07Å
570T91.8Very high88Confident30 Ų3062.3 Ų62.318%0.18431%0.31CS..EExtended strand (participates in β ladder)trans-94.8-46.4-176.752.90000111.4D513 S568 V585 R587D513-T570 VanDerWaalsContact CB-OG1 3.29Å; D513-T570 WeakPolarHBondContact CB-OG1 3.47Å; D513-T570 VanDerWaalsContact OD2-CB 3.28Å; D513-T570 WeakPolarHBondContact OD2-CB 3.32Å; D513-T570 WeakPolarHBondContact OD2-CG2 3.4Å; D513-T570 PolarHBondContact OD2-OG1 2.98Å; S568-T570 PolarHBondContact O-N 3.2Å; T570-V585 PolarHBondContact N-O 2.86Å; T570-V585 PolarHBondContact OG1-O 3.23Å; T570-R587 HydrophobicContact CG2-CB 3.85Å
571Q93.3Very high88.7Confident53 Ų5359.8 Ų59.825%0.24829%0.292CS..EExtended strand (participates in β ladder)trans-128.9151.6176.3-61.8-63.5-18.900111.2D513 T516 I519 F584 V585D513-Q571 HydrophobicContact CB-CG 4.44Å; D513-Q571 WeakPolarHBondContact O-CG 3.49Å; D513-Q571 PolarHBondContact O-NE2 3.33Å; T516-Q571 HydrophobicContact CG2-CB 4.49Å; I519-Q571 HydrophobicContact CD1-CB 3.97Å; Q571-F584 CarbonylContact O-C 3.52Å; Q571-F584 VanDerWaalsContact O-CA 3.25Å; Q571-F584 WeakPolarHBondContact O-CA 3.36Å; Q571-F584 WeakPolarHBondContact O-CB 3.26Å; Q571-V585 HydrophobicContact CB-CB 4.2Å; Q571-V585 HydrophobicContact CB-CG2 3.9Å; Q571-V585 PolarHBondContact O-N 3.04Å
572F95.1Very high89.4Confident41 Ų4156.1 Ų56.118%0.1828%0.278CS..EExtended strand (participates in β ladder)trans-151.5141.1172.754-87.8000109.9V569 G583 F584 C612 I615 N616 K619V569-F572 HydrophobicContact CG1-CB 4.5Å; V569-F572 HydrophobicContact CG1-CD1 4.06Å; F572-G583 WeakPolarHBondContact CA-O 3.43Å; F572-F584 HydrophobicContact CB-CB 3.79Å; F572-C612 HydrophobicContact CD2-CB 3.88Å; F572-C612 HydrophobicContact CE2-CB 4.18Å; F572-C612 VanDerWaalsContact CE2-O 3.28Å; F572-C612 WeakPolarHBondContact CE2-O 3.42Å; F572-I615 HydrophobicContact CB-CD1 4.36Å; F572-I615 HydrophobicContact CB-CG2 4.49Å; F572-I615 HydrophobicContact CD1-CG2 3.49Å; F572-I615 VanDerWaalsContact CD1-CG2 3.49Å; F572-I615 HydrophobicContact CD2-CB 4.27Å; F572-I615 HydrophobicContact CD2-CG2 4.08Å; F572-I615 HydrophobicContact CE1-CG2 3.59Å; F572-I615 HydrophobicContact CE2-CB 4.31Å; F572-I615 HydrophobicContact CE2-CG2 4.16Å; F572-I615 HydrophobicContact CG-CB 4.38Å; F572-I615 HydrophobicContact CG-CG2 3.76Å; F572-I615 HydrophobicContact CZ-CB 4.46Å; F572-I615 HydrophobicContact CZ-CG2 3.92Å; F572-N616 HydrophobicContact CE2-CB 4.08Å; F572-N616 HydrophobicContact CZ-CB 3.84Å; F572-K619 HydrophobicContact CE1-CD 4.04Å
573A94.3Very high89.8Confident7 Ų755.3 Ų55.36%0.05827%0.271CS..EExtended strand (participates in β ladder)trans-153145-178.100000111.7T516 I519 Y520 G583 C612T516-A573 HydrophobicContact CG2-CB 4.34Å; I519-A573 HydrophobicContact CD1-CB 3.91Å; I519-A573 HydrophobicContact CG2-CB 4.42Å; Y520-A573 HydrophobicContact CE1-CB 4.11Å; A573-G583 PolarHBondContact N-O 3.38Å; A573-G583 PolarHBondContact O-N 3.48Å; A573-C612 VanDerWaalsContact C-SG 3.54Å
574A91.9Very high90.2Very high14 Ų1450.7 Ų50.712%0.11625%0.247CC..EExtended strand (participates in β ladder)trans-95.9148.2166.300000109.2L581 E609 C612A574-L581 WeakPolarHBondContact CA-O 3.28Å; A574-E609 HydrophobicContact CB-CG 3.96Å; A574-C612 PolarHBondContact N-SG 2.91Å; A574-C612 VanDerWaalsContact N-SG 3.39Å
575H89.9Confident90.4Very high53 Ų5349.7 Ų49.725%0.24524%0.242CC..  trans-72.5134.8179.4-169.6-63.8000110.8M523 E577 N578 L581M523-H575 HydrophobicContact SD-CB 4.02Å; H575-E577 PolarHBondContact ND1-N 3.03Å; H575-E577 VanDerWaalsContact ND1-N 3.16Å; H575-E577 PolarHBondContact O-N 3.49Å; H575-N578 WeakPolarHBondContact CB-O 3.33Å; H575-N578 PolarHBondContact ND1-N 2.89Å; H575-L581 HydrophobicContact CB-CB 3.66Å; H575-L581 HydrophobicContact CB-CD1 4.39Å; H575-L581 PolarHBondContact N-O 3.36Å
576Q81.6Confident90.5Very high150 Ų15044.1 Ų44.170%0.70122%0.216SC*.SBendtrans-63-41.8-172.6-62-178.711.300113.2
577E79.9Confident90.6Very high131 Ų13148.3 Ų48.361%0.61223%0.232SC*.SBendtrans-92-49.9-179.9-65.3169.6-149.100113.6N72 H575 K579N72-E577 PolarHBondContact ND2-OE1 3.06Å; N72-E577 PolarHBondContact ND2-OE2 2.84Å; H575-E577 PolarHBondContact ND1-N 3.03Å; H575-E577 VanDerWaalsContact ND1-N 3.16Å; H575-E577 PolarHBondContact O-N 3.49Å; E577-K579 PolarHBondContact O-N 3.22Å
578N84.7Confident90.3Very high67 Ų6746.7 Ų46.736%0.35822%0.219SC..  trans-87.788.4176.5-171.6-14.3000110.4H575 R580 L581H575-N578 WeakPolarHBondContact CB-O 3.33Å; H575-N578 PolarHBondContact ND1-N 2.89Å; N578-R580 PolarHBondContact O-N 3.22Å; N578-R580 WeakPolarHBondContact OD1-CB 3.5Å; N578-R580 PolarHBondContact OD1-N 2.84Å; N578-R580 VanDerWaalsContact OD1-N 3.13Å; N578-L581 HydrophobicContact CB-CD1 3.88Å; N578-L581 HydrophobicContact CB-CG 4.09Å; N578-L581 PolarHBondContact O-N 2.69Å
579K83.8Confident89.5Confident102 Ų10250.4 Ų50.444%0.44324%0.243SC..THydrogen-bonded Turntrans-53.6-15.1179.3-67.2-173.3165.3-164.90115E577 E607 G608E577-K579 PolarHBondContact O-N 3.22Å; K579-E607 HydrophobicContact CB-CG 4.4Å; K579-E607 HydrophobicContact CD-CG 4.25Å; K579-E607 WeakPolarHBondContact CD-OE1 3.46Å; K579-E607 IonicContact NZ-OE1 2.84Å; K579-E607 PolarHBondContact NZ-OE1 3.12Å; K579-E607 CarbonylContact O-C 3.55Å; K579-E607 WeakPolarHBondContact O-CA 3.29Å; K579-G608 PolarHBondContact O-N 3.26Å
580R89.8Confident88.4Confident139 Ų13954.8 Ų54.853%0.52526%0.263SS..THydrogen-bonded Turntrans-86.5-16.8177.3-67.2-175.8174.5173.5-0.9113.4N578 E603 S604N578-R580 PolarHBondContact O-N 3.22Å; N578-R580 WeakPolarHBondContact OD1-CB 3.5Å; N578-R580 PolarHBondContact OD1-N 2.84Å; N578-R580 VanDerWaalsContact OD1-N 3.13Å; R580-E603 HydrophobicContact CB-CG 4.18Å; R580-E603 CarbonylContact O-C 3.56Å; R580-E603 WeakPolarHBondContact O-CA 3.45Å; R580-S604 WeakPolarHBondContact CB-O 3.34Å; R580-S604 WeakPolarHBondContact CG-O 3.33Å; R580-S604 PolarHBondContact O-N 2.95Å
581L92.5Very high86.7Confident5 Ų559.7 Ų59.73%0.02630%0.298CS..EExtended strand (participates in β ladder)trans-87132.6-178.8-66.7176000111.2L505 M523 L527 A574 H575 N578 E603L505-L581 HydrophobicContact CD1-CD2 3.38Å; M523-L581 HydrophobicContact CE-CB 4.24Å; M523-L581 HydrophobicContact SD-CB 4.29Å; L527-L581 HydrophobicContact CD1-CD1 3.75Å; A574-L581 WeakPolarHBondContact CA-O 3.28Å; H575-L581 HydrophobicContact CB-CB 3.66Å; H575-L581 HydrophobicContact CB-CD1 4.39Å; H575-L581 PolarHBondContact N-O 3.36Å; N578-L581 HydrophobicContact CB-CD1 3.88Å; N578-L581 HydrophobicContact CB-CG 4.09Å; N578-L581 PolarHBondContact O-N 2.69Å; L581-E603 HydrophobicContact CD2-CB 4.48Å
582V95.6Very high85Confident1 Ų162.2 Ų62.21%0.00632%0.318CS..EExtended strand (participates in β ladder)trans-141.9145.3176.363.90000109.8F602 I611V582-F602 HydrophobicContact CG1-CB 4.05Å; V582-F602 PolarHBondContact N-O 2.74Å; V582-F602 PolarHBondContact O-N 3.21Å; V582-I611 HydrophobicContact CG1-CD1 3.93Å; V582-I611 HydrophobicContact CG2-CB 4.39Å; V582-I611 HydrophobicContact CG2-CG2 4.3Å
583G94.7Very high83.1Confident0 Ų063.7 Ų63.70%035%0.345CS..EExtended strand (participates in β ladder)trans-146.4158.617500000112.4M523 F572 A573 Y600M523-G583 VanDerWaalsContact CE-N 3.32Å; F572-G583 WeakPolarHBondContact CA-O 3.43Å; A573-G583 PolarHBondContact N-O 3.38Å; A573-G583 PolarHBondContact O-N 3.48Å; G583-Y600 WeakPolarHBondContact CA-O 3.21Å
584F95.7Very high81.3Confident0 Ų070.6 Ų70.60%038%0.375CS..EExtended strand (participates in β ladder)trans-145.5150.1175.853.7-99.6000111.3L550 F564 V569 Q571 F572 I586 T599 Y600 F602L550-F584 HydrophobicContact CD1-CD1 4.45Å; L550-F584 HydrophobicContact CD1-CD2 4.5Å; L550-F584 HydrophobicContact CD1-CE1 4.28Å; L550-F584 HydrophobicContact CD1-CE2 4.33Å; L550-F584 HydrophobicContact CD1-CZ 4.21Å; F564-F584 HydrophobicContact CD2-CE2 4.17Å; F564-F584 HydrophobicContact CD2-CZ 4.28Å; F564-F584 HydrophobicContact CE2-CE2 4.29Å; F564-F584 HydrophobicContact CE2-CZ 4.27Å; V569-F584 HydrophobicContact CG1-CB 4.1Å; Q571-F584 CarbonylContact O-C 3.52Å; Q571-F584 VanDerWaalsContact O-CA 3.25Å; Q571-F584 WeakPolarHBondContact O-CA 3.36Å; Q571-F584 WeakPolarHBondContact O-CB 3.26Å; F572-F584 HydrophobicContact CB-CB 3.79Å; F584-I586 HydrophobicContact CD2-CD1 3.55Å; F584-I586 HydrophobicContact CD2-CG1 3.8Å; F584-I586 HydrophobicContact CE2-CD1 3.73Å; F584-I586 HydrophobicContact CE2-CG1 3.85Å; F584-T599 WeakPolarHBondContact O-CA 3.37Å; F584-Y600 HydrophobicContact CE2-CD2 4.24Å; F584-Y600 HydrophobicContact CE2-CG 4.29Å; F584-Y600 PolarHBondContact N-O 3.36Å; F584-Y600 VanDerWaalsContact N-O 3.11Å; F584-Y600 PolarHBondContact O-N 3.22Å; F584-F602 HydrophobicContact CD1-CE2 4.34Å; F584-F602 AromaticContact CE1-CD2 3.9Å; F584-F602 HydrophobicContact CE1-CD2 3.9Å; F584-F602 AromaticContact CE1-CE2 3.42Å; F584-F602 HydrophobicContact CE1-CE2 3.42Å; F584-F602 VanDerWaalsContact CE1-CE2 3.42Å; F584-F602 HydrophobicContact CE1-CZ 4.32Å; F584-F602 HydrophobicContact CE2-CE2 4.42Å; F584-F602 HydrophobicContact CZ-CD2 4.4Å; F584-F602 AromaticContact CZ-CE2 3.48Å; F584-F602 HydrophobicContact CZ-CE2 3.48Å; F584-F602 VanDerWaalsContact CZ-CE2 3.48Å; F584-F602 HydrophobicContact CZ-CZ 4.06Å
585V95Very high80.4Confident0 Ų075.8 Ų75.80%040%0.397CS..EExtended strand (participates in β ladder)trans-98.5127.2178.4-173.50000108.5V510 D513 V518 I519 V569 T570 Q571 L597V510-V585 HydrophobicContact CG2-CG1 4.07Å; D513-V585 HydrophobicContact CB-CG1 4.14Å; V518-V585 HydrophobicContact CG1-CG2 3.85Å; I519-V585 HydrophobicContact CD1-CG2 4.1Å; I519-V585 HydrophobicContact CG1-CG2 3.73Å; V569-V585 CarbonylContact C-O 3.57Å; V569-V585 WeakPolarHBondContact CA-O 3.21Å; T570-V585 PolarHBondContact N-O 2.86Å; T570-V585 PolarHBondContact OG1-O 3.23Å; Q571-V585 HydrophobicContact CB-CB 4.2Å; Q571-V585 HydrophobicContact CB-CG2 3.9Å; Q571-V585 PolarHBondContact O-N 3.04Å; V585-L597 HydrophobicContact CG1-CB 4.38Å; V585-L597 HydrophobicContact CG1-CD2 4.37Å
586I92.6Very high80.1Confident5 Ų574.7 Ų74.73%0.02640%0.396CS..EExtended strand (participates in β ladder)trans-108.2132.1174.9-57.2-59.5000109F564 S568 V569 F584 I588 L597 S598 Y600F564-I586 HydrophobicContact CB-CD1 3.94Å; F564-I586 HydrophobicContact CD1-CD1 4.16Å; F564-I586 HydrophobicContact CD1-CG1 3.87Å; F564-I586 HydrophobicContact CD1-CG2 4.25Å; F564-I586 HydrophobicContact CE1-CG1 4.3Å; F564-I586 HydrophobicContact CG-CD1 4.12Å; F564-I586 HydrophobicContact CG-CG1 4.28Å; S568-I586 WeakPolarHBondContact O-CA 3.26Å; V569-I586 HydrophobicContact CB-CD1 4.24Å; V569-I586 HydrophobicContact CG2-CD1 3.53Å; F584-I586 HydrophobicContact CD2-CD1 3.55Å; F584-I586 HydrophobicContact CD2-CG1 3.8Å; F584-I586 HydrophobicContact CE2-CD1 3.73Å; F584-I586 HydrophobicContact CE2-CG1 3.85Å; I586-I588 HydrophobicContact CG2-CG1 3.88Å; I586-L597 WeakPolarHBondContact O-CA 3.45Å; I586-S598 PolarHBondContact N-O 3.49Å; I586-S598 PolarHBondContact O-N 3.44Å; I586-Y600 HydrophobicContact CB-CD2 4.41Å; I586-Y600 HydrophobicContact CB-CE2 4.03Å; I586-Y600 HydrophobicContact CG1-CD2 3.81Å; I586-Y600 HydrophobicContact CG1-CE2 3.79Å
587R90.1Very high80.6Confident88 Ų8868.4 Ų68.433%0.33237%0.367SS..EExtended strand (participates in β ladder)trans-93.7118.5168.1-175.3-175.1-65.7-160.69.3110.3D513 S568 T570 E595 L597D513-R587 IonicContact OD1-NH2 2.89Å; D513-R587 IonicContact OD2-CZ 2.85Å; D513-R587 IonicContact OD2-NE 3.32Å; D513-R587 IonicContact OD2-NH2 2.76Å; D513-R587 PolarHBondContact OD2-NH2 3.22Å; S568-R587 PolarHBondContact O-N 2.9Å; T570-R587 HydrophobicContact CG2-CB 3.85Å; R587-E595 VanDerWaalsContact CD-OE2 3.26Å; R587-E595 WeakPolarHBondContact CD-OE2 3.42Å; R587-E595 HydrophobicContact CG-CB 4.36Å; R587-E595 IonicContact CZ-OE2 3.23Å; R587-E595 IonicContact NE-OE2 3.41Å; R587-E595 PolarHBondContact NE-OE2 2.92Å; R587-E595 IonicContact NH1-OE1 3.89Å; R587-E595 IonicContact NH1-OE2 2.95Å; R587-E595 PolarHBondContact NH1-OE2 2.89Å; R587-L597 HydrophobicContact CB-CD2 3.77Å; R587-L597 HydrophobicContact CG-CD2 3.92Å
588I82.2Confident81.1Confident64 Ų6463.3 Ų63.333%0.32835%0.345SS..EExtended strand (participates in β ladder)trans-108.9120.3179.7-53.3176000108I586 E590 S596I586-I588 HydrophobicContact CG2-CG1 3.88Å; I588-E590 PolarHBondContact O-N 3.47Å; I588-S596 PolarHBondContact N-O 2.94Å; I588-S596 PolarHBondContact O-N 3.32Å
589P71.7Confident81.5Confident107 Ų10760.1 Ų60.170%0.69533%0.328SS*.EExtended strand (participates in β ladder)trans-74.1119.1173.726.6-29.2000110.3
590E70.3Confident82Confident93 Ų9356.6 Ų56.644%0.43531%0.313SS..  trans-89.9151.6174-57.1-167.2165.700112.3I588 T592 G593 E594 S596I588-E590 PolarHBondContact O-N 3.47Å; E590-T592 PolarHBondContact O-N 3.05Å; E590-T592 VanDerWaalsContact O-N 3.08Å; E590-G593 PolarHBondContact O-N 3.39Å; E590-E594 VanDerWaalsContact CB-O 3.31Å; E590-E594 WeakPolarHBondContact CB-O 3.5Å; E590-E594 PolarHBondContact N-O 3.23Å; E590-S596 WeakPolarHBondContact CG-OG 3.17Å; E590-S596 WeakPolarHBondContact OE1-CB 3.18Å; E590-S596 PolarHBondContact OE1-OG 3.43Å
591S56.8Low82.2Confident133 Ų13350 Ų5093%0.9329%0.288SS*.THydrogen-bonded Turntrans-64.2-11.9179.452.40000114.7
592T57.3Low82.3Confident107 Ų10749.8 Ų49.866%0.65629%0.287SS*.THydrogen-bonded Turntrans-91.4-7.9-177.744.80000113.6E590E590-T592 PolarHBondContact O-N 3.05Å; E590-T592 VanDerWaalsContact O-N 3.08Å
593G54.2Low82.2Confident72 Ų7251.7 Ų51.774%0.74230%0.296SS*.SBendtrans90.1-2.1179.700000115.2E590E590-G593 PolarHBondContact O-N 3.39Å
594E57.3Low82.1Confident151 Ų15151.7 Ų51.771%0.70630%0.296SS*.PPolyproline II helixtrans-92.7133.7166.4-69.2-172.6162.800109.5E590E590-E594 VanDerWaalsContact CB-O 3.31Å; E590-E594 WeakPolarHBondContact CB-O 3.5Å; E590-E594 PolarHBondContact N-O 3.23Å
595E73.1Confident81.5Confident123 Ų12355.5 Ų55.558%0.57532%0.316SS*.EExtended strand (participates in β ladder)trans-83.9124.2175.5-62.8-176.9166.700108.9R587R587-E595 VanDerWaalsContact CD-OE2 3.26Å; R587-E595 WeakPolarHBondContact CD-OE2 3.42Å; R587-E595 HydrophobicContact CG-CB 4.36Å; R587-E595 IonicContact CZ-OE2 3.23Å; R587-E595 IonicContact NE-OE2 3.41Å; R587-E595 PolarHBondContact NE-OE2 2.92Å; R587-E595 IonicContact NH1-OE1 3.89Å; R587-E595 IonicContact NH1-OE2 2.95Å; R587-E595 PolarHBondContact NH1-OE2 2.89Å
596S83.9Confident80.9Confident31 Ų3156.8 Ų56.822%0.21733%0.325CS..EExtended strand (participates in β ladder)trans-95.4130.8174.858.60000111.4I588 E590I588-S596 PolarHBondContact N-O 2.94Å; I588-S596 PolarHBondContact O-N 3.32Å; E590-S596 WeakPolarHBondContact CG-OG 3.17Å; E590-S596 WeakPolarHBondContact OE1-CB 3.18Å; E590-S596 PolarHBondContact OE1-OG 3.43Å
597L90.9Very high80.4Confident18 Ų1858.2 Ų58.29%0.09433%0.331CS..EExtended strand (participates in β ladder)trans-104.8129.5178-62.5171000109A509 V510 D513 V585 I586 R587A509-L597 CarbonylContact C-O 3.53Å; A509-L597 WeakPolarHBondContact CA-O 3.46Å; V510-L597 HydrophobicContact CG2-CB 3.59Å; V510-L597 PolarHBondContact N-O 2.98Å; D513-L597 HydrophobicContact CB-CD1 4.01Å; D513-L597 HydrophobicContact CB-CD2 4.12Å; V585-L597 HydrophobicContact CG1-CB 4.38Å; V585-L597 HydrophobicContact CG1-CD2 4.37Å; I586-L597 WeakPolarHBondContact O-CA 3.45Å; R587-L597 HydrophobicContact CB-CD2 3.77Å; R587-L597 HydrophobicContact CG-CD2 3.92Å
598S91Very high80.1Confident23 Ų2354 Ų5416%0.16132%0.315CS..EExtended strand (participates in β ladder)trans-130.7132.6177-69.10000110.8M508 I586M508-S598 WeakPolarHBondContact O-CA 3.45Å; I586-S598 PolarHBondContact N-O 3.49Å; I586-S598 PolarHBondContact O-N 3.44Å
599T93.4Very high80.4Confident0 Ų056.1 Ų56.10%032%0.324CS..EExtended strand (participates in β ladder)trans-98.9132.4175.8-60.10000109.9S507 M508 V510 I519 A522 F584 I601S507-T599 WeakPolarHBondContact CA-O 3.22Å; S507-T599 WeakPolarHBondContact CB-O 3.34Å; M508-T599 PolarHBondContact N-O 3.13Å; M508-T599 VanDerWaalsContact N-O 3.11Å; M508-T599 PolarHBondContact O-N 2.76Å; V510-T599 WeakPolarHBondContact CG1-OG1 3.43Å; I519-T599 HydrophobicContact CG1-CG2 4.31Å; I519-T599 HydrophobicContact CG2-CG2 4.5Å; A522-T599 HydrophobicContact CB-CG2 3.76Å; F584-T599 WeakPolarHBondContact O-CA 3.37Å; T599-I601 HydrophobicContact CG2-CD1 3.6Å; T599-I601 HydrophobicContact CG2-CG1 4.39Å
600Y93.8Very high81.1Confident29 Ų2952.1 Ų52.111%0.11430%0.295CS..EExtended strand (participates in β ladder)trans-114.4128.8178.2-65-100.6000110I460 F504 F564 G583 F584 I586I460-Y600 HydrophobicContact CD1-CD1 4.3Å; I460-Y600 HydrophobicContact CD1-CE1 4.42Å; F504-Y600 AromaticContact CE2-CD1 3.94Å; F504-Y600 HydrophobicContact CE2-CD1 3.94Å; F504-Y600 HydrophobicContact CZ-CD1 4.47Å; F564-Y600 HydrophobicContact CE1-CE1 4.12Å; F564-Y600 HydrophobicContact CE1-CE2 4.01Å; F564-Y600 AromaticContact CE1-CZ 3.76Å; F564-Y600 HydrophobicContact CZ-CD1 4.13Å; F564-Y600 AromaticContact CZ-CE1 3.86Å; F564-Y600 HydrophobicContact CZ-CE1 3.86Å; F564-Y600 HydrophobicContact CZ-CE2 4.37Å; F564-Y600 AromaticContact CZ-CZ 3.99Å; G583-Y600 WeakPolarHBondContact CA-O 3.21Å; F584-Y600 HydrophobicContact CE2-CD2 4.24Å; F584-Y600 HydrophobicContact CE2-CG 4.29Å; F584-Y600 PolarHBondContact N-O 3.36Å; F584-Y600 VanDerWaalsContact N-O 3.11Å; F584-Y600 PolarHBondContact O-N 3.22Å; I586-Y600 HydrophobicContact CB-CD2 4.41Å; I586-Y600 HydrophobicContact CB-CE2 4.03Å; I586-Y600 HydrophobicContact CG1-CD2 3.81Å; I586-Y600 HydrophobicContact CG1-CE2 3.79Å
601I94.9Very high82Confident0 Ų047.7 Ų47.70%028%0.275CS..EExtended strand (participates in β ladder)trans-115.7133.7-175.4-53.3-55000110.6L505 G506 I519 A522 M523 V526 T599L505-I601 HydrophobicContact CB-CB 4.45Å; L505-I601 HydrophobicContact CB-CG2 4.17Å; L505-I601 HydrophobicContact CD1-CG2 4.03Å; L505-I601 PolarHBondContact N-O 3.37Å; G506-I601 PolarHBondContact N-O 3.1Å; G506-I601 PolarHBondContact O-N 3.07Å; I519-I601 HydrophobicContact CG2-CD1 4.08Å; A522-I601 HydrophobicContact CB-CD1 4.31Å; M523-I601 HydrophobicContact CE-CD1 4.34Å; M523-I601 HydrophobicContact CG-CD1 3.59Å; M523-I601 HydrophobicContact CG-CG1 4.16Å; M523-I601 HydrophobicContact CG-CG2 3.78Å; V526-I601 HydrophobicContact CG2-CG1 4.34Å; T599-I601 HydrophobicContact CG2-CD1 3.6Å; T599-I601 HydrophobicContact CG2-CG1 4.39Å
602F94.8Very high83.6Confident1 Ų142.2 Ų42.20%0.00424%0.236CC..EExtended strand (participates in β ladder)trans-133.8152-177.7-57.9-93.4000112.2I460 V502 R503 F504 L552 V582 F584I460-F602 HydrophobicContact CD1-CZ 4.48Å; V502-F602 HydrophobicContact CB-CB 4.22Å; V502-F602 HydrophobicContact CB-CD1 4.23Å; V502-F602 HydrophobicContact CG2-CD1 3.89Å; V502-F602 HydrophobicContact CG2-CE1 4.46Å; R503-F602 CarbonylContact O-C 3.5Å; R503-F602 VanDerWaalsContact O-CA 3.26Å; R503-F602 WeakPolarHBondContact O-CA 3.25Å; F504-F602 HydrophobicContact CB-CD1 4.15Å; F504-F602 HydrophobicContact CB-CE1 4.02Å; F504-F602 HydrophobicContact CD2-CD1 4.04Å; F504-F602 AromaticContact CD2-CE1 3.52Å; F504-F602 HydrophobicContact CD2-CE1 3.52Å; F504-F602 AromaticContact CD2-CZ 3.8Å; F504-F602 HydrophobicContact CD2-CZ 3.8Å; F504-F602 HydrophobicContact CE2-CE1 4.46Å; F504-F602 HydrophobicContact CE2-CZ 4.33Å; F504-F602 HydrophobicContact CG-CE1 4.22Å; L552-F602 HydrophobicContact CD1-CE1 3.65Å; L552-F602 HydrophobicContact CD1-CZ 3.72Å; L552-F602 HydrophobicContact CD2-CE1 3.99Å; L552-F602 HydrophobicContact CG-CE1 4.48Å; V582-F602 HydrophobicContact CG1-CB 4.05Å; V582-F602 PolarHBondContact N-O 2.74Å; V582-F602 PolarHBondContact O-N 3.21Å; F584-F602 HydrophobicContact CD1-CE2 4.34Å; F584-F602 AromaticContact CE1-CD2 3.9Å; F584-F602 HydrophobicContact CE1-CD2 3.9Å; F584-F602 AromaticContact CE1-CE2 3.42Å; F584-F602 HydrophobicContact CE1-CE2 3.42Å; F584-F602 VanDerWaalsContact CE1-CE2 3.42Å; F584-F602 HydrophobicContact CE1-CZ 4.32Å; F584-F602 HydrophobicContact CE2-CE2 4.42Å; F584-F602 HydrophobicContact CZ-CD2 4.4Å; F584-F602 AromaticContact CZ-CE2 3.48Å; F584-F602 HydrophobicContact CZ-CE2 3.48Å; F584-F602 VanDerWaalsContact CZ-CE2 3.48Å; F584-F602 HydrophobicContact CZ-CZ 4.06Å
603E93.3Very high85.1Confident41 Ų4141.4 Ų41.419%0.19222%0.222CC..EExtended strand (participates in β ladder)trans-102.3120162.8-179-170.1-117.400109V502 R503 L505 R580 L581V502-E603 CarbonylContact C-O 3.37Å; V502-E603 VanDerWaalsContact CA-O 3.29Å; V502-E603 WeakPolarHBondContact CA-O 3.2Å; R503-E603 HydrophobicContact CB-CB 4.33Å; R503-E603 PolarHBondContact N-O 3.4Å; R503-E603 IonicContact NH1-OE2 3.74Å; R503-E603 PolarHBondContact NH1-OE2 3.47Å; R503-E603 PolarHBondContact O-N 2.88Å; L505-E603 HydrophobicContact CD1-CB 4.06Å; L505-E603 HydrophobicContact CD2-CB 4.21Å; L505-E603 HydrophobicContact CG-CB 4.21Å; R580-E603 HydrophobicContact CB-CG 4.18Å; R580-E603 CarbonylContact O-C 3.56Å; R580-E603 WeakPolarHBondContact O-CA 3.45Å; L581-E603 HydrophobicContact CD2-CB 4.48Å
604S91.5Very high86.7Confident0 Ų038 Ų380%019%0.187CC..EExtended strand (participates in β ladder)trans-88.9148.3173-172.80000111.5R580 S606R580-S604 WeakPolarHBondContact CB-O 3.34Å; R580-S604 WeakPolarHBondContact CG-O 3.33Å; R580-S604 PolarHBondContact O-N 2.95Å; S604-S606 WeakPolarHBondContact CB-O 3.33Å; S604-S606 PolarHBondContact O-N 2.91Å; S604-S606 PolarHBondContact OG-N 2.7Å; S604-S606 VanDerWaalsContact OG-N 3.09Å; S604-S606 PolarHBondContact OG-OG 2.93Å
605N84.1Confident88.2Confident80 Ų8030.8 Ų30.843%0.42815%0.153SC..SBendtrans-71.5-16.4166.471.8-24.2000113.1I501I501-N605 HydrophobicContact CB-CB 4.35Å; I501-N605 WeakPolarHBondContact CB-ND2 3.41Å; I501-N605 PolarHBondContact O-N 2.89Å; I501-N605 PolarHBondContact O-OD1 2.87Å; I501-N605 VanDerWaalsContact O-OD1 3.09Å
606S81.4Confident89Confident26 Ų2628 Ų2818%0.18214%0.142CC..SBendtrans-112.6-174.4179.470.20000110.8S604 G608S604-S606 WeakPolarHBondContact CB-O 3.33Å; S604-S606 PolarHBondContact O-N 2.91Å; S604-S606 PolarHBondContact OG-N 2.7Å; S604-S606 VanDerWaalsContact OG-N 3.09Å; S604-S606 PolarHBondContact OG-OG 2.93Å; S606-G608 PolarHBondContact O-N 3.49Å
607E82.4Confident89.1Confident35 Ų3526.7 Ų26.716%0.16413%0.132CC..  trans-73.7123.2173.6-61.4177.3135.400109.9K579 E609 K610 N650K579-E607 HydrophobicContact CB-CG 4.4Å; K579-E607 HydrophobicContact CD-CG 4.25Å; K579-E607 WeakPolarHBondContact CD-OE1 3.46Å; K579-E607 IonicContact NZ-OE1 2.84Å; K579-E607 PolarHBondContact NZ-OE1 3.12Å; K579-E607 CarbonylContact O-C 3.55Å; K579-E607 WeakPolarHBondContact O-CA 3.29Å; E607-E609 PolarHBondContact O-N 2.67Å; E607-E609 VanDerWaalsContact O-N 3.15Å; E607-K610 HydrophobicContact CB-CG 4.27Å; E607-K610 VanDerWaalsContact O-CB 3.31Å; E607-K610 WeakPolarHBondContact O-CB 3.48Å; E607-K610 PolarHBondContact O-N 3.29Å; E607-K610 WeakPolarHBondContact OE2-CE 3.33Å; E607-N650 PolarHBondContact OE2-ND2 3.39Å
608G84.9Confident88.9Confident0 Ų025.8 Ų25.80%013%0.128CC..Hα-helixtrans-57.7-25.9178.800000113.3K579 S606 K610 I611 C612K579-G608 PolarHBondContact O-N 3.26Å; S606-G608 PolarHBondContact O-N 3.49Å; G608-K610 PolarHBondContact O-N 3.26Å; G608-I611 WeakPolarHBondContact O-CB 3.44Å; G608-I611 PolarHBondContact O-N 3.44Å; G608-C612 PolarHBondContact O-N 2.89Å
609E88.1Confident88.7Confident108 Ų10827.5 Ų27.551%0.50513%0.132SC..Hα-helixtrans-58-32.6171.7-68.2-176.7170.800112.5A574 E607 I611 C612 Y613A574-E609 HydrophobicContact CB-CG 3.96Å; E607-E609 PolarHBondContact O-N 2.67Å; E607-E609 VanDerWaalsContact O-N 3.15Å; E609-I611 VanDerWaalsContact C-N 3.32Å; E609-I611 PolarHBondContact O-N 2.92Å; E609-C612 PolarHBondContact O-N 3.06Å; E609-Y613 WeakPolarHBondContact O-CB 3.39Å; E609-Y613 PolarHBondContact O-N 2.88Å
610K85.9Confident88.3Confident23 Ų2331.2 Ų31.210%0.115%0.15CC..Hα-helixtrans-66.6-36.9175.9-57.8-176.7-166-173.30111.4F500 E607 G608 Y613 A614 L648 L649F500-K610 HydrophobicContact CE1-CB 3.89Å; F500-K610 HydrophobicContact CZ-CB 4.42Å; E607-K610 HydrophobicContact CB-CG 4.27Å; E607-K610 VanDerWaalsContact O-CB 3.31Å; E607-K610 WeakPolarHBondContact O-CB 3.48Å; E607-K610 PolarHBondContact O-N 3.29Å; E607-K610 WeakPolarHBondContact OE2-CE 3.33Å; G608-K610 PolarHBondContact O-N 3.26Å; K610-Y613 PolarHBondContact O-N 3.48Å; K610-A614 WeakPolarHBondContact O-CB 3.23Å; K610-A614 PolarHBondContact O-N 2.97Å; K610-L648 HydrophobicContact CD-CD2 3.88Å; K610-L648 HydrophobicContact CD-CG 4.22Å; K610-L649 WeakPolarHBondContact CE-O 3.26Å; K610-L649 PolarHBondContact NZ-O 3.33Å
611I88.3Confident87.9Confident0 Ų029.9 Ų29.90%014%0.144CC..Hα-helixtrans-68.3-44.5175-62.3169.2000109.7F500 V502 L543 V582 G608 E609 Y613 A614 I615F500-I611 HydrophobicContact CB-CD1 3.98Å; F500-I611 HydrophobicContact CB-CG1 4Å; F500-I611 HydrophobicContact CD1-CD1 4.34Å; F500-I611 HydrophobicContact CD1-CG1 3.63Å; F500-I611 HydrophobicContact CD2-CG1 3.76Å; F500-I611 HydrophobicContact CE1-CG1 3.97Å; F500-I611 HydrophobicContact CE2-CG1 4.08Å; F500-I611 HydrophobicContact CG-CD1 4.07Å; F500-I611 HydrophobicContact CG-CG1 3.51Å; F500-I611 HydrophobicContact CZ-CG1 4.17Å; V502-I611 HydrophobicContact CG1-CD1 3.89Å; L543-I611 HydrophobicContact CD2-CD1 4.41Å; L543-I611 HydrophobicContact CD2-CG2 3.83Å; V582-I611 HydrophobicContact CG1-CD1 3.93Å; V582-I611 HydrophobicContact CG2-CB 4.39Å; V582-I611 HydrophobicContact CG2-CG2 4.3Å; G608-I611 WeakPolarHBondContact O-CB 3.44Å; G608-I611 PolarHBondContact O-N 3.44Å; E609-I611 VanDerWaalsContact C-N 3.32Å; E609-I611 PolarHBondContact O-N 2.92Å; I611-Y613 VanDerWaalsContact C-N 3.33Å; I611-Y613 PolarHBondContact O-N 3.36Å; I611-A614 PolarHBondContact O-N 3.4Å; I611-I615 HydrophobicContact CG2-CD1 3.9Å; I611-I615 HydrophobicContact CG2-CG1 4.45Å; I611-I615 VanDerWaalsContact O-CG1 3.28Å; I611-I615 WeakPolarHBondContact O-CG1 3.34Å; I611-I615 PolarHBondContact O-N 2.99Å
612C91.6Very high87.3Confident18 Ų1832.3 Ų32.312%0.12216%0.157CC..Hα-helixtrans-60.6-41.7175.5-66.30000112.2F572 A573 A574 G608 E609 I615 N616F572-C612 HydrophobicContact CD2-CB 3.88Å; F572-C612 HydrophobicContact CE2-CB 4.18Å; F572-C612 VanDerWaalsContact CE2-O 3.28Å; F572-C612 WeakPolarHBondContact CE2-O 3.42Å; A573-C612 VanDerWaalsContact C-SG 3.54Å; A574-C612 PolarHBondContact N-SG 2.91Å; A574-C612 VanDerWaalsContact N-SG 3.39Å; G608-C612 PolarHBondContact O-N 2.89Å; E609-C612 PolarHBondContact O-N 3.06Å; C612-I615 PolarHBondContact O-N 2.84Å; C612-N616 WeakPolarHBondContact O-CB 3.41Å; C612-N616 PolarHBondContact O-N 3.42Å
613Y87.7Confident86.8Confident91 Ų9136.1 Ų36.136%0.35719%0.189SC..Hα-helixtrans-60.4-46.5174.6177.3-98.2000111.6E609 K610 I611 I615 N616 L617E609-Y613 WeakPolarHBondContact O-CB 3.39Å; E609-Y613 PolarHBondContact O-N 2.88Å; K610-Y613 PolarHBondContact O-N 3.48Å; I611-Y613 VanDerWaalsContact C-N 3.33Å; I611-Y613 PolarHBondContact O-N 3.36Å; Y613-I615 PolarHBondContact O-N 3.24Å; Y613-N616 PolarHBondContact O-N 3.43Å; Y613-L617 HydrophobicContact CE1-CD2 4.22Å; Y613-L617 WeakPolarHBondContact O-CB 3.4Å; Y613-L617 PolarHBondContact O-N 2.92Å
614A87.6Confident86.3Confident0 Ų035.9 Ų35.90%019%0.19CC..Hα-helixtrans-60.6-43.4177.200000112.1L496 Q498 F500 V545 K610 I611 L617 G618L496-A614 VanDerWaalsContact CD2-O 3.26Å; L496-A614 WeakPolarHBondContact CD2-O 3.2Å; Q498-A614 HydrophobicContact CB-CB 4.44Å; Q498-A614 VanDerWaalsContact OE1-CB 3.27Å; F500-A614 HydrophobicContact CE2-CB 3.91Å; F500-A614 HydrophobicContact CZ-CB 4.04Å; V545-A614 HydrophobicContact CB-CB 4.16Å; V545-A614 HydrophobicContact CG1-CB 3.9Å; V545-A614 HydrophobicContact CG2-CB 4.24Å; K610-A614 WeakPolarHBondContact O-CB 3.23Å; K610-A614 PolarHBondContact O-N 2.97Å; I611-A614 PolarHBondContact O-N 3.4Å; A614-L617 PolarHBondContact O-N 2.79Å; A614-G618 PolarHBondContact O-N 3.38Å
615I89.5Confident85.6Confident0 Ų040.6 Ų40.60%021%0.212CC..Hα-helixtrans-63.2-44.6176.8-67.3170.3000110.6V545 L550 L566 V569 F572 I611 C612 Y613 G618 K619V545-I615 HydrophobicContact CG1-CG1 4.31Å; L550-I615 HydrophobicContact CD1-CD1 4.12Å; L550-I615 HydrophobicContact CD1-CG1 4.36Å; L550-I615 HydrophobicContact CD2-CG1 3.95Å; L566-I615 HydrophobicContact CD1-CG2 3.95Å; V569-I615 HydrophobicContact CG1-CG2 4.43Å; F572-I615 HydrophobicContact CB-CD1 4.36Å; F572-I615 HydrophobicContact CB-CG2 4.49Å; F572-I615 HydrophobicContact CD1-CG2 3.49Å; F572-I615 VanDerWaalsContact CD1-CG2 3.49Å; F572-I615 HydrophobicContact CD2-CB 4.27Å; F572-I615 HydrophobicContact CD2-CG2 4.08Å; F572-I615 HydrophobicContact CE1-CG2 3.59Å; F572-I615 HydrophobicContact CE2-CB 4.31Å; F572-I615 HydrophobicContact CE2-CG2 4.16Å; F572-I615 HydrophobicContact CG-CB 4.38Å; F572-I615 HydrophobicContact CG-CG2 3.76Å; F572-I615 HydrophobicContact CZ-CB 4.46Å; F572-I615 HydrophobicContact CZ-CG2 3.92Å; I611-I615 HydrophobicContact CG2-CD1 3.9Å; I611-I615 HydrophobicContact CG2-CG1 4.45Å; I611-I615 VanDerWaalsContact O-CG1 3.28Å; I611-I615 WeakPolarHBondContact O-CG1 3.34Å; I611-I615 PolarHBondContact O-N 2.99Å; C612-I615 PolarHBondContact O-N 2.84Å; Y613-I615 PolarHBondContact O-N 3.24Å; I615-G618 PolarHBondContact O-N 3.17Å; I615-K619 PolarHBondContact O-N 3.27Å
616N90.3Very high85.3Confident63 Ų6346.6 Ų46.634%0.33723%0.234SC..Hα-helixtrans-62.7-46.7178.3-171.365.7000111.7F572 C612 Y613 G618 K619 E620F572-N616 HydrophobicContact CE2-CB 4.08Å; F572-N616 HydrophobicContact CZ-CB 3.84Å; C612-N616 WeakPolarHBondContact O-CB 3.41Å; C612-N616 PolarHBondContact O-N 3.42Å; Y613-N616 PolarHBondContact O-N 3.43Å; N616-G618 VanDerWaalsContact C-N 3.3Å; N616-G618 PolarHBondContact O-N 3.47Å; N616-K619 WeakPolarHBondContact O-CB 3.37Å; N616-K619 PolarHBondContact O-N 3.5Å; N616-K619 VanDerWaalsContact O-N 3.1Å; N616-E620 PolarHBondContact ND2-OE1 3.47Å; N616-E620 PolarHBondContact O-N 2.84Å
617L85.9Confident85.4Confident4 Ų449.1 Ų49.12%0.02125%0.246CC..Hα-helixtrans-59.8-41.4176.7179.159000111.5L496 Y613 A614 K619 E620 I621 I638L496-L617 HydrophobicContact CD1-CD2 3.76Å; L496-L617 HydrophobicContact CD1-CG 4.35Å; L496-L617 HydrophobicContact CD2-CB 4.37Å; L496-L617 HydrophobicContact CD2-CG 4.31Å; Y613-L617 HydrophobicContact CE1-CD2 4.22Å; Y613-L617 WeakPolarHBondContact O-CB 3.4Å; Y613-L617 PolarHBondContact O-N 2.92Å; A614-L617 PolarHBondContact O-N 2.79Å; L617-K619 VanDerWaalsContact C-N 3.33Å; L617-K619 PolarHBondContact O-N 2.95Å; L617-E620 PolarHBondContact O-N 3.45Å; L617-I621 HydrophobicContact CD1-CD1 4.33Å; L617-I621 HydrophobicContact CD1-CG1 4.46Å; L617-I621 HydrophobicContact CG-CD1 4.13Å; L617-I621 VanDerWaalsContact O-CG1 3.25Å; L617-I621 WeakPolarHBondContact O-CG1 3.39Å; L617-I621 PolarHBondContact O-N 2.92Å; L617-I638 HydrophobicContact CD1-CD1 3.61Å; L617-I638 HydrophobicContact CD1-CG1 4.21Å; L617-I638 HydrophobicContact CD2-CD1 4.16Å; L617-I638 HydrophobicContact CG-CD1 4.49Å
618G85.9Confident85Confident0 Ų052.4 Ų52.40%027%0.27CS..Hα-helixtrans-60.5-41.3174.300000112.5A614 I615 N616 I621 I622A614-G618 PolarHBondContact O-N 3.38Å; I615-G618 PolarHBondContact O-N 3.17Å; N616-G618 VanDerWaalsContact C-N 3.3Å; N616-G618 PolarHBondContact O-N 3.47Å; G618-I621 PolarHBondContact O-N 3.33Å; G618-I622 WeakPolarHBondContact O-CG1 3.46Å; G618-I622 PolarHBondContact O-N 3.49Å
619K87.5Confident84.6Confident58 Ų5859.6 Ų59.625%0.25230%0.304SS..Hα-helixtrans-67.5-39.7176-75.1-171172.3-167.20112.9L566 V569 F572 I615 N616 L617 I621 I622 A623L566-K619 HydrophobicContact CD1-CG 4.46Å; L566-K619 HydrophobicContact CD2-CG 4.21Å; L566-K619 HydrophobicContact CG-CG 4Å; V569-K619 WeakPolarHBondContact O-CE 3.42Å; V569-K619 PolarHBondContact O-NZ 3.07Å; F572-K619 HydrophobicContact CE1-CD 4.04Å; I615-K619 PolarHBondContact O-N 3.27Å; N616-K619 WeakPolarHBondContact O-CB 3.37Å; N616-K619 PolarHBondContact O-N 3.5Å; N616-K619 VanDerWaalsContact O-N 3.1Å; L617-K619 VanDerWaalsContact C-N 3.33Å; L617-K619 PolarHBondContact O-N 2.95Å; K619-I621 VanDerWaalsContact C-N 3.34Å; K619-I622 PolarHBondContact O-N 3.23Å; K619-A623 PolarHBondContact O-N 3.05Å
620E85.8Confident84Confident78 Ų7855.8 Ų55.836%0.36429%0.291SS..Hα-helixtrans-61.9-43.5174.5-73.8176.1-173.100110.9N616 L617 I622 A623 V624 L634N616-E620 PolarHBondContact ND2-OE1 3.47Å; N616-E620 PolarHBondContact O-N 2.84Å; L617-E620 PolarHBondContact O-N 3.45Å; E620-I622 PolarHBondContact O-N 2.89Å; E620-A623 WeakPolarHBondContact O-CB 3.26Å; E620-A623 PolarHBondContact O-N 2.84Å; E620-A623 VanDerWaalsContact O-N 3.12Å; E620-V624 WeakPolarHBondContact O-CG2 3.19Å; E620-V624 PolarHBondContact O-N 2.84Å; E620-L634 HydrophobicContact CB-CD2 3.93Å
621I84Confident83.6Confident1 Ų156.2 Ų56.21%0.00529%0.294CS..Hα-helixtrans-57.8-46.8174.3-69.6165.3000110.7L495 L496 L617 G618 K619 A623 V624 Q625 L631 L634 M635L495-I621 HydrophobicContact CB-CD1 4.24Å; L495-I621 HydrophobicContact CB-CG2 4.27Å; L495-I621 HydrophobicContact CD1-CG2 3.89Å; L496-I621 HydrophobicContact CB-CD1 3.8Å; L496-I621 HydrophobicContact CD2-CD1 4.45Å; L617-I621 HydrophobicContact CD1-CD1 4.33Å; L617-I621 HydrophobicContact CD1-CG1 4.46Å; L617-I621 HydrophobicContact CG-CD1 4.13Å; L617-I621 VanDerWaalsContact O-CG1 3.25Å; L617-I621 WeakPolarHBondContact O-CG1 3.39Å; L617-I621 PolarHBondContact O-N 2.92Å; G618-I621 PolarHBondContact O-N 3.33Å; K619-I621 VanDerWaalsContact C-N 3.34Å; I621-A623 VanDerWaalsContact C-N 3.3Å; I621-A623 PolarHBondContact O-N 3.34Å; I621-V624 PolarHBondContact O-N 3.41Å; I621-Q625 WeakPolarHBondContact O-CA 3.47Å; I621-Q625 VanDerWaalsContact O-CB 3.3Å; I621-Q625 WeakPolarHBondContact O-CB 3.41Å; I621-Q625 PolarHBondContact O-N 2.99Å; I621-L631 HydrophobicContact CG2-CD1 4.49Å; I621-L634 HydrophobicContact CG1-CD2 4.1Å; I621-M635 HydrophobicContact CD1-CE 4.01Å; I621-M635 HydrophobicContact CG1-CE 3.95Å
622I84Confident82.8Confident52 Ų5258.7 Ų58.727%0.26731%0.314SS..Hα-helixtrans-58.8-42.2175.8-68171.6000111.3S547 L566 T567 G618 K619 E620S547-I622 VanDerWaalsContact O-CD1 3.25Å; S547-I622 WeakPolarHBondContact O-CD1 3.28Å; S547-I622 WeakPolarHBondContact O-CG1 3.29Å; L566-I622 HydrophobicContact CB-CD1 3.95Å; L566-I622 HydrophobicContact CD2-CD1 3.79Å; L566-I622 HydrophobicContact CG-CD1 4.12Å; T567-I622 HydrophobicContact CG2-CD1 4.48Å; G618-I622 WeakPolarHBondContact O-CG1 3.46Å; G618-I622 PolarHBondContact O-N 3.49Å; K619-I622 PolarHBondContact O-N 3.23Å; E620-I622 PolarHBondContact O-N 2.89Å
623A83.2Confident82.1Confident81 Ų8164.8 Ų64.867%0.66934%0.341SS*.Hα-helixtrans-66.2-39.2-177.100000112.5K619 E620 I621K619-A623 PolarHBondContact O-N 3.05Å; E620-A623 WeakPolarHBondContact O-CB 3.26Å; E620-A623 PolarHBondContact O-N 2.84Å; E620-A623 VanDerWaalsContact O-N 3.12Å; I621-A623 VanDerWaalsContact C-N 3.3Å; I621-A623 PolarHBondContact O-N 3.34Å
624V83.7Confident81.7Confident36 Ų3661.7 Ų61.722%0.21833%0.33CS..Hα-helixtrans-95.7-4-178.6-540000113.7E620 I621 K626 D627 A630 L631 L634E620-V624 WeakPolarHBondContact O-CG2 3.19Å; E620-V624 PolarHBondContact O-N 2.84Å; I621-V624 PolarHBondContact O-N 3.41Å; V624-K626 PolarHBondContact O-N 3.07Å; V624-D627 CarbonylContact O-C 3.6Å; V624-D627 PolarHBondContact O-N 2.95Å; V624-A630 HydrophobicContact CB-CB 4.07Å; V624-A630 HydrophobicContact CG1-CB 4.19Å; V624-L631 HydrophobicContact CG2-CB 4.11Å; V624-L631 HydrophobicContact CG2-CD1 3.83Å; V624-L634 HydrophobicContact CG2-CD2 3.78Å
625Q76.9Confident81Confident98 Ų9863.7 Ų63.746%0.45834%0.34SS..THydrogen-bonded Turntrans-55.4-26.9-177-164.9175.410.700113.7I621I621-Q625 WeakPolarHBondContact O-CA 3.47Å; I621-Q625 VanDerWaalsContact O-CB 3.3Å; I621-Q625 WeakPolarHBondContact O-CB 3.41Å; I621-Q625 PolarHBondContact O-N 2.99Å
626K77.2Confident80Confident206 Ų20670.9 Ų70.990%0.89638%0.378SS*.THydrogen-bonded Turntrans-83.5-9.1179.1-63.1-177-178.6176.60113.8V624V624-K626 PolarHBondContact O-N 3.07Å
627D82.8Confident78.9Confident79 Ų7972 Ų7242%0.42239%0.391SS..  trans-121.5104.9179.5-178-8.9000110.5V624 E629 A630 L631V624-D627 CarbonylContact O-C 3.6Å; V624-D627 PolarHBondContact O-N 2.95Å; D627-E629 VanDerWaalsContact C-N 3.3Å; D627-E629 PolarHBondContact O-N 3.09Å; D627-E629 PolarHBondContact OD1-N 2.67Å; D627-A630 HydrophobicContact CB-CB 3.94Å; D627-A630 PolarHBondContact O-N 3.12Å; D627-A630 PolarHBondContact OD1-N 3.33Å; D627-L631 WeakPolarHBondContact O-CB 3.05Å; D627-L631 PolarHBondContact O-N 3.18Å
628P75.3Confident77.9Confident104 Ų10472.4 Ų72.468%0.67539%0.393SS*.Hα-helixtrans-66.8-26.4-175.325.5-32000113.9A632P628-A632 WeakPolarHBondContact O-CB 3.35Å; P628-A632 PolarHBondContact O-N 3.07Å
629E74.8Confident76.4Confident152 Ų15276.1 Ų76.171%0.7142%0.417SS*.Hα-helixtrans-76.9-42.7177.9-71.2-175.3-17800111.1D627 A632 Q633D627-E629 VanDerWaalsContact C-N 3.3Å; D627-E629 PolarHBondContact O-N 3.09Å; D627-E629 PolarHBondContact OD1-N 2.67Å; E629-A632 PolarHBondContact O-N 2.89Å; E629-Q633 PolarHBondContact O-N 2.87Å; E629-Q633 VanDerWaalsContact O-N 3.09Å
630A76.6Confident74.7Confident28 Ų2879.3 Ų79.323%0.23144%0.436CS..Hα-helixtrans-65.4-39175.400000112V624 D627 Q633 L634V624-A630 HydrophobicContact CB-CB 4.07Å; V624-A630 HydrophobicContact CG1-CB 4.19Å; D627-A630 HydrophobicContact CB-CB 3.94Å; D627-A630 PolarHBondContact O-N 3.12Å; D627-A630 PolarHBondContact OD1-N 3.33Å; A630-Q633 PolarHBondContact O-N 3.49Å; A630-L634 PolarHBondContact O-N 3.18Å
631L78.3Confident72.9Confident32 Ų3277.5 Ų77.517%0.16843%0.43CS..Hα-helixtrans-63.2-42.5175-178.462.4000112L495 I621 V624 D627 L634 M635L495-L631 HydrophobicContact CD1-CD1 4.01Å; L495-L631 HydrophobicContact CD1-CD2 3.93Å; I621-L631 HydrophobicContact CG2-CD1 4.49Å; V624-L631 HydrophobicContact CG2-CB 4.11Å; V624-L631 HydrophobicContact CG2-CD1 3.83Å; D627-L631 WeakPolarHBondContact O-CB 3.05Å; D627-L631 PolarHBondContact O-N 3.18Å; L631-L634 PolarHBondContact O-N 3.12Å; L631-M635 HydrophobicContact CD1-CG 4.45Å; L631-M635 VanDerWaalsContact O-CG 3.3Å; L631-M635 WeakPolarHBondContact O-CG 3.44Å; L631-M635 PolarHBondContact O-N 2.92Å
632A70.5Confident70.8Confident52 Ų5286.2 Ų86.243%0.4348%0.477SS..Hα-helixtrans-64.2-39.8177.100000112.4P628 E629 M635 L636P628-A632 WeakPolarHBondContact O-CB 3.35Å; P628-A632 PolarHBondContact O-N 3.07Å; E629-A632 PolarHBondContact O-N 2.89Å; A632-M635 PolarHBondContact O-N 3.38Å; A632-L636 WeakPolarHBondContact O-CG 3.16Å; A632-L636 PolarHBondContact O-N 3.48Å; A632-L636 VanDerWaalsContact O-N 3.09Å
633Q76.9Confident68.7Low145 Ų14589.5 Ų89.568%0.67850%0.495SS*.Hα-helixtrans-65.8-40.7175.2-74.6-173.14.300112.8E629 A630 M635 L636 S637E629-Q633 PolarHBondContact O-N 2.87Å; E629-Q633 VanDerWaalsContact O-N 3.09Å; A630-Q633 PolarHBondContact O-N 3.49Å; Q633-M635 VanDerWaalsContact C-N 3.34Å; Q633-L636 PolarHBondContact O-N 3.46Å; Q633-S637 PolarHBondContact O-N 2.88Å
634L78.6Confident66.7Low26 Ų2688.1 Ų88.114%0.13649%0.489CS..Hα-helixtrans-63.2-41.6174.8-177.564.2000111.1E620 I621 V624 A630 L631 L636 S637 I638E620-L634 HydrophobicContact CB-CD2 3.93Å; I621-L634 HydrophobicContact CG1-CD2 4.1Å; V624-L634 HydrophobicContact CG2-CD2 3.78Å; A630-L634 PolarHBondContact O-N 3.18Å; L631-L634 PolarHBondContact O-N 3.12Å; L634-L636 VanDerWaalsContact C-N 3.28Å; L634-L636 PolarHBondContact O-N 2.81Å; L634-S637 PolarHBondContact O-N 3.43Å; L634-S637 PolarHBondContact O-OG 3.45Å; L634-I638 WeakPolarHBondContact O-CD1 3.16Å; L634-I638 VanDerWaalsContact O-CG1 3.3Å; L634-I638 WeakPolarHBondContact O-CG1 3.28Å
635M72.6Confident64.7Low43 Ų4393.6 Ų93.621%0.21251%0.51CS..Hα-helixtrans-66.4-28.9177.1-69.1-63.2100.600113.2L495 I621 L631 A632 Q633 I638 Y646L495-M635 HydrophobicContact CD2-SD 4.48Å; I621-M635 HydrophobicContact CD1-CE 4.01Å; I621-M635 HydrophobicContact CG1-CE 3.95Å; L631-M635 HydrophobicContact CD1-CG 4.45Å; L631-M635 VanDerWaalsContact O-CG 3.3Å; L631-M635 WeakPolarHBondContact O-CG 3.44Å; L631-M635 PolarHBondContact O-N 2.92Å; A632-M635 PolarHBondContact O-N 3.38Å; Q633-M635 VanDerWaalsContact C-N 3.34Å; M635-I638 HydrophobicContact CE-CD1 3.39Å; M635-I638 HydrophobicContact SD-CD1 4.3Å; M635-Y646 PolarHBondContact SD-OH 3.38Å; M635-Y646 VanDerWaalsContact SD-OH 3.36Å
636L69.1Low63.4Low150 Ų15091.9 Ų91.979%0.78550%0.499SS*.Hα-helixtrans-76.5-23.7176.7-75.9168.2000114A632 Q633 L634A632-L636 WeakPolarHBondContact O-CG 3.16Å; A632-L636 PolarHBondContact O-N 3.48Å; A632-L636 VanDerWaalsContact O-N 3.09Å; Q633-L636 PolarHBondContact O-N 3.46Å; L634-L636 VanDerWaalsContact C-N 3.28Å; L634-L636 PolarHBondContact O-N 2.81Å
637S67.4Low61.7Low88 Ų8884.7 Ų84.762%0.61547%0.473SS*.Hα-helixtrans-87.1-8.1-177.665.50000113.8Q633 L634Q633-S637 PolarHBondContact O-N 2.88Å; L634-S637 PolarHBondContact O-N 3.43Å; L634-S637 PolarHBondContact O-OG 3.45Å
638I66Low59.6Low12 Ų1286.2 Ų86.26%0.06248%0.48CS..SBendtrans-90.5129.3-177.7-56.6158000110.2L617 L634 M635 L640 Y646L617-I638 HydrophobicContact CD1-CD1 3.61Å; L617-I638 HydrophobicContact CD1-CG1 4.21Å; L617-I638 HydrophobicContact CD2-CD1 4.16Å; L617-I638 HydrophobicContact CG-CD1 4.49Å; L634-I638 WeakPolarHBondContact O-CD1 3.16Å; L634-I638 VanDerWaalsContact O-CG1 3.3Å; L634-I638 WeakPolarHBondContact O-CG1 3.28Å; M635-I638 HydrophobicContact CE-CD1 3.39Å; M635-I638 HydrophobicContact SD-CD1 4.3Å; I638-L640 PolarHBondContact O-N 3.33Å; I638-Y646 HydrophobicContact CB-CD1 4.45Å; I638-Y646 HydrophobicContact CB-CE1 4.44Å; I638-Y646 HydrophobicContact CD1-CE1 4.13Å; I638-Y646 HydrophobicContact CG2-CD1 3.56Å; I638-Y646 HydrophobicContact CG2-CE1 4.01Å
639P54.1Low57.7Low78 Ų7886.2 Ų86.251%0.50647%0.474SS..PPolyproline II helixtrans-66.7128.6176.724.6-31.2000111.9V647P639-V647 HydrophobicContact CB-CG2 4.28Å; P639-V647 WeakPolarHBondContact O-CG2 3.39Å
640L51.2Low55.8Low124 Ų12484.3 Ų84.365%0.64947%0.469SS*.PPolyproline II helixtrans-92.3143.4-179.7-70.5153.2000111.2I638I638-L640 PolarHBondContact O-N 3.33Å
641T48Very low53.7Low40 Ų4091 Ų9125%0.24550%0.501CS..PPolyproline II helixtrans-82.9167.4167.3580000111.4D643 G644 K645 V647T641-D643 WeakPolarHBondContact CB-OD1 3.31Å; T641-D643 PolarHBondContact O-N 3.5Å; T641-D643 PolarHBondContact OG1-OD1 3.29Å; T641-G644 PolarHBondContact O-N 3.08Å; T641-K645 WeakPolarHBondContact CB-O 3.48Å; T641-K645 WeakPolarHBondContact CG2-O 3.33Å; T641-K645 PolarHBondContact OG1-N 3.5Å; T641-K645 PolarHBondContact OG1-O 3.02Å; T641-V647 HydrophobicContact CG2-CB 4.1Å; T641-V647 HydrophobicContact CG2-CG2 3.47Å; T641-V647 VanDerWaalsContact CG2-CG2 3.47Å
642N39Very low51.3Low185 Ų18598.2 Ų98.299%0.98953%0.533SS*.THydrogen-bonded Turntrans-64.2-15.4179.4-70.5-26000114.8
643D40.6Very low49.6Very low120 Ų120100.9 Ų100.964%0.64255%0.547SS*.THydrogen-bonded Turntrans-103.18174.360.3-29.5000113.3T641T641-D643 WeakPolarHBondContact CB-OD1 3.31Å; T641-D643 PolarHBondContact O-N 3.5Å; T641-D643 PolarHBondContact OG1-OD1 3.29Å
644G40.3Very low47.4Very low52 Ų52102 Ų10254%0.53656%0.557SS.*SBendtrans76.120.7176.100000114.8T641T641-G644 PolarHBondContact O-N 3.08Å
645K41.8Very low45.1Very low151 Ų151108.3 Ų108.366%0.65759%0.591SS**SBendtrans-130.1102-178-68.6-173.6178.6-176.70111.9T641T641-K645 WeakPolarHBondContact CB-O 3.48Å; T641-K645 WeakPolarHBondContact CG2-O 3.33Å; T641-K645 PolarHBondContact OG1-N 3.5Å; T641-K645 PolarHBondContact OG1-O 3.02Å
646Y49.6Very low43.3Very low62 Ų62113.4 Ų113.424%0.24362%0.619CS.*  trans3.3123.7172.3-52.2-71.2000119.2L495 M635 I638L495-Y646 WeakPolarHBondContact O-CE2 3.12Å; L495-Y646 VanDerWaalsContact O-CZ 3.3Å; L495-Y646 PolarHBondContact O-OH 3.41Å; M635-Y646 PolarHBondContact SD-OH 3.38Å; M635-Y646 VanDerWaalsContact SD-OH 3.36Å; I638-Y646 HydrophobicContact CB-CD1 4.45Å; I638-Y646 HydrophobicContact CB-CE1 4.44Å; I638-Y646 HydrophobicContact CD1-CE1 4.13Å; I638-Y646 HydrophobicContact CG2-CD1 3.56Å; I638-Y646 HydrophobicContact CG2-CE1 4.01Å
647V41.8Very low41.6Very low56 Ų56114.2 Ų114.234%0.33962%0.624SS.*PPolyproline II helixtrans-69.1138.1-172.1172.60000115.1P639 T641P639-V647 HydrophobicContact CB-CG2 4.28Å; P639-V647 WeakPolarHBondContact O-CG2 3.39Å; T641-V647 HydrophobicContact CG2-CB 4.1Å; T641-V647 HydrophobicContact CG2-CG2 3.47Å; T641-V647 VanDerWaalsContact CG2-CG2 3.47Å
648L38.8Very low39.7Very low110 Ų110113.2 Ų113.258%0.57663%0.628SS**PPolyproline II helixtrans-74.5129155.7-91.797000110.1K610 N650K610-L648 HydrophobicContact CD-CD2 3.88Å; K610-L648 HydrophobicContact CD-CG 4.22Å; L648-N650 PolarHBondContact O-N 3.37Å
649L35.8Very low37.9Very low104 Ų104120.4 Ų120.455%0.54567%0.667SS.*SBendtrans-59.8135.3165.9-74158.3000109.7K610K610-L649 WeakPolarHBondContact CE-O 3.26Å; K610-L649 PolarHBondContact NZ-O 3.33Å
650N34.6Very low37.2Very low112 Ų112121.5 Ų121.560%0.59967%0.674SS**  trans78.179.9-178.9-59.9-20.6000117.1E607 L648E607-N650 PolarHBondContact OE2-ND2 3.39Å; L648-N650 PolarHBondContact O-N 3.37Å
651D32.8Very low36.2Very low169 Ų169120.8 Ų120.890%0.90468%0.679SS**  trans-13189.7139.1-94-22.5000107.4
652Q28.6Very low35.3Very low183 Ų183128.2 Ų128.286%0.85571%0.711SS**  trans-111.9127.8154.2-91.3-168.8-26.400106.7
653P33.7Very low34.9Very low109 Ų109128 Ų12871%0.70870%0.704SS**  trans-73.8135.4173.430.4-29.7000109.2D655P653-D655 PolarHBondContact O-N 3.32Å
654D30.9Very low34.3Very low168 Ų168133.8 Ų133.890%0.89872%0.717SS**  trans-62.493.7169.7-77-45.3000110N656D654-N656 PolarHBondContact O-N 2.93Å; D654-N656 VanDerWaalsContact O-N 3.15Å
655D30.4Very low33.7Very low159 Ų159135.2 Ų135.285%0.8573%0.731SS**  trans-81.984.8166.6-87.9-22.4000109.3P653P653-D655 PolarHBondContact O-N 3.32Å
656N35.3Very low33.2Very low149 Ų149132.5 Ų132.580%0.79774%0.737SS**  trans-130.180.2158.5-168.143.2000109.1D654D654-N656 PolarHBondContact O-N 2.93Å; D654-N656 VanDerWaalsContact O-N 3.15Å
657D32.3Very low32.2Very low167 Ų167138.9 Ų138.989%0.89377%0.769SS**  trans-145.6114.9152.5-101.9-26.5000109.8
658G29.2Very low31.6Very low68 Ų68140.8 Ų140.870%0.70179%0.785SS**  trans-80137.2173.300000111.3
659N27.6Very low31.2Very low163 Ų163144.5 Ų144.587%0.87280%0.799SS**  trans-158152.5133.6-120.7-4000111.7
660P39.8Very low31Very low100 Ų100148.1 Ų148.165%0.64984%0.844SS**  trans-93.9161-169.537.4-32.6000112.8
661S30.3Very low30.8Very low109 Ų109149.9 Ų149.976%0.76286%0.856SS**  trans61.9121.1160.664.20000118.1
662E28.7Very low30.7Very low197 Ų197148.9 Ų148.992%0.92185%0.854SS**  -161.2135.4118.3-110173.4-170.100113
663H29.7Very low30.9Very low179 Ų179147 Ų14783%0.82985%0.854SS**  trans-80.4142.1175.9-113.5-42.8000109.9
664R29.5Very low30.7Very low243 Ų243149.2 Ų149.292%0.91786%0.862SS**  trans26.6122144.2-87.1-176.4177.1-173.9-0.2118.5
665G27.7Very low30.7Very low81 Ų81148.1 Ų148.184%0.83586%0.86SS**  trans-169119.715000000110.9
666A30.8Very low30.7Very low95 Ų95147.3 Ų147.379%0.78586%0.861SS**  trans-90.3174.7173.500000110.9
667E29Very low30.4Very low195 Ų195147.2 Ų147.291%0.91187%0.865SS**  trans82154.1174.5-54.2-179.6172.700115.4
668S28Very low30.2Very low96 Ų96145.7 Ų145.767%0.67186%0.863SS**  cis178.3146.1-29.9-1750000103.6
669E30.5Very low30.3Very low188 Ų188152.2 Ų152.288%0.87988%0.877SS**  trans51.2109.1162.2-70.1179.517600120.2
670A32.3Very low30.6Very low180 Ų180151.2 Ų151.2100%1.48888%0.877SS**  -177.30114.600000110.6

Retrieved 670 of 670 residues in 588.4 ms (Link to these results)

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