A0A096NIN2_PAPAN Loading...

Homocysteine inducible ER protein with ubiquitin like domain 1

AlphaFold DB , UniProt , Accession A0A096NIN2, Species PAPAN (Papio anubis, Olive baboon), Gene HERPUD1, Length 391 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
1M37.8Very low63.2Low245 Ų245114.6 Ų114.6100%1.20761%0.608SS**  095.30-93.6175.715900106.1
2E41.3Very low65.5Low190 Ų190105.1 Ų105.189%0.88856%0.558SS**  trans-130.2121.4170.6-95.1145.5103.600105.8E4E2-E4 PolarHBondContact O-N 3.08Å
3S44.2Very low67.5Low104 Ų10497.7 Ų97.773%0.72752%0.518SS*.  trans-86.4100.6178.252.20000108.5T5S3-T5 PolarHBondContact O-N 3.33Å; S3-T5 PolarHBondContact O-OG1 3.14Å
4E47.4Very low69.1Low192 Ų19290.7 Ų90.790%0.89748%0.481SS*.  trans-50112.1167.9-77179.6102.400108.7E2 E6E2-E4 PolarHBondContact O-N 3.08Å; E4-E6 PolarHBondContact O-N 3.35Å
5T59.1Low70.5Confident88 Ų8889.3 Ų89.354%0.5447%0.47SS..  trans-91.794.9-180-57.40000106.5S3S3-T5 PolarHBondContact O-N 3.33Å; S3-T5 PolarHBondContact O-OG1 3.14Å
6E62.6Low71.4Confident155 Ų15584.3 Ų84.372%0.72444%0.444SS*.  trans-39.9129.7174.1-76.4-67.4160.200110.8E4 E8E4-E6 PolarHBondContact O-N 3.35Å; E6-E8 PolarHBondContact O-N 2.88Å
7P65.1Low71.6Confident79 Ų7983.5 Ų83.551%0.51345%0.445SS..  trans-66.5105.5174.927.7-31.9000108.3P9P7-P9 WeakPolarHBondContact O-CD 3.37Å
8E78Confident71.3Confident75 Ų7585.8 Ų85.835%0.3546%0.457SS..  trans-8696168.5-165.8-172146.300107.3E6 R30 K75E6-E8 PolarHBondContact O-N 2.88Å; E8-R30 HydrophobicContact CB-CB 4.38Å; E8-R30 HydrophobicContact CB-CG 4.4Å; E8-R30 HydrophobicContact CG-CG 4.48Å; E8-R30 PolarHBondContact O-N 3.02Å; E8-R30 WeakPolarHBondContact OE1-CD 3.39Å; E8-R30 IonicContact OE1-CZ 2.83Å; E8-R30 IonicContact OE1-NE 2.67Å; E8-R30 IonicContact OE1-NH1 3.17Å; E8-R30 PolarHBondContact OE1-NH1 2.89Å; E8-K75 IonicContact OE2-NZ 3.42Å; E8-K75 PolarHBondContact OE2-NZ 3.39Å
9P84.1Confident71.1Confident86 Ų8689.8 Ų89.856%0.55847%0.473SS*.EExtended strand (participates in β ladder)trans-71.3140.2-178.931.2-37.4000109.8P7P7-P9 WeakPolarHBondContact O-CD 3.37Å
10V86.8Confident70.7Confident4 Ų494.3 Ų94.32%0.02448%0.483CS..EExtended strand (participates in β ladder)trans-133.8139.9178.865.50000110.9L12 G28 R30 L73 H80V10-L12 HydrophobicContact CG1-CD2 3.97Å; V10-L12 HydrophobicContact CG1-CG 4.24Å; V10-L12 HydrophobicContact CG2-CD2 4.47Å; V10-G28 VanDerWaalsContact CG1-O 3.27Å; V10-G28 WeakPolarHBondContact CG1-O 3.32Å; V10-G28 PolarHBondContact N-O 3.27Å; V10-G28 PolarHBondContact O-N 2.8Å; V10-G28 VanDerWaalsContact O-N 3.16Å; V10-R30 HydrophobicContact CB-CG 3.92Å; V10-R30 HydrophobicContact CG1-CG 3.68Å; V10-L73 HydrophobicContact CG1-CD1 4.23Å; V10-H80 WeakPolarHBondContact CG2-CD2 3.46Å; V10-H80 WeakPolarHBondContact CG2-NE2 3.4Å
11T89.1Confident70.6Confident43 Ų4392 Ų9226%0.26447%0.47SS..EExtended strand (participates in β ladder)trans-83.6119.9180-56.80000109.7E25 K78 R79 H80T11-E25 HydrophobicContact CG2-CG 3.47Å; T11-E25 VanDerWaalsContact CG2-CG 3.47Å; T11-E25 VanDerWaalsContact CG2-OE1 3.25Å; T11-E25 WeakPolarHBondContact CG2-OE1 3.21Å; T11-K78 WeakPolarHBondContact CB-O 3.29Å; T11-K78 PolarHBondContact N-O 2.97Å; T11-R79 HydrophobicContact CG2-CB 4.48Å; T11-R79 HydrophobicContact CG2-CG 3.91Å; T11-R79 VanDerWaalsContact O-CA 3.32Å; T11-R79 WeakPolarHBondContact O-CA 3.47Å; T11-H80 PolarHBondContact O-N 2.99Å
12L90.9Very high72.4Confident0 Ų091.7 Ų91.70%046%0.456CS..EExtended strand (participates in β ladder)trans-113.4114.3-178-56.4175.5000108.5V10 L26 L37 L69 L73 H80 L82V10-L12 HydrophobicContact CG1-CD2 3.97Å; V10-L12 HydrophobicContact CG1-CG 4.24Å; V10-L12 HydrophobicContact CG2-CD2 4.47Å; L12-L26 HydrophobicContact CB-CD1 3.97Å; L12-L26 HydrophobicContact CB-CG 4.1Å; L12-L26 HydrophobicContact CD1-CD1 3.92Å; L12-L26 HydrophobicContact CG-CD1 4.41Å; L12-L26 PolarHBondContact N-O 3.23Å; L12-L26 PolarHBondContact O-N 3.27Å; L12-L37 HydrophobicContact CD1-CD1 3.89Å; L12-L37 HydrophobicContact CD1-CD2 4.17Å; L12-L69 HydrophobicContact CD1-CD2 3.72Å; L12-L73 HydrophobicContact CD2-CD1 3.69Å; L12-H80 HydrophobicContact CD2-CB 4.32Å; L12-L82 HydrophobicContact CB-CD1 4.3Å; L12-L82 HydrophobicContact CD2-CD1 3.9Å
13L90.5Very high74.4Confident9 Ų985.8 Ų85.85%0.04743%0.431CS..EExtended strand (participates in β ladder)trans-95.2105.5177.3-172.670.3000109.3D23 E25 H80 V81 L82L13-D23 HydrophobicContact CD1-CB 3.84Å; L13-D23 HydrophobicContact CG-CB 4.25Å; L13-E25 HydrophobicContact CD1-CB 4.01Å; L13-H80 PolarHBondContact N-O 2.84Å; L13-V81 HydrophobicContact CD2-CG2 4.23Å; L13-V81 WeakPolarHBondContact O-CA 3.35Å; L13-L82 PolarHBondContact O-N 3.32Å
14V90.8Very high76.3Confident0 Ų082.6 Ų82.60%041%0.405CS..EExtended strand (participates in β ladder)trans-95.3106-176.2179.90000110.6L24 L26 L41 L82 L84V14-L24 HydrophobicContact CB-CB 4.35Å; V14-L24 PolarHBondContact N-O 3.02Å; V14-L24 PolarHBondContact O-N 2.79Å; V14-L26 HydrophobicContact CG2-CD2 3.79Å; V14-L41 HydrophobicContact CB-CD2 4.45Å; V14-L41 HydrophobicContact CG1-CD2 4.18Å; V14-L41 HydrophobicContact CG2-CD1 4.49Å; V14-L41 HydrophobicContact CG2-CD2 4.17Å; V14-L82 CarbonylContact C-O 3.54Å; V14-L82 VanDerWaalsContact CA-O 3.32Å; V14-L82 WeakPolarHBondContact CA-O 3.31Å; V14-L82 HydrophobicContact CG2-CB 4.47Å; V14-L84 HydrophobicContact CG1-CB 3.49Å; V14-L84 VanDerWaalsContact CG1-CB 3.49Å; V14-L84 HydrophobicContact CG1-CD2 4.06Å; V14-L84 HydrophobicContact CG1-CG 4.41Å
15K89.5Confident78.2Confident70 Ų7078.3 Ų78.330%0.30439%0.385SS..EExtended strand (participates in β ladder)trans-90.9144.7178-57.9-158.8176.7-161.20111.5D23 V81 L82 H83 L84K15-D23 WeakPolarHBondContact CE-OD2 3.35Å; K15-D23 IonicContact NZ-OD2 3.86Å; K15-D23 PolarHBondContact NZ-OD2 3.17Å; K15-V81 HydrophobicContact CD-CG1 3.73Å; K15-V81 HydrophobicContact CG-CG1 3.8Å; K15-L82 PolarHBondContact N-O 3.11Å; K15-H83 WeakPolarHBondContact O-CA 3.37Å; K15-L84 PolarHBondContact O-N 3.26Å
16S84.6Confident79.6Confident9 Ų974.8 Ų74.86%0.06336%0.363CS..  trans-93.9136.5173.468.50000110.9N18 Q19 R20 H21 Y45S16-N18 PolarHBondContact O-N 3.11Å; S16-Q19 PolarHBondContact O-N 3.46Å; S16-Q19 VanDerWaalsContact OG-C 3.29Å; S16-Q19 VanDerWaalsContact OG-CA 3.29Å; S16-Q19 WeakPolarHBondContact OG-CA 3.48Å; S16-R20 PolarHBondContact OG-N 3.4Å; S16-R20 VanDerWaalsContact OG-N 3.1Å; S16-H21 PolarHBondContact OG-N 3.39Å; S16-H21 PolarHBondContact OG-O 3.45Å; S16-Y45 WeakPolarHBondContact CB-OH 3.32Å
17P75.1Confident80.6Confident70 Ų7071 Ų7146%0.45535%0.353SS..THydrogen-bonded Turntrans-57.1-26.4-170.6-30.334000116.5L84 V85P17-L84 WeakPolarHBondContact CD-O 3.48Å; P17-V85 HydrophobicContact CG-CB 4.32Å; P17-V85 HydrophobicContact CG-CG1 4.48Å; P17-V85 HydrophobicContact CG-CG2 3.81Å
18N65.7Low81.6Confident125 Ų12567.2 Ų67.267%0.66833%0.329SS*.THydrogen-bonded Turntrans-115.417.4179.9-67.4-58.2000111.9S16 R20S16-N18 PolarHBondContact O-N 3.11Å; N18-R20 HydrophobicContact CB-CG 4.09Å; N18-R20 PolarHBondContact O-N 2.89Å
19Q68.6Low82.1Confident163 Ų16365.7 Ų65.776%0.76232%0.323SS*.SBendtrans5021.6-171-61.8-177.5-2.700114.9S16 H21S16-Q19 PolarHBondContact O-N 3.46Å; S16-Q19 VanDerWaalsContact OG-C 3.29Å; S16-Q19 VanDerWaalsContact OG-CA 3.29Å; S16-Q19 WeakPolarHBondContact OG-CA 3.48Å; Q19-H21 PolarHBondContact O-N 2.89Å; Q19-H21 VanDerWaalsContact O-N 3.11Å
20R63.2Low82.2Confident179 Ų17962.2 Ų62.268%0.67530%0.299SS*.SBendtrans-55.3-31.6-179.3-82.4-177.9178-167.6-0.2113.2S16 N18S16-R20 PolarHBondContact OG-N 3.4Å; S16-R20 VanDerWaalsContact OG-N 3.1Å; N18-R20 HydrophobicContact CB-CG 4.09Å; N18-R20 PolarHBondContact O-N 2.89Å
21H68.6Low82.2Confident45 Ų4564.2 Ų64.221%0.20831%0.313CS..SBendtrans-126.9143.4174.1-57.2-84.7000107.8S16 Q19 Y45 E47S16-H21 PolarHBondContact OG-N 3.39Å; S16-H21 PolarHBondContact OG-O 3.45Å; Q19-H21 PolarHBondContact O-N 2.89Å; Q19-H21 VanDerWaalsContact O-N 3.11Å; H21-Y45 HydrophobicContact CB-CE2 4.41Å; H21-Y45 AromaticContact CD2-CZ 3.84Å; H21-Y45 PolarHBondContact CD2-OH 2.85Å; H21-E47 IonicContact CD2-OE1 3.72Å; H21-E47 IonicContact CE1-OE1 2.7Å; H21-E47 WeakPolarHBondContact NE2-CG 3.48Å; H21-E47 IonicContact NE2-OE1 3.72Å; H21-E47 PolarHBondContact NE2-OE1 3.35Å
22R75.1Confident82.2Confident239 Ų23963.8 Ų63.890%0.90231%0.307SS*.  trans-54.8148.3175.2-68.3-175.9179.7-121.42110.4L24R22-L24 PolarHBondContact O-N 2.98Å; R22-L24 VanDerWaalsContact O-N 3.16Å
23D83.3Confident82.3Confident67 Ų6765.9 Ų65.936%0.35832%0.321SS..  trans-51.3119.4174.5-67.61.9000110.4L13 K15L13-D23 HydrophobicContact CD1-CB 3.84Å; L13-D23 HydrophobicContact CG-CB 4.25Å; K15-D23 WeakPolarHBondContact CE-OD2 3.35Å; K15-D23 IonicContact NZ-OD2 3.86Å; K15-D23 PolarHBondContact NZ-OD2 3.17Å
24L84.1Confident82.4Confident36 Ų3665.4 Ų65.419%0.18832%0.319CS..EExtended strand (participates in β ladder)trans-92.6104.6-178.8173.463.2000109V14 R22 L26 L41 V44 Y45V14-L24 HydrophobicContact CB-CB 4.35Å; V14-L24 PolarHBondContact N-O 3.02Å; V14-L24 PolarHBondContact O-N 2.79Å; R22-L24 PolarHBondContact O-N 2.98Å; R22-L24 VanDerWaalsContact O-N 3.16Å; L24-L26 HydrophobicContact CD2-CD2 4.28Å; L24-L26 HydrophobicContact CG-CD2 4.41Å; L24-L41 HydrophobicContact CD2-CD2 3.93Å; L24-V44 HydrophobicContact CD1-CG1 3.98Å; L24-V44 HydrophobicContact CD2-CB 4.47Å; L24-V44 HydrophobicContact CD2-CG1 3.94Å; L24-Y45 HydrophobicContact CD2-CD2 3.98Å
25E87.4Confident82.3Confident103 Ų10366.5 Ų66.548%0.48133%0.33SS..EExtended strand (participates in β ladder)trans-80.4126.9168.3-170157.9130.900110.1T11 L13 R79T11-E25 HydrophobicContact CG2-CG 3.47Å; T11-E25 VanDerWaalsContact CG2-CG 3.47Å; T11-E25 VanDerWaalsContact CG2-OE1 3.25Å; T11-E25 WeakPolarHBondContact CG2-OE1 3.21Å; L13-E25 HydrophobicContact CD1-CB 4.01Å; E25-R79 IonicContact OE2-CZ 3.24Å; E25-R79 IonicContact OE2-NE 3.44Å; E25-R79 PolarHBondContact OE2-NE 2.77Å; E25-R79 IonicContact OE2-NH2 3.8Å; E25-R79 PolarHBondContact OE2-NH2 3.29Å
26L87.6Confident82.4Confident13 Ų1366.9 Ų66.97%0.06833%0.333CS..EExtended strand (participates in β ladder)trans-136.8146.2176.768.694.2000110.7L12 V14 L24 L37 L41L12-L26 HydrophobicContact CB-CD1 3.97Å; L12-L26 HydrophobicContact CB-CG 4.1Å; L12-L26 HydrophobicContact CD1-CD1 3.92Å; L12-L26 HydrophobicContact CG-CD1 4.41Å; L12-L26 PolarHBondContact N-O 3.23Å; L12-L26 PolarHBondContact O-N 3.27Å; V14-L26 HydrophobicContact CG2-CD2 3.79Å; L24-L26 HydrophobicContact CD2-CD2 4.28Å; L24-L26 HydrophobicContact CG-CD2 4.41Å; L26-L37 HydrophobicContact CD1-CD1 3.93Å; L26-L41 HydrophobicContact CD2-CD2 3.55Å; L26-L41 HydrophobicContact CD2-CG 4.17Å
27S85.2Confident82.7Confident75 Ų7566.5 Ų66.552%0.52433%0.33SS..EExtended strand (participates in β ladder)trans-90.8131.2168.9-169.70000109
28G84.6Confident83.5Confident1 Ų163.9 Ų63.91%0.0131%0.311CS..EExtended strand (participates in β ladder)trans-140.1160.6170.500000110.3V10V10-G28 VanDerWaalsContact CG1-O 3.27Å; V10-G28 WeakPolarHBondContact CG1-O 3.32Å; V10-G28 PolarHBondContact N-O 3.27Å; V10-G28 PolarHBondContact O-N 2.8Å; V10-G28 VanDerWaalsContact O-N 3.16Å
29D88.5Confident84.6Confident43 Ų4359.4 Ų59.423%0.2329%0.292CS..EExtended strand (participates in β ladder)trans-88.4142.5-178.3-46.8-55.3000111S31 W32D29-S31 WeakPolarHBondContact CB-OG 3.21Å; D29-S31 PolarHBondContact O-N 2.94Å; D29-S31 VanDerWaalsContact O-N 3.11Å; D29-W32 HydrophobicContact CB-CG 4.38Å; D29-W32 WeakPolarHBondContact O-CB 3.46Å; D29-W32 PolarHBondContact O-N 3.46Å; D29-W32 PolarHBondContact OD2-NE1 3.08Å
30R86.2Confident85.6Confident13 Ų1353.9 Ų53.95%0.04927%0.266CS..THydrogen-bonded Turntrans-62.9-18.2175-64.3-179.3111.9125.917.6113.4E8 V10 W32 R70 L73 P74 H80E8-R30 HydrophobicContact CB-CB 4.38Å; E8-R30 HydrophobicContact CB-CG 4.4Å; E8-R30 HydrophobicContact CG-CG 4.48Å; E8-R30 PolarHBondContact O-N 3.02Å; E8-R30 WeakPolarHBondContact OE1-CD 3.39Å; E8-R30 IonicContact OE1-CZ 2.83Å; E8-R30 IonicContact OE1-NE 2.67Å; E8-R30 IonicContact OE1-NH1 3.17Å; E8-R30 PolarHBondContact OE1-NH1 2.89Å; V10-R30 HydrophobicContact CB-CG 3.92Å; V10-R30 HydrophobicContact CG1-CG 3.68Å; R30-W32 VanDerWaalsContact C-N 3.28Å; R30-W32 PolarHBondContact O-N 2.88Å; R30-R70 HydrophobicContact CB-CB 4.18Å; R30-R70 WeakPolarHBondContact O-CB 3.49Å; R30-R70 WeakPolarHBondContact O-CG 3.35Å; R30-R70 PolarHBondContact O-N 3.44Å; R30-L73 PolarHBondContact NH2-O 2.83Å; R30-P74 VanDerWaalsContact NH2-C 3.26Å; R30-P74 PolarHBondContact NH2-O 3.28Å; R30-H80 PolarHBondContact NH2-NE2 2.87Å
31S87Confident86.9Confident46 Ų4645.3 Ų45.332%0.32223%0.234SC..THydrogen-bonded Turntrans-71.6-17.3173.958.50000113.7D29D29-S31 WeakPolarHBondContact CB-OG 3.21Å; D29-S31 PolarHBondContact O-N 2.94Å; D29-S31 VanDerWaalsContact O-N 3.11Å
32W90.4Very high87.8Confident34 Ų3444.5 Ų44.513%0.12923%0.233CC..  trans-66.9151.1-178.7-68.38.8000112.4D29 R30 H36 L37 H40 C68 L69D29-W32 HydrophobicContact CB-CG 4.38Å; D29-W32 WeakPolarHBondContact O-CB 3.46Å; D29-W32 PolarHBondContact O-N 3.46Å; D29-W32 PolarHBondContact OD2-NE1 3.08Å; R30-W32 VanDerWaalsContact C-N 3.28Å; R30-W32 PolarHBondContact O-N 2.88Å; W32-H36 HydrophobicContact CB-CB 4.36Å; W32-H36 AromaticContact CD1-ND1 3.64Å; W32-H36 AromaticContact CD2-CE1 3.88Å; W32-H36 AromaticContact CD2-ND1 3.21Å; W32-H36 AromaticContact CE2-CE1 3.71Å; W32-H36 AromaticContact CE2-ND1 3.52Å; W32-H36 AromaticContact CE3-ND1 3.68Å; W32-H36 AromaticContact CG-ND1 3.34Å; W32-H36 VanDerWaalsContact CG-ND1 3.34Å; W32-H36 AromaticContact NE1-CE1 3.93Å; W32-H36 AromaticContact NE1-ND1 3.74Å; W32-L37 HydrophobicContact CE3-CB 4.39Å; W32-L37 HydrophobicContact CE3-CD1 4.43Å; W32-L37 HydrophobicContact CZ3-CD1 4.36Å; W32-H40 HydrophobicContact CH2-CB 4.42Å; W32-H40 AromaticContact CH2-CE1 3.95Å; W32-H40 AromaticContact CH2-CG 3.97Å; W32-H40 AromaticContact CH2-ND1 3.53Å; W32-H40 HydrophobicContact CZ3-CB 3.91Å; W32-H40 AromaticContact CZ3-CG 3.85Å; W32-H40 AromaticContact CZ3-ND1 3.89Å; W32-C68 WeakPolarHBondContact O-CA 3.31Å; W32-L69 HydrophobicContact CB-CD1 4.27Å; W32-L69 HydrophobicContact CB-CD2 4.47Å; W32-L69 WeakPolarHBondContact O-CD1 3.43Å; W32-L69 PolarHBondContact O-N 3.21Å
33S92.4Very high88.3Confident43 Ų4340.8 Ų40.830%0.30122%0.219SC..BIsolated β-bridgetrans-81.8157.3161.567.30000111.2G35 H36 L37 Q67S33-G35 PolarHBondContact O-N 3.49Å; S33-H36 PolarHBondContact O-N 3.49Å; S33-H36 PolarHBondContact OG-N 3.27Å; S33-H36 VanDerWaalsContact OG-N 3.15Å; S33-L37 PolarHBondContact O-N 3.15Å; S33-Q67 WeakPolarHBondContact CA-O 3.41Å
34V91.9Very high88.4Confident0 Ų040.9 Ų40.90%022%0.221CC..Hα-helixtrans-56.6-35.9171.6170.50000111L37 K38 L56 L63 L64 Q67 L69 L72V34-L37 PolarHBondContact O-N 3.07Å; V34-K38 WeakPolarHBondContact O-CG 3.19Å; V34-K38 PolarHBondContact O-N 3.26Å; V34-L56 HydrophobicContact CG1-CD1 4.29Å; V34-L63 HydrophobicContact CG1-CB 3.82Å; V34-L63 HydrophobicContact CG2-CB 3.91Å; V34-L63 HydrophobicContact CG2-CD1 4.25Å; V34-L64 WeakPolarHBondContact CB-O 3.16Å; V34-Q67 HydrophobicContact CG2-CB 4.29Å; V34-Q67 WeakPolarHBondContact CG2-O 3.35Å; V34-Q67 PolarHBondContact N-O 2.88Å; V34-L69 HydrophobicContact CG2-CD1 4.33Å; V34-L72 HydrophobicContact CG2-CD1 3.69Å
35G90.1Very high88.3Confident22 Ų2239.5 Ų39.523%0.22721%0.214CC..Hα-helixtrans-61.7-40.9173.100000113.3S33 K38 A39 D65S33-G35 PolarHBondContact O-N 3.49Å; G35-K38 PolarHBondContact O-N 3.32Å; G35-A39 PolarHBondContact O-N 2.95Å; G35-D65 PolarHBondContact N-O 3.09Å
36H90.7Very high87.9Confident79 Ų7939 Ų3937%0.36622%0.219SC..Hα-helixtrans-67.8-41175.4-169.4-116.9000111.8W32 S33 K38 A39 H40W32-H36 HydrophobicContact CB-CB 4.36Å; W32-H36 AromaticContact CD1-ND1 3.64Å; W32-H36 AromaticContact CD2-CE1 3.88Å; W32-H36 AromaticContact CD2-ND1 3.21Å; W32-H36 AromaticContact CE2-CE1 3.71Å; W32-H36 AromaticContact CE2-ND1 3.52Å; W32-H36 AromaticContact CE3-ND1 3.68Å; W32-H36 AromaticContact CG-ND1 3.34Å; W32-H36 VanDerWaalsContact CG-ND1 3.34Å; W32-H36 AromaticContact NE1-CE1 3.93Å; W32-H36 AromaticContact NE1-ND1 3.74Å; S33-H36 PolarHBondContact O-N 3.49Å; S33-H36 PolarHBondContact OG-N 3.27Å; S33-H36 VanDerWaalsContact OG-N 3.15Å; H36-K38 PolarHBondContact O-N 3.31Å; H36-A39 CarbonylContact O-C 3.53Å; H36-A39 PolarHBondContact O-N 3.48Å; H36-A39 VanDerWaalsContact O-N 3.17Å; H36-H40 PolarHBondContact O-N 2.97Å
37L90.9Very high87.2Confident1 Ų142 Ų421%0.00523%0.233CC..Hα-helixtrans-59-42.9173.1176.660.5000112.1L12 L26 W32 S33 V34 A39 H40 L41 L56 L69 L82L12-L37 HydrophobicContact CD1-CD1 3.89Å; L12-L37 HydrophobicContact CD1-CD2 4.17Å; L26-L37 HydrophobicContact CD1-CD1 3.93Å; W32-L37 HydrophobicContact CE3-CB 4.39Å; W32-L37 HydrophobicContact CE3-CD1 4.43Å; W32-L37 HydrophobicContact CZ3-CD1 4.36Å; S33-L37 PolarHBondContact O-N 3.15Å; V34-L37 PolarHBondContact O-N 3.07Å; L37-A39 PolarHBondContact O-N 3.45Å; L37-H40 WeakPolarHBondContact O-CB 3.28Å; L37-H40 PolarHBondContact O-N 3.36Å; L37-H40 VanDerWaalsContact O-N 3.15Å; L37-L41 HydrophobicContact CD1-CD1 4.31Å; L37-L41 HydrophobicContact CD1-CG 4.5Å; L37-L41 HydrophobicContact CG-CD1 4.19Å; L37-L41 PolarHBondContact O-N 2.89Å; L37-L56 HydrophobicContact CD2-CD1 3.77Å; L37-L56 HydrophobicContact CG-CD1 3.99Å; L37-L69 HydrophobicContact CB-CD1 4.29Å; L37-L69 HydrophobicContact CD2-CD1 4.22Å; L37-L69 HydrophobicContact CD2-CD2 4.33Å; L37-L82 HydrophobicContact CD2-CD2 4.06Å
38K91.6Very high87.1Confident14 Ų1447.4 Ų47.46%0.06124%0.242CC..Hα-helixtrans-63-40173.8-71.4178.2176.2-172.60112.7V34 G35 H36 H40 L41 S42 P51 Q54 L56 D65V34-K38 WeakPolarHBondContact O-CG 3.19Å; V34-K38 PolarHBondContact O-N 3.26Å; G35-K38 PolarHBondContact O-N 3.32Å; H36-K38 PolarHBondContact O-N 3.31Å; K38-H40 VanDerWaalsContact C-N 3.26Å; K38-H40 PolarHBondContact O-N 2.85Å; K38-L41 PolarHBondContact O-N 3.16Å; K38-S42 PolarHBondContact O-N 3.12Å; K38-P51 HydrophobicContact CB-CB 4.05Å; K38-Q54 VanDerWaalsContact CA-OE1 3.25Å; K38-Q54 HydrophobicContact CD-CB 4.15Å; K38-Q54 WeakPolarHBondContact CE-O 3.28Å; K38-Q54 HydrophobicContact CG-CB 4.15Å; K38-Q54 PolarHBondContact NZ-O 3.35Å; K38-Q54 PolarHBondContact O-NE2 3.42Å; K38-Q54 PolarHBondContact O-OE1 3.11Å; K38-L56 HydrophobicContact CG-CD1 3.78Å; K38-L56 HydrophobicContact CG-CG 4.43Å; K38-D65 WeakPolarHBondContact CD-OD1 3Å; K38-D65 WeakPolarHBondContact CE-OD1 3.43Å; K38-D65 IonicContact NZ-OD1 2.78Å; K38-D65 PolarHBondContact NZ-OD1 3.4Å; K38-D65 IonicContact NZ-OD2 2.65Å
39A89.8Confident87Confident31 Ų3147.8 Ų47.826%0.25624%0.244SC..Hα-helixtrans-71.1-18.7174.700000113.3G35 H36 L37 S42 R43G35-A39 PolarHBondContact O-N 2.95Å; H36-A39 CarbonylContact O-C 3.53Å; H36-A39 PolarHBondContact O-N 3.48Å; H36-A39 VanDerWaalsContact O-N 3.17Å; L37-A39 PolarHBondContact O-N 3.45Å; A39-S42 PolarHBondContact O-OG 2.87Å; A39-R43 VanDerWaalsContact O-CZ 3.27Å; A39-R43 PolarHBondContact O-NE 3Å; A39-R43 PolarHBondContact O-NH2 2.84Å
40H89.6Confident86.9Confident47 Ų4753.5 Ų53.522%0.21826%0.263CS..Hα-helixtrans-78.1-48.8167.1-170.597.8000110.3W32 H36 L37 K38 S42 R43 V44W32-H40 HydrophobicContact CH2-CB 4.42Å; W32-H40 AromaticContact CH2-CE1 3.95Å; W32-H40 AromaticContact CH2-CG 3.97Å; W32-H40 AromaticContact CH2-ND1 3.53Å; W32-H40 HydrophobicContact CZ3-CB 3.91Å; W32-H40 AromaticContact CZ3-CG 3.85Å; W32-H40 AromaticContact CZ3-ND1 3.89Å; H36-H40 PolarHBondContact O-N 2.97Å; L37-H40 WeakPolarHBondContact O-CB 3.28Å; L37-H40 PolarHBondContact O-N 3.36Å; L37-H40 VanDerWaalsContact O-N 3.15Å; K38-H40 VanDerWaalsContact C-N 3.26Å; K38-H40 PolarHBondContact O-N 2.85Å; H40-S42 VanDerWaalsContact C-N 3.32Å; H40-S42 PolarHBondContact O-N 3.48Å; H40-R43 WeakPolarHBondContact O-CB 3.5Å; H40-R43 PolarHBondContact O-N 2.89Å; H40-V44 PolarHBondContact O-N 3.37Å
41L88.9Confident86.9Confident0 Ų055.2 Ų55.20%028%0.275CS..Hα-helixtrans-59.8-35.1178.5-80.6166000114V14 L24 L26 L37 K38 R43 V44 Y45 L56 L84V14-L41 HydrophobicContact CB-CD2 4.45Å; V14-L41 HydrophobicContact CG1-CD2 4.18Å; V14-L41 HydrophobicContact CG2-CD1 4.49Å; V14-L41 HydrophobicContact CG2-CD2 4.17Å; L24-L41 HydrophobicContact CD2-CD2 3.93Å; L26-L41 HydrophobicContact CD2-CD2 3.55Å; L26-L41 HydrophobicContact CD2-CG 4.17Å; L37-L41 HydrophobicContact CD1-CD1 4.31Å; L37-L41 HydrophobicContact CD1-CG 4.5Å; L37-L41 HydrophobicContact CG-CD1 4.19Å; L37-L41 PolarHBondContact O-N 2.89Å; K38-L41 PolarHBondContact O-N 3.16Å; L41-R43 PolarHBondContact O-N 3.17Å; L41-R43 VanDerWaalsContact O-N 3.13Å; L41-V44 PolarHBondContact O-N 3.45Å; L41-Y45 WeakPolarHBondContact O-CB 3.49Å; L41-Y45 PolarHBondContact O-N 2.76Å; L41-L56 HydrophobicContact CD1-CD1 4.12Å; L41-L56 HydrophobicContact CD1-CD2 3.8Å; L41-L56 HydrophobicContact CD1-CG 4.43Å; L41-L84 HydrophobicContact CD1-CD2 4.36Å; L41-L84 HydrophobicContact CD2-CD2 4.3Å
42S87.9Confident86.9Confident27 Ų2759.8 Ų59.819%0.18929%0.292CS..Hα-helixtrans-62.5-18.2175.362.70000113.9K38 A39 H40 R48 P49K38-S42 PolarHBondContact O-N 3.12Å; A39-S42 PolarHBondContact O-OG 2.87Å; H40-S42 VanDerWaalsContact C-N 3.32Å; H40-S42 PolarHBondContact O-N 3.48Å; S42-R48 WeakPolarHBondContact O-CA 3.16Å; S42-R48 WeakPolarHBondContact O-CB 3.37Å; S42-P49 WeakPolarHBondContact CB-O 3.46Å
43R86.4Confident86.7Confident161 Ų16159.1 Ų59.161%0.60829%0.291SS*.Hα-helixtrans-96.6-39.8177.2-70.8174.3-81.3179.5-2.8112.7A39 H40 L41A39-R43 VanDerWaalsContact O-CZ 3.27Å; A39-R43 PolarHBondContact O-NE 3Å; A39-R43 PolarHBondContact O-NH2 2.84Å; H40-R43 WeakPolarHBondContact O-CB 3.5Å; H40-R43 PolarHBondContact O-N 2.89Å; L41-R43 PolarHBondContact O-N 3.17Å; L41-R43 VanDerWaalsContact O-N 3.13Å
44V85.1Confident86.6Confident69 Ų6957.1 Ų57.142%0.41828%0.276SS..Hα-helixtrans-87.9-32.4-174.3-175.40000112.9L24 H40 L41L24-V44 HydrophobicContact CD1-CG1 3.98Å; L24-V44 HydrophobicContact CD2-CB 4.47Å; L24-V44 HydrophobicContact CD2-CG1 3.94Å; H40-V44 PolarHBondContact O-N 3.37Å; L41-V44 PolarHBondContact O-N 3.45Å
45Y82.8Confident86.5Confident7 Ų763.9 Ų63.93%0.02730%0.302CS..SBendtrans-77.9137.2-175.2-165.1-96.8000112.1S16 H21 L24 L41 E47 R48 P49 L84S16-Y45 WeakPolarHBondContact CB-OH 3.32Å; H21-Y45 HydrophobicContact CB-CE2 4.41Å; H21-Y45 AromaticContact CD2-CZ 3.84Å; H21-Y45 PolarHBondContact CD2-OH 2.85Å; L24-Y45 HydrophobicContact CD2-CD2 3.98Å; L41-Y45 WeakPolarHBondContact O-CB 3.49Å; L41-Y45 PolarHBondContact O-N 2.76Å; Y45-E47 HydrophobicContact CD1-CB 4.05Å; Y45-E47 HydrophobicContact CE1-CB 4.05Å; Y45-E47 HydrophobicContact CE1-CG 4.15Å; Y45-E47 PolarHBondContact O-N 2.93Å; Y45-R48 PolarHBondContact O-N 3.25Å; Y45-P49 HydrophobicContact CD1-CG 4.24Å; Y45-L84 HydrophobicContact CD1-CD2 4.4Å; Y45-L84 HydrophobicContact CD2-CD2 3.89Å; Y45-L84 HydrophobicContact CE2-CD2 4.02Å; Y45-L84 HydrophobicContact CG-CD2 4.08Å
46P77.8Confident86.6Confident92 Ų9262.8 Ų62.860%0.59729%0.291SS*.THydrogen-bonded Turntrans-56.2-39-171.4-29.135.8000115.7R48P46-R48 PolarHBondContact O-N 3.46Å
47E73.9Confident86.7Confident78 Ų7861.5 Ų61.536%0.36429%0.286SS..THydrogen-bonded Turntrans-76.1-7179.3-65.4179.516500113.9H21 Y45H21-E47 IonicContact CD2-OE1 3.72Å; H21-E47 IonicContact CE1-OE1 2.7Å; H21-E47 WeakPolarHBondContact NE2-CG 3.48Å; H21-E47 IonicContact NE2-OE1 3.72Å; H21-E47 PolarHBondContact NE2-OE1 3.35Å; Y45-E47 HydrophobicContact CD1-CB 4.05Å; Y45-E47 HydrophobicContact CE1-CB 4.05Å; Y45-E47 HydrophobicContact CE1-CG 4.15Å; Y45-E47 PolarHBondContact O-N 2.93Å
48R81.4Confident86.7Confident187 Ų18762.3 Ų62.371%0.70629%0.29SS*.  trans42.852.7-175.4-62-177.3178.4154.21114.1S42 Y45 P46S42-R48 WeakPolarHBondContact O-CA 3.16Å; S42-R48 WeakPolarHBondContact O-CB 3.37Å; Y45-R48 PolarHBondContact O-N 3.25Å; P46-R48 PolarHBondContact O-N 3.46Å
49P83.8Confident86.4Confident9 Ų966 Ų666%0.05832%0.317CS..  trans-63.2138.6-176.229-37.2000111.4S42 Y45 Q54 C86S42-P49 WeakPolarHBondContact CB-O 3.46Å; Y45-P49 HydrophobicContact CD1-CG 4.24Å; P49-Q54 HydrophobicContact CB-CG 3.76Å; P49-Q54 HydrophobicContact CG-CG 3.7Å; P49-Q54 PolarHBondContact O-NE2 3.05Å; P49-C86 HydrophobicContact CB-CB 4.22Å
50R86.5Confident86.2Confident164 Ų16468.1 Ų68.162%0.61934%0.342SS*.  trans-62.6140.8175-63.6-178178.7-155.31110.2E52 D53 Q54R50-E52 PolarHBondContact O-N 2.88Å; R50-E52 VanDerWaalsContact O-N 3.12Å; R50-D53 HydrophobicContact CB-CB 4.49Å; R50-D53 PolarHBondContact O-N 3.37Å; R50-Q54 WeakPolarHBondContact O-CG 3.42Å; R50-Q54 PolarHBondContact O-N 2.86Å; R50-Q54 VanDerWaalsContact O-N 3.14Å
51P86.7Confident86.1Confident48 Ų4873.2 Ų73.231%0.31236%0.363SS..G310 helixtrans-53.1-35.1179.8-29.436.9000114.4K38 D53 Q54K38-P51 HydrophobicContact CB-CB 4.05Å; P51-D53 VanDerWaalsContact C-N 3.31Å; P51-D53 PolarHBondContact O-N 2.83Å; P51-Q54 PolarHBondContact O-N 3.43Å
52E85.6Confident86.3Confident143 Ų14377.5 Ų77.567%0.66839%0.386SS*.G310 helixtrans-60-36.7174.1-59.8161.2-111.800113.6R50R50-E52 PolarHBondContact O-N 2.88Å; R50-E52 VanDerWaalsContact O-N 3.12Å
53D87.4Confident86.5Confident19 Ų1976.5 Ų76.510%0.10238%0.378CS..G310 helixtrans-92.6-5.6-177-66.1-47.2000112.1R50 P51 N87 K89R50-D53 HydrophobicContact CB-CB 4.49Å; R50-D53 PolarHBondContact O-N 3.37Å; P51-D53 VanDerWaalsContact C-N 3.31Å; P51-D53 PolarHBondContact O-N 2.83Å; D53-N87 WeakPolarHBondContact CB-O 3.29Å; D53-N87 PolarHBondContact O-N 2.89Å; D53-K89 VanDerWaalsContact OD1-CE 3.31Å; D53-K89 WeakPolarHBondContact OD1-CE 3.32Å; D53-K89 IonicContact OD1-NZ 2.72Å; D53-K89 PolarHBondContact OD1-NZ 2.93Å
54Q90.1Very high86.7Confident1 Ų172.8 Ų72.81%0.00537%0.37CS..EExtended strand (participates in β ladder)trans-85.6127.4173.5-67.7179.639.300111.3K38 P49 R50 P51 L84K38-Q54 VanDerWaalsContact CA-OE1 3.25Å; K38-Q54 HydrophobicContact CD-CB 4.15Å; K38-Q54 WeakPolarHBondContact CE-O 3.28Å; K38-Q54 HydrophobicContact CG-CB 4.15Å; K38-Q54 PolarHBondContact NZ-O 3.35Å; K38-Q54 PolarHBondContact O-NE2 3.42Å; K38-Q54 PolarHBondContact O-OE1 3.11Å; P49-Q54 HydrophobicContact CB-CG 3.76Å; P49-Q54 HydrophobicContact CG-CG 3.7Å; P49-Q54 PolarHBondContact O-NE2 3.05Å; R50-Q54 WeakPolarHBondContact O-CG 3.42Å; R50-Q54 PolarHBondContact O-N 2.86Å; R50-Q54 VanDerWaalsContact O-N 3.14Å; P51-Q54 PolarHBondContact O-N 3.43Å; Q54-L84 HydrophobicContact CB-CD1 3.88Å; Q54-L84 HydrophobicContact CG-CD1 3.95Å
55R90.4Very high86.9Confident142 Ų14273 Ų7354%0.53637%0.369SS..EExtended strand (participates in β ladder)trans-116120.5165.8-61.7179.2-177.6-172.20109L62 V85R55-L62 HydrophobicContact CB-CD1 3.82Å; R55-L62 HydrophobicContact CG-CD1 4.31Å; R55-V85 HydrophobicContact CB-CB 4.22Å; R55-V85 PolarHBondContact N-O 3.37Å; R55-V85 PolarHBondContact O-N 3.33Å
56L91.9Very high87.2Confident0 Ų079.5 Ų79.50%040%0.399CS..EExtended strand (participates in β ladder)trans-98.8132.5175.5-75.6169.1000109.4V34 L37 K38 L41 L63 L82 H83 L84V34-L56 HydrophobicContact CG1-CD1 4.29Å; L37-L56 HydrophobicContact CD2-CD1 3.77Å; L37-L56 HydrophobicContact CG-CD1 3.99Å; K38-L56 HydrophobicContact CG-CD1 3.78Å; K38-L56 HydrophobicContact CG-CG 4.43Å; L41-L56 HydrophobicContact CD1-CD1 4.12Å; L41-L56 HydrophobicContact CD1-CD2 3.8Å; L41-L56 HydrophobicContact CD1-CG 4.43Å; L56-L63 HydrophobicContact CB-CB 4.17Å; L56-L63 HydrophobicContact CB-CD1 4.25Å; L56-L63 HydrophobicContact CB-CG 4.42Å; L56-L63 PolarHBondContact O-N 2.91Å; L56-L82 HydrophobicContact CD2-CD2 4.38Å; L56-H83 WeakPolarHBondContact CA-O 3.26Å; L56-L84 HydrophobicContact CD2-CB 4.15Å; L56-L84 HydrophobicContact CD2-CD1 3.89Å; L56-L84 HydrophobicContact CG-CD1 4.3Å
57I92Very high87.8Confident51 Ų5178 Ų7826%0.26238%0.384SS..EExtended strand (participates in β ladder)trans-123.5127.8178.9-56173000108.3K61 L62 L82 H83 V85I57-K61 CarbonylContact C-O 3.5Å; I57-K61 VanDerWaalsContact CA-O 3.3Å; I57-K61 WeakPolarHBondContact CA-O 3.01Å; I57-L62 HydrophobicContact CG1-CD1 4.32Å; I57-L82 CarbonylContact O-C 3.6Å; I57-L82 WeakPolarHBondContact O-CA 3.22Å; I57-H83 HydrophobicContact CB-CB 4.34Å; I57-H83 PolarHBondContact N-O 2.85Å; I57-H83 PolarHBondContact O-N 2.86Å; I57-V85 HydrophobicContact CD1-CG2 3.95Å
58Y91.2Very high88.6Confident19 Ų1975.4 Ų75.48%0.07537%0.374CS..EExtended strand (participates in β ladder)trans-126.8127.3175.6176-112000109G60 K61 L72 L73 P74 E77 H80 V81 L82Y58-G60 PolarHBondContact O-N 3.45Å; Y58-G60 VanDerWaalsContact O-N 3.16Å; Y58-K61 PolarHBondContact N-O 3.45Å; Y58-K61 WeakPolarHBondContact O-CB 3.33Å; Y58-K61 PolarHBondContact O-N 3Å; Y58-L72 VanDerWaalsContact CE1-O 3.24Å; Y58-L72 WeakPolarHBondContact CE1-O 3.46Å; Y58-L73 HydrophobicContact CD1-CD2 4.06Å; Y58-L73 HydrophobicContact CD2-CD2 4.14Å; Y58-L73 HydrophobicContact CE1-CD2 3.91Å; Y58-L73 HydrophobicContact CE2-CD2 4.03Å; Y58-L73 HydrophobicContact CG-CD2 4.18Å; Y58-P74 WeakPolarHBondContact OH-CD 3.38Å; Y58-E77 PolarHBondContact OH-OE2 3.41Å; Y58-H80 HydrophobicContact CE2-CB 3.82Å; Y58-V81 WeakPolarHBondContact CD2-O 3.34Å; Y58-L82 HydrophobicContact CD2-CD1 4.36Å; Y58-L82 HydrophobicContact CD2-CG 4.25Å
59S84.7Confident88.9Confident92 Ų9266.8 Ų66.864%0.64334%0.342SS*.THydrogen-bonded Turntrans45.247.8-178.3-56.80000113.5K61S59-K61 VanDerWaalsContact C-N 3.25Å; S59-K61 PolarHBondContact O-N 3.39Å
60G85.3Confident89Confident75 Ų7571.6 Ų71.677%0.77336%0.359SS*.THydrogen-bonded Turntrans76.7-9.8-178.100000116.4Y58Y58-G60 PolarHBondContact O-N 3.45Å; Y58-G60 VanDerWaalsContact O-N 3.16Å
61K88.9Confident89Confident154 Ų15469.6 Ų69.667%0.6736%0.361SS*.EExtended strand (participates in β ladder)trans-95.1132.4-177.6-61.7177.7-176.8174.30111.8I57 Y58 S59I57-K61 CarbonylContact C-O 3.5Å; I57-K61 VanDerWaalsContact CA-O 3.3Å; I57-K61 WeakPolarHBondContact CA-O 3.01Å; Y58-K61 PolarHBondContact N-O 3.45Å; Y58-K61 WeakPolarHBondContact O-CB 3.33Å; Y58-K61 PolarHBondContact O-N 3Å; S59-K61 VanDerWaalsContact C-N 3.25Å; S59-K61 PolarHBondContact O-N 3.39Å
62L91.8Very high88.9Confident89 Ų8969 Ų6947%0.46636%0.355SS..EExtended strand (participates in β ladder)trans-71.6125.1171.117967.7000110.3R55 I57 L64R55-L62 HydrophobicContact CB-CD1 3.82Å; R55-L62 HydrophobicContact CG-CD1 4.31Å; I57-L62 HydrophobicContact CG1-CD1 4.32Å; L62-L64 HydrophobicContact CD2-CD2 4.39Å; L62-L64 HydrophobicContact CG-CD2 4.49Å
63L92.1Very high88.8Confident7 Ų762.4 Ų62.44%0.03732%0.324CS..EExtended strand (participates in β ladder)trans-86.5132.3178.6-55.3-170.1000110.9V34 L56 L72 L82V34-L63 HydrophobicContact CG1-CB 3.82Å; V34-L63 HydrophobicContact CG2-CB 3.91Å; V34-L63 HydrophobicContact CG2-CD1 4.25Å; L56-L63 HydrophobicContact CB-CB 4.17Å; L56-L63 HydrophobicContact CB-CD1 4.25Å; L56-L63 HydrophobicContact CB-CG 4.42Å; L56-L63 PolarHBondContact O-N 2.91Å; L63-L72 HydrophobicContact CD1-CD1 4.17Å; L63-L72 HydrophobicContact CD2-CD1 3.75Å; L63-L72 HydrophobicContact CD2-CD2 3.74Å; L63-L72 HydrophobicContact CD2-CG 4.29Å; L63-L72 HydrophobicContact CG-CD1 4.41Å; L63-L82 HydrophobicContact CD1-CD2 3.89Å
64L91.3Very high88.6Confident82 Ų8264 Ų6443%0.42934%0.336SS..  trans-106.8144-179.6-51.4175.6000110.5V34 L62 H66 Q67V34-L64 WeakPolarHBondContact CB-O 3.16Å; L62-L64 HydrophobicContact CD2-CD2 4.39Å; L62-L64 HydrophobicContact CG-CD2 4.49Å; L64-H66 PolarHBondContact O-N 2.87Å; L64-Q67 VanDerWaalsContact N-NE2 3.1Å; L64-Q67 WeakPolarHBondContact O-CB 3.29Å; L64-Q67 PolarHBondContact O-N 3.23Å
65D89.9Confident88Confident73 Ų7371 Ų7139%0.3937%0.366SS..THydrogen-bonded Turntrans-60.4-24.7-163-58.5-14.2000115.4G35 K38G35-D65 PolarHBondContact N-O 3.09Å; K38-D65 WeakPolarHBondContact CD-OD1 3Å; K38-D65 WeakPolarHBondContact CE-OD1 3.43Å; K38-D65 IonicContact NZ-OD1 2.78Å; K38-D65 PolarHBondContact NZ-OD1 3.4Å; K38-D65 IonicContact NZ-OD2 2.65Å
66H88.4Confident87.3Confident144 Ų14473.3 Ų73.367%0.66738%0.383SS*.THydrogen-bonded Turntrans-81.9-14.2178.461.7-105.3000114.4L64L64-H66 PolarHBondContact O-N 2.87Å
67Q90.4Very high86.6Confident61 Ų6177.6 Ų77.629%0.28540%0.403SS..SBendtrans-77.2143.8180-63.9178.78300110.1S33 V34 L64 L72S33-Q67 WeakPolarHBondContact CA-O 3.41Å; V34-Q67 HydrophobicContact CG2-CB 4.29Å; V34-Q67 WeakPolarHBondContact CG2-O 3.35Å; V34-Q67 PolarHBondContact N-O 2.88Å; L64-Q67 VanDerWaalsContact N-NE2 3.1Å; L64-Q67 WeakPolarHBondContact O-CB 3.29Å; L64-Q67 PolarHBondContact O-N 3.23Å; Q67-L72 HydrophobicContact CB-CD1 3.8Å; Q67-L72 HydrophobicContact CB-CG 4.37Å
68C90.9Very high85.9Confident24 Ų2483.9 Ų83.916%0.16243%0.428CS..BIsolated β-bridgetrans-93.8147.1177.1-55.90000111W32 R70 D71W32-C68 WeakPolarHBondContact O-CA 3.31Å; C68-R70 VanDerWaalsContact C-N 3.32Å; C68-R70 HydrophobicContact CB-CG 3.72Å; C68-R70 PolarHBondContact O-N 2.85Å; C68-R70 PolarHBondContact SG-NH2 3.28Å; C68-D71 WeakPolarHBondContact CB-OD2 3.31Å; C68-D71 PolarHBondContact O-N 3.02Å
69L87.4Confident85.6Confident5 Ų589.4 Ų89.43%0.02645%0.449CS..Hα-helixtrans-59.7-40.9-178.5-93.367.8000112.2L12 W32 V34 L37 D71 L72 L73L12-L69 HydrophobicContact CD1-CD2 3.72Å; W32-L69 HydrophobicContact CB-CD1 4.27Å; W32-L69 HydrophobicContact CB-CD2 4.47Å; W32-L69 WeakPolarHBondContact O-CD1 3.43Å; W32-L69 PolarHBondContact O-N 3.21Å; V34-L69 HydrophobicContact CG2-CD1 4.33Å; L37-L69 HydrophobicContact CB-CD1 4.29Å; L37-L69 HydrophobicContact CD2-CD1 4.22Å; L37-L69 HydrophobicContact CD2-CD2 4.33Å; L69-D71 PolarHBondContact O-N 2.83Å; L69-D71 VanDerWaalsContact O-N 3.16Å; L69-L72 PolarHBondContact O-N 3.33Å; L69-L72 VanDerWaalsContact O-N 3.13Å; L69-L73 HydrophobicContact CB-CD1 3.88Å; L69-L73 HydrophobicContact CD2-CD1 4.03Å; L69-L73 HydrophobicContact CG-CD1 3.86Å; L69-L73 VanDerWaalsContact O-CB 3.28Å; L69-L73 WeakPolarHBondContact O-CB 3.45Å; L69-L73 WeakPolarHBondContact O-CG 3.37Å; L69-L73 PolarHBondContact O-N 2.96Å
70R87.1Confident85.8Confident110 Ų11085.1 Ų85.142%0.41542%0.419SS..Hα-helixtrans-52.1-30.7175.150166.9170.2-115.5-13.4115.4R30 C68R30-R70 HydrophobicContact CB-CB 4.18Å; R30-R70 WeakPolarHBondContact O-CB 3.49Å; R30-R70 WeakPolarHBondContact O-CG 3.35Å; R30-R70 PolarHBondContact O-N 3.44Å; C68-R70 VanDerWaalsContact C-N 3.32Å; C68-R70 HydrophobicContact CB-CG 3.72Å; C68-R70 PolarHBondContact O-N 2.85Å; C68-R70 PolarHBondContact SG-NH2 3.28Å
71D85.6Confident86Confident122 Ų12284.1 Ų84.165%0.65240%0.398SS*.Hα-helixtrans-93.2-15.5-174.7-48.5-43.2000111.6C68 L69C68-D71 WeakPolarHBondContact CB-OD2 3.31Å; C68-D71 PolarHBondContact O-N 3.02Å; L69-D71 PolarHBondContact O-N 2.83Å; L69-D71 VanDerWaalsContact O-N 3.16Å
72L84.1Confident86.1Confident35 Ų3577 Ų7718%0.18337%0.367CS..Hα-helixtrans-101-32.8-177.3-71.5168.2000113.1V34 Y58 L63 Q67 L69V34-L72 HydrophobicContact CG2-CD1 3.69Å; Y58-L72 VanDerWaalsContact CE1-O 3.24Å; Y58-L72 WeakPolarHBondContact CE1-O 3.46Å; L63-L72 HydrophobicContact CD1-CD1 4.17Å; L63-L72 HydrophobicContact CD2-CD1 3.75Å; L63-L72 HydrophobicContact CD2-CD2 3.74Å; L63-L72 HydrophobicContact CD2-CG 4.29Å; L63-L72 HydrophobicContact CG-CD1 4.41Å; Q67-L72 HydrophobicContact CB-CD1 3.8Å; Q67-L72 HydrophobicContact CB-CG 4.37Å; L69-L72 PolarHBondContact O-N 3.33Å; L69-L72 VanDerWaalsContact O-N 3.13Å
73L84.9Confident86.1Confident5 Ų576.6 Ų76.63%0.02636%0.362CS..SBendtrans-107112.5-167.3-62.9178.3000110.8V10 L12 R30 Y58 L69 K75 H80V10-L73 HydrophobicContact CG1-CD1 4.23Å; L12-L73 HydrophobicContact CD2-CD1 3.69Å; R30-L73 PolarHBondContact NH2-O 2.83Å; Y58-L73 HydrophobicContact CD1-CD2 4.06Å; Y58-L73 HydrophobicContact CD2-CD2 4.14Å; Y58-L73 HydrophobicContact CE1-CD2 3.91Å; Y58-L73 HydrophobicContact CE2-CD2 4.03Å; Y58-L73 HydrophobicContact CG-CD2 4.18Å; L69-L73 HydrophobicContact CB-CD1 3.88Å; L69-L73 HydrophobicContact CD2-CD1 4.03Å; L69-L73 HydrophobicContact CG-CD1 3.86Å; L69-L73 VanDerWaalsContact O-CB 3.28Å; L69-L73 WeakPolarHBondContact O-CB 3.45Å; L69-L73 WeakPolarHBondContact O-CG 3.37Å; L69-L73 PolarHBondContact O-N 2.96Å; L73-K75 PolarHBondContact O-N 3.35Å; L73-H80 HydrophobicContact CD2-CB 3.91Å
74P82.8Confident86.1Confident54 Ų5476.3 Ų76.335%0.35136%0.361SS..  trans-58.5132.5-175.1-2534.5000113.8R30 Y58 Q76 E77 H80R30-P74 VanDerWaalsContact NH2-C 3.26Å; R30-P74 PolarHBondContact NH2-O 3.28Å; Y58-P74 WeakPolarHBondContact OH-CD 3.38Å; P74-Q76 PolarHBondContact O-N 3.22Å; P74-E77 PolarHBondContact O-N 2.96Å; P74-H80 PolarHBondContact O-CE1 3Å
75K78Confident86Confident148 Ų14874.9 Ų74.964%0.64336%0.356SS*.THydrogen-bonded Turntrans-63.6-14.1-176.7-68.8-159.4172.4-145.60115.5E8 L73E8-K75 IonicContact OE2-NZ 3.42Å; E8-K75 PolarHBondContact OE2-NZ 3.39Å; L73-K75 PolarHBondContact O-N 3.35Å
76Q75.3Confident85.8Confident190 Ų19072.7 Ų72.789%0.88835%0.345SS*.THydrogen-bonded Turntrans-82-28-178.9-68.9161-32.500112.9P74P74-Q76 PolarHBondContact O-N 3.22Å
77E77.4Confident85.3Confident89 Ų8969.7 Ų69.742%0.41633%0.334SS..  trans-86.8140.7175.9-79167.1-154.600110.5Y58 P74 H80Y58-E77 PolarHBondContact OH-OE2 3.41Å; P74-E77 PolarHBondContact O-N 2.96Å; E77-H80 WeakPolarHBondContact CB-CE1 3.14Å; E77-H80 IonicContact OE2-CE1 3.53Å; E77-H80 PolarHBondContact OE2-CE1 3.23Å; E77-H80 IonicContact OE2-CG 3.04Å; E77-H80 IonicContact OE2-ND1 2.63Å; E77-H80 PolarHBondContact OE2-ND1 3.47Å
78K76.1Confident84.1Confident183 Ų18371.7 Ų71.780%0.79635%0.351SS*.SBendtrans-96.3-22.6172.4-65.9-174.7178.5-178.90113.7T11T11-K78 WeakPolarHBondContact CB-O 3.29Å; T11-K78 PolarHBondContact N-O 2.97Å
79R84.4Confident82.7Confident136 Ų13676.9 Ų76.951%0.51337%0.371SS..EExtended strand (participates in β ladder)trans-133.1117.5-174.4-171.5176.8-168.4-128.211.7108.7T11 E25T11-R79 HydrophobicContact CG2-CB 4.48Å; T11-R79 HydrophobicContact CG2-CG 3.91Å; T11-R79 VanDerWaalsContact O-CA 3.32Å; T11-R79 WeakPolarHBondContact O-CA 3.47Å; E25-R79 IonicContact OE2-CZ 3.24Å; E25-R79 IonicContact OE2-NE 3.44Å; E25-R79 PolarHBondContact OE2-NE 2.77Å; E25-R79 IonicContact OE2-NH2 3.8Å; E25-R79 PolarHBondContact OE2-NH2 3.29Å
80H89.1Confident80.8Confident1 Ų181.5 Ų81.51%0.00540%0.403CS..EExtended strand (participates in β ladder)trans-115.2141.7-176.8-53.1-75.8000111V10 T11 L12 L13 R30 Y58 L73 P74 E77 L82V10-H80 WeakPolarHBondContact CG2-CD2 3.46Å; V10-H80 WeakPolarHBondContact CG2-NE2 3.4Å; T11-H80 PolarHBondContact O-N 2.99Å; L12-H80 HydrophobicContact CD2-CB 4.32Å; L13-H80 PolarHBondContact N-O 2.84Å; R30-H80 PolarHBondContact NH2-NE2 2.87Å; Y58-H80 HydrophobicContact CE2-CB 3.82Å; L73-H80 HydrophobicContact CD2-CB 3.91Å; P74-H80 PolarHBondContact O-CE1 3Å; E77-H80 WeakPolarHBondContact CB-CE1 3.14Å; E77-H80 IonicContact OE2-CE1 3.53Å; E77-H80 PolarHBondContact OE2-CE1 3.23Å; E77-H80 IonicContact OE2-CG 3.04Å; E77-H80 IonicContact OE2-ND1 2.63Å; E77-H80 PolarHBondContact OE2-ND1 3.47Å; H80-L82 HydrophobicContact CB-CD1 4.22Å
81V90.6Very high79Confident55 Ų5582.1 Ų82.133%0.33342%0.422SS..EExtended strand (participates in β ladder)trans-101.1117.6-177.5-172.90000110.8L13 K15 Y58L13-V81 HydrophobicContact CD2-CG2 4.23Å; L13-V81 WeakPolarHBondContact O-CA 3.35Å; K15-V81 HydrophobicContact CD-CG1 3.73Å; K15-V81 HydrophobicContact CG-CG1 3.8Å; Y58-V81 WeakPolarHBondContact CD2-O 3.34Å
82L91.6Very high76.6Confident3 Ų381.6 Ų81.62%0.01643%0.427CS..EExtended strand (participates in β ladder)trans-114.2140.7177.5-69.684.5000109.9L12 L13 V14 K15 L37 L56 I57 Y58 L63 H80L12-L82 HydrophobicContact CB-CD1 4.3Å; L12-L82 HydrophobicContact CD2-CD1 3.9Å; L13-L82 PolarHBondContact O-N 3.32Å; V14-L82 CarbonylContact C-O 3.54Å; V14-L82 VanDerWaalsContact CA-O 3.32Å; V14-L82 WeakPolarHBondContact CA-O 3.31Å; V14-L82 HydrophobicContact CG2-CB 4.47Å; K15-L82 PolarHBondContact N-O 3.11Å; L37-L82 HydrophobicContact CD2-CD2 4.06Å; L56-L82 HydrophobicContact CD2-CD2 4.38Å; I57-L82 CarbonylContact O-C 3.6Å; I57-L82 WeakPolarHBondContact O-CA 3.22Å; Y58-L82 HydrophobicContact CD2-CD1 4.36Å; Y58-L82 HydrophobicContact CD2-CG 4.25Å; L63-L82 HydrophobicContact CD1-CD2 3.89Å; H80-L82 HydrophobicContact CB-CD1 4.22Å
83H91.6Very high74.2Confident81 Ų8189.6 Ų89.638%0.37546%0.46SS..EExtended strand (participates in β ladder)trans-101.5124.4174.1-62.9-107.5000109.7K15 L56 I57K15-H83 WeakPolarHBondContact O-CA 3.37Å; L56-H83 WeakPolarHBondContact CA-O 3.26Å; I57-H83 HydrophobicContact CB-CB 4.34Å; I57-H83 PolarHBondContact N-O 2.85Å; I57-H83 PolarHBondContact O-N 2.86Å
84L90.5Very high72Confident1 Ų197.2 Ų97.21%0.00550%0.498CS..EExtended strand (participates in β ladder)trans-102106.3179.4175.361.9000110.8V14 K15 P17 L41 Y45 Q54 L56V14-L84 HydrophobicContact CG1-CB 3.49Å; V14-L84 VanDerWaalsContact CG1-CB 3.49Å; V14-L84 HydrophobicContact CG1-CD2 4.06Å; V14-L84 HydrophobicContact CG1-CG 4.41Å; K15-L84 PolarHBondContact O-N 3.26Å; P17-L84 WeakPolarHBondContact CD-O 3.48Å; L41-L84 HydrophobicContact CD1-CD2 4.36Å; L41-L84 HydrophobicContact CD2-CD2 4.3Å; Y45-L84 HydrophobicContact CD1-CD2 4.4Å; Y45-L84 HydrophobicContact CD2-CD2 3.89Å; Y45-L84 HydrophobicContact CE2-CD2 4.02Å; Y45-L84 HydrophobicContact CG-CD2 4.08Å; Q54-L84 HydrophobicContact CB-CD1 3.88Å; Q54-L84 HydrophobicContact CG-CD1 3.95Å; L56-L84 HydrophobicContact CD2-CB 4.15Å; L56-L84 HydrophobicContact CD2-CD1 3.89Å; L56-L84 HydrophobicContact CG-CD1 4.3Å
85V89Confident69.9Low53 Ų5399.6 Ų99.632%0.32151%0.513SS..EExtended strand (participates in β ladder)trans-92.2112172.3-166.10000109.1P17 R55 I57P17-V85 HydrophobicContact CG-CB 4.32Å; P17-V85 HydrophobicContact CG-CG1 4.48Å; P17-V85 HydrophobicContact CG-CG2 3.81Å; R55-V85 HydrophobicContact CB-CB 4.22Å; R55-V85 PolarHBondContact N-O 3.37Å; R55-V85 PolarHBondContact O-N 3.33Å; I57-V85 HydrophobicContact CD1-CG2 3.95Å
86C85.7Confident68Low26 Ų26101 Ų10118%0.17652%0.522CS..EExtended strand (participates in β ladder)trans-88.5108.5172.8-57.60000110.2P49 V88P49-C86 HydrophobicContact CB-CB 4.22Å; C86-V88 VanDerWaalsContact C-N 3.32Å; C86-V88 PolarHBondContact O-N 3.22Å; C86-V88 VanDerWaalsContact O-N 3.09Å
87N78.8Confident66.1Low81 Ų8197.8 Ų97.843%0.43352%0.515SS..  trans-84.174.5172.8-173.782.9000110.4D53 K89D53-N87 WeakPolarHBondContact CB-O 3.29Å; D53-N87 PolarHBondContact O-N 2.89Å; N87-K89 PolarHBondContact O-N 3Å
88V66.2Low64.3Low104 Ų10498.3 Ų98.363%0.6353%0.529SS*.  trans-61.994.2175.9-88.20000111.2C86 S90C86-V88 VanDerWaalsContact C-N 3.32Å; C86-V88 PolarHBondContact O-N 3.22Å; C86-V88 VanDerWaalsContact O-N 3.09Å; V88-S90 PolarHBondContact O-N 3.01Å
89K61.6Low62.5Low133 Ų13395.6 Ų95.658%0.57853%0.527SS*.  trans-60.2104.2157-66.5170.8-174.11290106.7D53 N87D53-K89 VanDerWaalsContact OD1-CE 3.31Å; D53-K89 WeakPolarHBondContact OD1-CE 3.32Å; D53-K89 IonicContact OD1-NZ 2.72Å; D53-K89 PolarHBondContact OD1-NZ 2.93Å; N87-K89 PolarHBondContact O-N 3Å
90S46.3Very low60.2Low102 Ų10298.5 Ų98.571%0.71354%0.543SS*.PPolyproline II helixtrans-56129167.840.90000108.1V88 S92V88-S90 PolarHBondContact O-N 3.01Å; S90-S92 PolarHBondContact O-N 2.93Å
91P48.6Very low57.7Low123 Ų123104.9 Ų104.980%0.79958%0.582SS**PPolyproline II helixtrans-61.3119172.625.5-32.1000107K93P91-K93 PolarHBondContact O-N 2.93Å
92S35.3Very low55Low110 Ų110106.1 Ų106.177%0.76960%0.599SS**PPolyproline II helixtrans-54.6127.4178.5-176.20000108.9S90 M94S90-S92 PolarHBondContact O-N 2.93Å; S92-M94 PolarHBondContact O-N 2.85Å
93K35.6Very low52Low203 Ų203114.6 Ų114.688%0.88364%0.638SS**  trans-67.284.4167.3-92.9-170.4169.1-173.10107.8P91 P95P91-K93 PolarHBondContact O-N 2.93Å; K93-P95 WeakPolarHBondContact O-CD 3.4Å
94M38.1Very low49.1Very low166 Ų166115.2 Ų115.282%0.81865%0.651SS**  trans-62.4123.3167.7-159.6169.685.700107.3S92 E96S92-M94 PolarHBondContact O-N 2.85Å; M94-E96 PolarHBondContact O-N 2.63Å
95P39.2Very low46.2Very low103 Ų103120.8 Ų120.867%0.66969%0.685SS**  trans-60.6136.1178.6-24.535.2000111K93 V97K93-P95 WeakPolarHBondContact O-CD 3.4Å; P95-V97 PolarHBondContact O-N 3.04Å
96E36.8Very low43.4Very low179 Ų179127.2 Ų127.284%0.83671%0.712SS**  trans-74.285.5-179.8-172.2177.2174.400110.3M94 S98M94-E96 PolarHBondContact O-N 2.63Å; E96-S98 VanDerWaalsContact C-N 3.32Å; E96-S98 PolarHBondContact O-N 3.43Å
97V35.1Very low40.7Very low121 Ų121134.5 Ų134.573%0.73374%0.744SS**  trans-80.482.2175.8-176.60000109.6P95 V99P95-V97 PolarHBondContact O-N 3.04Å; V97-V99 VanDerWaalsContact C-N 3.32Å; V97-V99 HydrophobicContact CG1-CG2 4.21Å; V97-V99 PolarHBondContact O-N 2.96Å; V97-V99 VanDerWaalsContact O-N 3.08Å
98S40.4Very low38.9Very low101 Ų101136.2 Ų136.271%0.70676%0.759SS**  trans-81.268177.8470000112.4E96E96-S98 VanDerWaalsContact C-N 3.32Å; E96-S98 PolarHBondContact O-N 3.43Å
99V38.6Very low37Very low125 Ų125135.9 Ų135.976%0.75877%0.768SS**  trans-116111.1173.2-171.30000112.5V97V97-V99 VanDerWaalsContact C-N 3.32Å; V97-V99 HydrophobicContact CG1-CG2 4.21Å; V97-V99 PolarHBondContact O-N 2.96Å; V97-V99 VanDerWaalsContact O-N 3.08Å
100K36.3Very low35.4Very low197 Ų197133.4 Ų133.486%0.85778%0.779SS**  trans-42.9143.5172.5179.9-175.9177.3-1700115.6
101V35.8Very low34.6Very low135 Ų135133.4 Ų133.482%0.81878%0.78SS**  trans-73.7132.6170.3174.90000111.8
102A33.8Very low33.6Very low82 Ų82134.9 Ų134.968%0.67878%0.781SS**  trans172124.3132.300000113.7
103E29.5Very low33.3Very low181 Ų181140.9 Ų140.985%0.84679%0.787SS**  trans48.6121.3138.7-72.1-170.799.900124.8
104S30.2Very low32.9Very low93 Ų93134.3 Ų134.365%0.6578%0.776SS**  92.7114118.3-64.90000123.5
105T29.9Very low32.5Very low118 Ų118135.3 Ų135.372%0.72478%0.779SS**  98.8130.1127.1-58.70000121.6
106E29.6Very low32Very low189 Ų189141 Ų14188%0.88379%0.789SS**  trans77.3133.5155.8-81.7165.5157.500125.5
107Q29Very low32.7Very low179 Ų179137 Ų13784%0.83678%0.778SS**  trans-86.3170.3158.7-99.2-179.4-100.600109
108P41.1Very low32.6Very low116 Ų116139.2 Ų139.275%0.75378%0.78SS**  cis-155.8168.240.842.7-20.3000121.1
109A26.8Very low32Very low98 Ų98141.3 Ų141.381%0.8178%0.783SS**  trans49.3126.2138.700000125.6
110G26.6Very low31.7Very low80 Ų80140.5 Ų140.583%0.82578%0.783SS**  trans95.1163.4142.200000118.6
111S29.5Very low31.4Very low103 Ų103136 Ų13672%0.7278%0.777SS**  cis-169.5116.8-18.7-176.10000113.1
112N28.8Very low31.4Very low154 Ų154135 Ų13582%0.82478%0.776SS**  trans60.4161.2150.8-70.9-76.2000123.5
113R27.8Very low31.4Very low236 Ų236139.3 Ų139.389%0.89179%0.787SS**  trans77.9127161.5-157.4-177.7-163.5163.34.1117.1
114G28.7Very low31.6Very low64 Ų64134 Ų13466%0.6678%0.781SS**  cis123105.4-15.400000115.5
115Q29.2Very low32Very low187 Ų187137.2 Ų137.287%0.87479%0.79SS**  trans-167.9145162.2-114.1158.1-27.400113.8
116Y28.8Very low32.3Very low224 Ų224142.6 Ų142.688%0.87880%0.797SS**  trans-107.6176.9163.3-89.6-78000107.5
117P51.3Low32.4Very low93 Ų93141.1 Ų141.160%0.60479%0.79SS**  cis-143.8-176.122.245.7-26.6000117.9
118E32.3Very low32.6Very low168 Ų168141.9 Ų141.979%0.78579%0.786SS**  trans55152.2145.9-74157.4134.200120.4
119D29.4Very low32.1Very low145 Ų145142.6 Ų142.678%0.77578%0.779SS**  cis-154.2174.715.1-154.6-8.7000113
120S30.5Very low32.5Very low108 Ų108143.7 Ų143.776%0.75578%0.775SS**  trans76.2144.2157.2-169.80000119.3
121S31.6Very low32.7Very low104 Ų104146.8 Ų146.873%0.72777%0.772SS**  cis-170173.1-26.3-171.30000109.7
122S35.7Very low32.7Very low113 Ų113153 Ų15379%0.7978%0.78SS**  trans65.1123.9-175.867.60000115.7
123D34.2Very low32.8Very low172 Ų172152.5 Ų152.592%0.9278%0.777SS**  cis111.5146.916.3-169.632.7000112.9
124G33.7Very low32.9Very low69 Ų69149.7 Ų149.771%0.71178%0.779SS**  trans11768.2176.500000116.5
125L38.5Very low32.9Very low162 Ų162152.1 Ų152.185%0.84879%0.786SS**  trans-94.6146.5168-70.4171.7000112.4
126R34.9Very low32.8Very low230 Ų230148.2 Ų148.287%0.86878%0.779SS**  trans129.9141.8133.8-71.9-168172.7161.80.3118.8
127Q31.9Very low33.4Very low159 Ų159143 Ų14374%0.74377%0.772SS**  trans80.7103.3153.7-61.6-86.441.300121.3
128R33.7Very low32.4Very low195 Ų195146.7 Ų146.774%0.73678%0.781SS**  50143.7106.1-168177.5168.5109.218.7121.8
129E31.2Very low32.4Very low131 Ų131149.9 Ų149.961%0.61279%0.787SS**  trans109.6104.8149.8-132.186.8-105.900119
130V33.3Very low32.6Very low120 Ų120149.9 Ų149.973%0.72778%0.782SS**  trans51.3118.7135178.90000122.5
131L32.4Very low32.7Very low146 Ų146151 Ų15176%0.76478%0.779SS**  trans62.9113.7144.7-169.777.6000120.9
132R29Very low32.8Very low234 Ų234153.7 Ų153.788%0.88378%0.784SS**  -165.4159.4125.9-109.2164.1-173-173.61.9113.9
133N30Very low33Very low143 Ų143153.5 Ų153.577%0.76578%0.783SS**  trans-62.3147.7-170.5-52.9-19.3000114.4
134L30.9Very low33.3Very low177 Ų177155.3 Ų155.393%0.92778%0.777SS**  trans-112.3161.3142.7-86.683.9000109.1
135S28.6Very low33.6Very low115 Ų115157.2 Ų157.280%0.80478%0.776SS**  trans-131.3-177.7-166.154.70000112.7
136S26.2Very low33.7Very low105 Ų105157.3 Ų157.373%0.73477%0.772SS**  trans85.7150.4171.9-141.50000115.9
137P41.4Very low34Very low114 Ų114150.6 Ų150.674%0.7477%0.766SS**  cis-120.3135.12.137.8-23.3000116.6
138E31.7Very low34.5Very low170 Ų170147 Ų14779%0.79476%0.764SS**  12.5115.4123.2-153.5170132.100118.9
139W31.8Very low34.8Very low236 Ų236145 Ų14589%0.89476%0.762SS**  trans-143.1112.6147.7177.9-82.7000108.2
140E34.3Very low35.2Very low144 Ų144147 Ų14767%0.67377%0.772SS**  trans-98166.6-175.3-72.7-151.8142.100114.4
141N32Very low35.7Very low132 Ų132145.5 Ų145.571%0.70677%0.772SS**  trans61.492.1160.2-92.1-71.4000118.5
142I33.4Very low36.3Very low160 Ų160146.2 Ų146.282%0.82177%0.77SS**  trans-114.4122140.3-65.7174.7000107.2R144I142-R144 PolarHBondContact O-N 3.02Å
143S40.3Very low36.8Very low109 Ų109144 Ų14476%0.76277%0.769SS**PPolyproline II helixtrans-64.5116.2-176.4-46.60000111.8
144R40.2Very low37.2Very low211 Ų211140.1 Ų140.180%0.79676%0.763SS**PPolyproline II helixtrans-88.5131.7172.3176.4176.1-75.1-169-3.7109.8I142 E146I142-R144 PolarHBondContact O-N 3.02Å; R144-E146 PolarHBondContact O-N 2.96Å
145P40Very low37.7Very low108 Ų108138.6 Ų138.670%0.70176%0.755SS**PPolyproline II helixtrans-70.2119.1175.627.7-33.7000111.1A147P145-A147 VanDerWaalsContact C-N 3.27Å; P145-A147 PolarHBondContact O-N 3.22Å
146E39.6Very low38.1Very low165 Ų165136.1 Ų136.177%0.77175%0.748SS**G310 helixtrans-75.6-12.4-171.2-148.1164.2134.200114.1R144 A148 Q149R144-E146 PolarHBondContact O-N 2.96Å; E146-A148 PolarHBondContact O-N 3.22Å; E146-A148 VanDerWaalsContact O-N 3.09Å; E146-Q149 PolarHBondContact O-N 3.44Å
147A42.1Very low39.1Very low89 Ų89138.2 Ų138.274%0.73676%0.758SS**G310 helixtrans-62.2-18.5-175.700000115.3P145P145-A147 VanDerWaalsContact C-N 3.27Å; P145-A147 PolarHBondContact O-N 3.22Å
148A41.4Very low39.1Very low84 Ų84135.8 Ų135.869%0.69476%0.755SS**G310 helixtrans-80.5-18.5-174.900000114.7E146E146-A148 PolarHBondContact O-N 3.22Å; E146-A148 VanDerWaalsContact O-N 3.09Å
149Q40.7Very low39.6Very low151 Ų151138.1 Ų138.171%0.70676%0.762SS**G310 helixtrans-84.3-13.3-170.7-67.6-160.6-45.500115E146 A151E146-Q149 PolarHBondContact O-N 3.44Å; Q149-A151 VanDerWaalsContact C-N 3.35Å; Q149-A151 PolarHBondContact O-N 2.94Å
150Q39.9Very low40.4Very low173 Ų173133 Ų13381%0.80876%0.763SS**G310 helixtrans-81.6-9.9-175.2-67.9-178.3-17.900114.3F152Q150-F152 PolarHBondContact O-N 3.48Å
151A43.9Very low40.9Very low89 Ų89129.2 Ų129.274%0.73676%0.762SS**G310 helixtrans-81.2-9.3-169.600000116Q149Q149-A151 VanDerWaalsContact C-N 3.35Å; Q149-A151 PolarHBondContact O-N 2.94Å
152F44.6Very low41.9Very low162 Ų162133.2 Ų133.271%0.71177%0.769SS**G310 helixtrans-143.639.7-169.9-135-100.6000116Q150 G154 L155Q150-F152 PolarHBondContact O-N 3.48Å; F152-G154 PolarHBondContact O-N 2.9Å; F152-L155 HydrophobicContact CE1-CB 4.22Å; F152-L155 HydrophobicContact CE1-CD1 3.85Å; F152-L155 HydrophobicContact CZ-CD1 4.11Å
153Q39.8Very low42.8Very low188 Ų188130.5 Ų130.588%0.87976%0.76SS**  trans-71.948.5169.2-80.1-81.427.500112.6
154G39.3Very low43.7Very low61 Ų61131.2 Ų131.263%0.62976%0.762SS**  trans-15018.4-155.900000118.6F152F152-G154 PolarHBondContact O-N 2.9Å
155L41.1Very low44.7Very low145 Ų145129.6 Ų129.676%0.75976%0.757SS**SBendtrans-153110.4174.6-111.6163.2000113.4F152F152-L155 HydrophobicContact CE1-CB 4.22Å; F152-L155 HydrophobicContact CE1-CD1 3.85Å; F152-L155 HydrophobicContact CZ-CD1 4.11Å
156G37Very low46.2Very low63 Ų63125.5 Ų125.565%0.64973%0.734SS**  trans48.7109.5152.900000120.5G158G156-G158 PolarHBondContact O-N 3.48Å
157P45.6Very low47.7Very low148 Ų148127.1 Ų127.196%0.96173%0.733SS**THydrogen-bonded Turntrans-70112.9167.830.1-32.8000110.6
158G41.7Very low49.6Very low64 Ų64128 Ų12866%0.6673%0.725SS**THydrogen-bonded Turntrans-170.2-30.8178.400000116G156G156-G158 PolarHBondContact O-N 3.48Å
159F43.2Very low51.4Low218 Ų218130.1 Ų130.196%0.95672%0.721SS**  trans-125.384.5-176.7-65.2-81.1000111.9
160S47.8Very low53.4Low130 Ų130127.8 Ų127.891%0.90971%0.713SS**  trans-127.5118.4168.4-1730000109
161G45.8Very low55.6Low63 Ų63121.8 Ų121.865%0.64969%0.69SS**SBendtrans157.9-27.8-178.600000114.7
162Y52.2Low57.4Low216 Ų216125.1 Ų125.185%0.84768%0.683SS**SBendtrans-131.9167.9175.1-68.1-84.8000111.2
163T52.6Low59.5Low104 Ų104123.6 Ų123.664%0.63868%0.677SS**  trans73.650174.374.30000121.1
164P58.6Low61.8Low124 Ų124121 Ų12181%0.80566%0.664SS**Hα-helixtrans-64.9-30.6146.530.1-32.7000111
165Y61.5Low64.1Low176 Ų176124.9 Ų124.969%0.6967%0.666SS**Hα-helixtrans-76.5-34.7-179.7-136.8-94000113.2W167 L168 Q169Y165-W167 VanDerWaalsContact C-N 3.31Å; Y165-W167 PolarHBondContact O-N 3.34Å; Y165-L168 PolarHBondContact O-N 3.15Å; Y165-Q169 PolarHBondContact O-N 2.95Å
166G72.4Confident66.1Low22 Ų22120.9 Ų120.923%0.22765%0.645CS.*Hα-helixtrans-63.8-33-177.500000113.6Q169 L170G166-Q169 PolarHBondContact O-N 2.89Å; G166-L170 VanDerWaalsContact O-CB 3.27Å; G166-L170 WeakPolarHBondContact O-CB 3.41Å; G166-L170 PolarHBondContact O-N 3.42Å
167W70.2Confident68.7Low199 Ų199124.8 Ų124.875%0.75464%0.641SS**Hα-helixtrans-63.5-45.7173.1-179.9-93.1000112.2Y165 L170 S171Y165-W167 VanDerWaalsContact C-N 3.31Å; Y165-W167 PolarHBondContact O-N 3.34Å; W167-L170 PolarHBondContact O-N 3.44Å; W167-S171 PolarHBondContact O-N 3.31Å; W167-S171 PolarHBondContact O-OG 3.02Å
168L82.9Confident70.8Confident107 Ų107120.5 Ų120.556%0.5662%0.618SS**Hα-helixtrans-66.8-37.4178.2-177.762.2000111.8Y165 S171 W172Y165-L168 PolarHBondContact O-N 3.15Å; L168-S171 PolarHBondContact O-OG 3.31Å; L168-W172 VanDerWaalsContact O-CB 3.23Å; L168-W172 WeakPolarHBondContact O-CB 3.33Å; L168-W172 PolarHBondContact O-N 3.5Å
169Q78.8Confident72.9Confident130 Ų130126.1 Ų126.161%0.60762%0.62SS**Hα-helixtrans-67-40.4175.6-171.7174.9-1.900111.9Y165 G166 F173Y165-Q169 PolarHBondContact O-N 2.95Å; G166-Q169 PolarHBondContact O-N 2.89Å; Q169-F173 WeakPolarHBondContact O-CB 3.36Å; Q169-F173 PolarHBondContact O-N 3.11Å
170L83.6Confident75Confident101 Ų101121.3 Ų121.353%0.52960%0.6SS.*Hα-helixtrans-70-40.4178-175.562.6000112.3G166 W167 F173 Q174G166-L170 VanDerWaalsContact O-CB 3.27Å; G166-L170 WeakPolarHBondContact O-CB 3.41Å; G166-L170 PolarHBondContact O-N 3.42Å; W167-L170 PolarHBondContact O-N 3.44Å; L170-F173 PolarHBondContact O-N 2.85Å; L170-Q174 PolarHBondContact O-N 3.19Å
171S84.3Confident76.9Confident47 Ų47123 Ų12333%0.32959%0.588SS.*Hα-helixtrans-68.9-38.8176.366.90000112.2W167 L168 Q174 Q175W167-S171 PolarHBondContact O-N 3.31Å; W167-S171 PolarHBondContact O-OG 3.02Å; L168-S171 PolarHBondContact O-OG 3.31Å; S171-Q174 PolarHBondContact O-N 3.5Å; S171-Q175 WeakPolarHBondContact O-CB 3.33Å; S171-Q175 PolarHBondContact O-N 3.36Å
172W82.1Confident79.1Confident159 Ų159126.6 Ų126.660%0.60258%0.583SS**Hα-helixtrans-59.9-44.4171.8-179.289.7000111.8L168 Q175 I176L168-W172 VanDerWaalsContact O-CB 3.23Å; L168-W172 WeakPolarHBondContact O-CB 3.33Å; L168-W172 PolarHBondContact O-N 3.5Å; W172-Q175 PolarHBondContact O-N 2.71Å; W172-I176 HydrophobicContact CD2-CD1 3.78Å; W172-I176 HydrophobicContact CE3-CD1 4.02Å; W172-I176 HydrophobicContact CH2-CD1 3.56Å; W172-I176 HydrophobicContact CZ2-CD1 3.28Å; W172-I176 HydrophobicContact CZ3-CD1 3.92Å; W172-I176 PolarHBondContact O-N 3.13Å
173F88.6Confident80.7Confident130 Ų130121.2 Ų121.257%0.5757%0.566SS**Hα-helixtrans-63.5-45.9176.8-167.7-89.3000112Q169 L170 Q175 I176 Y177Q169-F173 WeakPolarHBondContact O-CB 3.36Å; Q169-F173 PolarHBondContact O-N 3.11Å; L170-F173 PolarHBondContact O-N 2.85Å; F173-Q175 VanDerWaalsContact C-N 3.34Å; F173-Q175 PolarHBondContact O-N 2.96Å; F173-I176 PolarHBondContact O-N 2.85Å; F173-Y177 WeakPolarHBondContact O-CB 3.28Å; F173-Y177 PolarHBondContact O-N 3.44Å
174Q89.1Confident82.2Confident133 Ų133121.2 Ų121.262%0.62156%0.559SS**Hα-helixtrans-59.7-42.2173.5-79.5-163.5-6.200112.5L170 S171 I176 Y177 A178L170-Q174 PolarHBondContact O-N 3.19Å; S171-Q174 PolarHBondContact O-N 3.5Å; Q174-I176 PolarHBondContact O-N 3.16Å; Q174-Y177 PolarHBondContact O-N 2.72Å; Q174-A178 VanDerWaalsContact O-CB 3.27Å; Q174-A178 WeakPolarHBondContact O-CB 3.37Å; Q174-A178 PolarHBondContact O-N 3.18Å
175Q87.8Confident83.6Confident143 Ų143122.2 Ų122.267%0.66855%0.548SS*.Hα-helixtrans-64.9-39.2-178.8-172.6175.84.800112S171 W172 F173 R179S171-Q175 WeakPolarHBondContact O-CB 3.33Å; S171-Q175 PolarHBondContact O-N 3.36Å; W172-Q175 PolarHBondContact O-N 2.71Å; F173-Q175 VanDerWaalsContact C-N 3.34Å; F173-Q175 PolarHBondContact O-N 2.96Å; Q175-R179 VanDerWaalsContact O-CB 3.29Å; Q175-R179 WeakPolarHBondContact O-CB 3.24Å; Q175-R179 PolarHBondContact O-N 2.96Å
176I81.9Confident84.9Confident62 Ų62117.2 Ų117.232%0.31853%0.533SS..Hα-helixtrans-69.5-46.2174.8-71.8178.1000111W172 F173 Q174 A178 R179 Q180W172-I176 HydrophobicContact CD2-CD1 3.78Å; W172-I176 HydrophobicContact CE3-CD1 4.02Å; W172-I176 HydrophobicContact CH2-CD1 3.56Å; W172-I176 HydrophobicContact CZ2-CD1 3.28Å; W172-I176 HydrophobicContact CZ3-CD1 3.92Å; W172-I176 PolarHBondContact O-N 3.13Å; F173-I176 PolarHBondContact O-N 2.85Å; Q174-I176 PolarHBondContact O-N 3.16Å; I176-A178 PolarHBondContact O-N 3.16Å; I176-R179 PolarHBondContact O-N 2.83Å; I176-Q180 HydrophobicContact CG2-CG 4.39Å; I176-Q180 WeakPolarHBondContact O-CG 3.27Å; I176-Q180 PolarHBondContact O-N 2.79Å
177Y93.3Very high85.4Confident144 Ų144119 Ų11957%0.56555%0.546SS*.Hα-helixtrans-59.8-46.4178.9-175-97.8000112F173 Q174 R179 Q180 Y181F173-Y177 WeakPolarHBondContact O-CB 3.28Å; F173-Y177 PolarHBondContact O-N 3.44Å; Q174-Y177 PolarHBondContact O-N 2.72Å; Y177-R179 PolarHBondContact O-N 3.47Å; Y177-Q180 PolarHBondContact O-N 2.86Å; Y177-Y181 PolarHBondContact O-N 3.25Å
178A88.8Confident85.7Confident58 Ų58112.3 Ų112.348%0.47953%0.533SS..Hα-helixtrans-62.5-40175.300000112.3Q174 I176 Y182Q174-A178 VanDerWaalsContact O-CB 3.27Å; Q174-A178 WeakPolarHBondContact O-CB 3.37Å; Q174-A178 PolarHBondContact O-N 3.18Å; I176-A178 PolarHBondContact O-N 3.16Å; A178-Y182 WeakPolarHBondContact O-CB 3.41Å; A178-Y182 PolarHBondContact O-N 3.43Å
179R86.5Confident85.6Confident182 Ų182110 Ų11069%0.68752%0.524SS*.Hα-helixtrans-65.1-42.8175.5-176.9-178.9175.7104.22112Q175 I176 Y177 Y182 M183Q175-R179 VanDerWaalsContact O-CB 3.29Å; Q175-R179 WeakPolarHBondContact O-CB 3.24Å; Q175-R179 PolarHBondContact O-N 2.96Å; I176-R179 PolarHBondContact O-N 2.83Å; Y177-R179 PolarHBondContact O-N 3.47Å; R179-Y182 PolarHBondContact O-N 3.32Å; R179-M183 HydrophobicContact CG-CG 4.48Å; R179-M183 WeakPolarHBondContact O-CB 3.33Å; R179-M183 VanDerWaalsContact O-CG 3.28Å; R179-M183 WeakPolarHBondContact O-CG 3.28Å; R179-M183 PolarHBondContact O-N 3.42Å
180Q87.2Confident85.3Confident118 Ų118107.7 Ų107.755%0.55153%0.526SS*.Hα-helixtrans-60.5-50.2176-75.8174.5-27.200110.6I176 Y177 Y182 M183 Q184I176-Q180 HydrophobicContact CG2-CG 4.39Å; I176-Q180 WeakPolarHBondContact O-CG 3.27Å; I176-Q180 PolarHBondContact O-N 2.79Å; Y177-Q180 PolarHBondContact O-N 2.86Å; Q180-Y182 VanDerWaalsContact C-N 3.33Å; Q180-Y182 PolarHBondContact O-N 3.36Å; Q180-M183 PolarHBondContact O-N 3.37Å; Q180-Q184 PolarHBondContact O-N 3.15Å
181Y87.5Confident84.4Confident164 Ų164107.1 Ų107.164%0.64354%0.536SS*.Hα-helixtrans-61.4-39.3179-157.5-87.9000112.7Y177 Q184 Y185Y177-Y181 PolarHBondContact O-N 3.25Å; Y181-Q184 WeakPolarHBondContact O-CB 3.18Å; Y181-Q184 PolarHBondContact O-N 3.35Å; Y181-Y185 PolarHBondContact O-N 3.46Å
182Y91.3Very high83.3Confident140 Ų140108.5 Ų108.555%0.54955%0.546SS..Hα-helixtrans-68.4-39.1175.8-177-109.8000113.1A178 R179 Q180 Q184 Y185 L186A178-Y182 WeakPolarHBondContact O-CB 3.41Å; A178-Y182 PolarHBondContact O-N 3.43Å; R179-Y182 PolarHBondContact O-N 3.32Å; Q180-Y182 VanDerWaalsContact C-N 3.33Å; Q180-Y182 PolarHBondContact O-N 3.36Å; Y182-Q184 VanDerWaalsContact C-N 3.34Å; Y182-Y185 PolarHBondContact O-N 3.22Å; Y182-L186 HydrophobicContact CD1-CD1 3.97Å; Y182-L186 HydrophobicContact CE1-CD1 3.42Å; Y182-L186 VanDerWaalsContact CE1-CD1 3.42Å; Y182-L186 HydrophobicContact CE1-CG 4.09Å; Y182-L186 HydrophobicContact CE2-CG 4.42Å; Y182-L186 PolarHBondContact O-N 3.43Å
183M86.6Confident82.2Confident102 Ų102104 Ų10450%0.50255%0.548SS..Hα-helixtrans-65-38.1172.4-72.5-61.4-56.800111.8R179 Q180 L186 A187R179-M183 HydrophobicContact CG-CG 4.48Å; R179-M183 WeakPolarHBondContact O-CB 3.33Å; R179-M183 VanDerWaalsContact O-CG 3.28Å; R179-M183 WeakPolarHBondContact O-CG 3.28Å; R179-M183 PolarHBondContact O-N 3.42Å; Q180-M183 PolarHBondContact O-N 3.37Å; M183-L186 PolarHBondContact O-N 3.08Å; M183-A187 VanDerWaalsContact O-CB 3.32Å; M183-A187 WeakPolarHBondContact O-CB 3.32Å; M183-A187 PolarHBondContact O-N 2.87Å
184Q83.4Confident80.1Confident104 Ų104101.3 Ų101.349%0.48655%0.551SS.*Hα-helixtrans-60.7-45.6173.7-156.390.236.400111.3Q180 Y181 Y182 A187 A188 G250Q180-Q184 PolarHBondContact O-N 3.15Å; Y181-Q184 WeakPolarHBondContact O-CB 3.18Å; Y181-Q184 PolarHBondContact O-N 3.35Å; Y182-Q184 VanDerWaalsContact C-N 3.34Å; Q184-A187 PolarHBondContact O-N 3.39Å; Q184-A188 WeakPolarHBondContact O-CB 3.25Å; Q184-A188 PolarHBondContact O-N 3.36Å; Q184-G250 PolarHBondContact NE2-O 3.31Å
185Y88.4Confident77.9Confident145 Ų145104.2 Ų104.257%0.56956%0.561SS**Hα-helixtrans-61.4-50.4176178-95.8000111.6Y181 Y182 A187 A188 T189Y181-Y185 PolarHBondContact O-N 3.46Å; Y182-Y185 PolarHBondContact O-N 3.22Å; Y185-A187 VanDerWaalsContact C-N 3.33Å; Y185-A187 PolarHBondContact O-N 3.1Å; Y185-A188 PolarHBondContact O-N 3.16Å; Y185-A188 VanDerWaalsContact O-N 3.16Å; Y185-T189 PolarHBondContact O-N 2.85Å; Y185-T189 PolarHBondContact O-OG1 3.48Å; Y185-T189 VanDerWaalsContact O-OG1 3.05Å
186L87.9Confident75.7Confident71 Ų71103.2 Ų103.237%0.37257%0.565SS.*Hα-helixtrans-59.4-41.2176.7-77.4177.5000112.5Y182 M183 T189 A190Y182-L186 HydrophobicContact CD1-CD1 3.97Å; Y182-L186 HydrophobicContact CE1-CD1 3.42Å; Y182-L186 VanDerWaalsContact CE1-CD1 3.42Å; Y182-L186 HydrophobicContact CE1-CG 4.09Å; Y182-L186 HydrophobicContact CE2-CG 4.42Å; Y182-L186 PolarHBondContact O-N 3.43Å; M183-L186 PolarHBondContact O-N 3.08Å; L186-T189 PolarHBondContact O-N 3.3Å; L186-A190 VanDerWaalsContact O-CB 3.28Å; L186-A190 WeakPolarHBondContact O-CB 3.26Å; L186-A190 PolarHBondContact O-N 2.96Å
187A83.1Confident73.9Confident60 Ų60104.7 Ų104.750%0.49658%0.579SS.*Hα-helixtrans-63.3-42.2175.900000111.7M183 Q184 Y185 A190 A191M183-A187 VanDerWaalsContact O-CB 3.32Å; M183-A187 WeakPolarHBondContact O-CB 3.32Å; M183-A187 PolarHBondContact O-N 2.87Å; Q184-A187 PolarHBondContact O-N 3.39Å; Y185-A187 VanDerWaalsContact C-N 3.33Å; Y185-A187 PolarHBondContact O-N 3.1Å; A187-A190 PolarHBondContact O-N 3.01Å; A187-A191 WeakPolarHBondContact O-CB 3.18Å; A187-A191 PolarHBondContact O-N 3.16Å
188A77.3Confident71.4Confident59 Ų59103.4 Ų103.449%0.48859%0.588SS.*Hα-helixtrans-66.4-40.5175.900000112.7Q184 Y185 A191 S192Q184-A188 WeakPolarHBondContact O-CB 3.25Å; Q184-A188 PolarHBondContact O-N 3.36Å; Y185-A188 PolarHBondContact O-N 3.16Å; Y185-A188 VanDerWaalsContact O-N 3.16Å; A188-A191 PolarHBondContact O-N 3.42Å; A188-S192 WeakPolarHBondContact O-CB 3.27Å; A188-S192 PolarHBondContact O-N 3.38Å; A188-S192 PolarHBondContact O-OG 2.87Å
189T80.1Confident69.1Low59 Ų59106.5 Ų106.536%0.36260%0.603SS.*Hα-helixtrans-70-34.3176.4-52.30000112.5Y185 L186 S192Y185-T189 PolarHBondContact O-N 2.85Å; Y185-T189 PolarHBondContact O-OG1 3.48Å; Y185-T189 VanDerWaalsContact O-OG1 3.05Å; L186-T189 PolarHBondContact O-N 3.3Å; T189-S192 PolarHBondContact O-OG 3.41Å
190A72.7Confident66.6Low80 Ų80104 Ų10466%0.66161%0.613SS**Hα-helixtrans-70.1-42.917300000111.6L186 A187 S192 G193L186-A190 VanDerWaalsContact O-CB 3.28Å; L186-A190 WeakPolarHBondContact O-CB 3.26Å; L186-A190 PolarHBondContact O-N 2.96Å; A187-A190 PolarHBondContact O-N 3.01Å; A190-S192 PolarHBondContact O-N 2.98Å; A190-G193 PolarHBondContact O-N 3.05Å
191A64.4Low64Low90 Ų90103.1 Ų103.174%0.74463%0.626SS**Hα-helixtrans-69.6-28.3178.500000113.6A187 A188 G193A187-A191 WeakPolarHBondContact O-CB 3.18Å; A187-A191 PolarHBondContact O-N 3.16Å; A188-A191 PolarHBondContact O-N 3.42Å; A191-G193 VanDerWaalsContact C-N 3.28Å; A191-G193 PolarHBondContact O-N 2.9Å
192S61.1Low61.6Low75 Ų75103.5 Ų103.552%0.52463%0.634SS.*THydrogen-bonded Turntrans-77.1-11.6176.370.10000114A188 T189 A190 A194A188-S192 WeakPolarHBondContact O-CB 3.27Å; A188-S192 PolarHBondContact O-N 3.38Å; A188-S192 PolarHBondContact O-OG 2.87Å; T189-S192 PolarHBondContact O-OG 3.41Å; A190-S192 PolarHBondContact O-N 2.98Å; S192-A194 PolarHBondContact O-N 3.35Å
193G58.7Low58.7Low64 Ų64103.9 Ų103.966%0.6664%0.641SS**THydrogen-bonded Turntrans61.510.2177.200000115.1A190 A191 F195A190-G193 PolarHBondContact O-N 3.05Å; A191-G193 VanDerWaalsContact C-N 3.28Å; A191-G193 PolarHBondContact O-N 2.9Å; G193-F195 PolarHBondContact O-N 2.86Å
194A45.5Very low56.3Low75 Ų75106.3 Ų106.362%0.6265%0.654SS**  trans-83.649.6-16100000114.2S192 V196S192-A194 PolarHBondContact O-N 3.35Å; A194-V196 PolarHBondContact O-N 2.94Å
195F42.4Very low54.3Low193 Ų193106.6 Ų106.685%0.84667%0.665SS**  trans-96.963.3170.8-140.5-77.4000111.5G193 P197G193-F195 PolarHBondContact O-N 2.86Å; F195-P197 VanDerWaalsContact O-CD 3.26Å; F195-P197 WeakPolarHBondContact O-CD 3.4Å
196V41.3Very low51.5Low122 Ų122105.9 Ų105.974%0.73968%0.676SS**  trans-91.5105.6165.4179.20000107.9A194 P198A194-V196 PolarHBondContact O-N 2.94Å; V196-P198 WeakPolarHBondContact O-CD 3.49Å
197P43.6Very low48.9Very low94 Ų94108.5 Ų108.561%0.6169%0.694SS**PPolyproline II helixtrans-67.1124.1167.528.4-32.2000108.4F195F195-P197 VanDerWaalsContact O-CD 3.26Å; F195-P197 WeakPolarHBondContact O-CD 3.4Å
198P41.3Very low46.9Very low117 Ų117111.6 Ų111.676%0.7671%0.712SS**PPolyproline II helixtrans-66130.8178.426.5-33.2000109.8V196 S200V196-P198 WeakPolarHBondContact O-CD 3.49Å; P198-S200 PolarHBondContact O-N 2.9Å
199P40.6Very low44.7Very low122 Ų122113 Ų11379%0.79272%0.724SS**PPolyproline II helixtrans-71.4129.4-179.928.3-33.7000111.4
200S33.3Very low42.5Very low129 Ų129116 Ų11690%0.90275%0.745SS**  trans5111.1165.6-54.20000118.9P198P198-S200 PolarHBondContact O-N 2.9Å
201A33.1Very low40.8Very low100 Ų100116.8 Ų116.883%0.82675%0.75SS**  trans-127141.714800000109.4
202Q36.4Very low39.3Very low172 Ų172118.4 Ų118.480%0.80475%0.753SS**  trans-75.7161.3179.5-67.5150.2-3600110.3
203E31.3Very low38Very low149 Ų149119 Ų11970%0.69676%0.763SS**  cis-167.8-179-3.7-113.9171.760.400107.2
204I35.8Very low37Very low153 Ų153122 Ų12279%0.78577%0.771SS**  cis-123.2-124.36.3-27.2156.6000109.5
205P42.4Very low36.5Very low109 Ų109126.6 Ų126.671%0.70878%0.783SS**  trans-122-179.2-173.446.7-31.5000116
206V29.8Very low36.2Very low131 Ų131125.2 Ų125.279%0.79478%0.779SS**  -172.5126.5123.4142.10000112.2
207V32Very low35.9Very low126 Ų126126.4 Ų126.476%0.76478%0.781SS**  trans41.9114.1155.3-177.40000120.2
208S40.8Very low35.3Very low125 Ų125130.2 Ų130.287%0.87479%0.791SS**  trans-68.8136.8158.5-47.90000112.1
209A31Very low34.8Very low88 Ų88133.8 Ų133.873%0.72780%0.795SS**  trans-128.6155.7171.500000110.2
210P34.8Very low34.8Very low123 Ų123133 Ų13380%0.79979%0.79SS**PPolyproline II helixtrans-82.5151.3-152.131.1-36.8000115.4
211A36.2Very low34.9Very low95 Ų95131.6 Ų131.679%0.78579%0.786SS**PPolyproline II helixtrans-72.8131.317000000111.5
212P33.6Very low34.8Very low124 Ų124135.5 Ų135.581%0.80579%0.787SS**PPolyproline II helixtrans-65.1142165.4-19.433000111.1
213A34.7Very low34.9Very low87 Ų87134.8 Ų134.872%0.71979%0.789SS**PPolyproline II helixtrans-71.4144.8-175.100000113.1I215A213-I215 PolarHBondContact O-N 2.91Å
214P36.3Very low34.9Very low128 Ų128136.6 Ų136.683%0.83180%0.797SS**PPolyproline II helixtrans-68.8129.8171.129.3-33.7000110.4
215I35.4Very low34.9Very low171 Ų171135.2 Ų135.288%0.87780%0.798SS**PPolyproline II helixtrans-75.2140.7176.6-67.5-178.6000110.4A213A213-I215 PolarHBondContact O-N 2.91Å
216H36.6Very low34.8Very low164 Ų164134.1 Ų134.176%0.75980%0.799SS**SBendtrans-77.6120-168-173.394000113.1
217N34.5Very low34.8Very low147 Ų147134.6 Ų134.679%0.78680%0.796SS**  trans-171.182.6142.7-101-10000109.7
218Q31.7Very low35.3Very low174 Ų174137.1 Ų137.181%0.81380%0.8SS**  trans-105.9112.1178.9-176.9177.317.500109.3
219F31.3Very low35.3Very low192 Ų192138.2 Ų138.284%0.84280%0.796SS**  trans-77.4144.2161.9-82.5-83.6000109.6
220P39.7Very low35.3Very low106 Ų106138.6 Ų138.669%0.68880%0.799SS**  trans-74.8138-168.9-15.131000112.5E222P220-E222 PolarHBondContact O-N 2.94Å
221A35Very low35.1Very low99 Ų99136.1 Ų136.182%0.81879%0.789SS**  trans-76.7102.3157.500000107.7
222E32.3Very low35.1Very low182 Ų182137.6 Ų137.685%0.8579%0.791SS**  trans-71.1135.2-178.1-167.9148.894.100111.4P220 Q224P220-E222 PolarHBondContact O-N 2.94Å; E222-Q224 PolarHBondContact O-N 3.23Å
223N38.2Very low35Very low157 Ų157139.7 Ų139.784%0.8479%0.79SS**  trans-67.7129.1-172.8-65.2-83.5000111.6
224Q31.5Very low34.9Very low187 Ų187141.3 Ų141.387%0.87479%0.79SS**  trans-114.9141.8157.7-72.9-167-9.300110.3E222E222-Q224 PolarHBondContact O-N 3.23Å
225P35.4Very low35.4Very low124 Ų124141.8 Ų141.881%0.80579%0.791SS**  trans-78.6148.6-161.830.6-36.5000113.6N227P225-N227 PolarHBondContact O-N 2.87Å; P225-N227 VanDerWaalsContact O-N 3.12Å
226A39.3Very low35.3Very low87 Ų87139 Ų13972%0.71978%0.782SS**  trans-67.1106.7171.900000111.1Q228A226-Q228 PolarHBondContact O-N 3.16Å
227N30Very low35.6Very low140 Ų140137.6 Ų137.675%0.74978%0.78SS**  trans-82.298.8172-172.5-3.9000110.2P225 N229P225-N227 PolarHBondContact O-N 2.87Å; P225-N227 VanDerWaalsContact O-N 3.12Å; N227-N229 PolarHBondContact O-N 2.85Å
228Q42.7Very low35.7Very low179 Ų179135.8 Ų135.884%0.83678%0.776SS**  trans-79.738-175-59.6-1774.200113.8A226A226-Q228 PolarHBondContact O-N 3.16Å
229N41.8Very low35.9Very low149 Ų149130.4 Ų130.480%0.79777%0.767SS**  trans-143.381.7178-98.7-46.3000112.5N227N227-N229 PolarHBondContact O-N 2.85Å
230A30.4Very low36.4Very low96 Ų96124.7 Ų124.779%0.79376%0.755SS**  trans-139.3125.3159.700000108.5
231A31.2Very low36.6Very low71 Ų71126.8 Ų126.859%0.58776%0.76SS**  trans-65.9145.3179.900000111Q233A231-Q233 PolarHBondContact O-N 2.83Å; A231-Q233 PolarHBondContact O-NE2 2.88Å
232P35.6Very low37.2Very low126 Ų126130.5 Ų130.582%0.81876%0.761SS**  trans-59.2109-176.324.4-34.4000110.5V234P232-V234 PolarHBondContact O-N 2.94Å
233Q31.6Very low38Very low168 Ų168128.8 Ų128.879%0.78576%0.757SS**  trans-70.9116.7176.5-64.6-53.5-66.600108.7A231A231-Q233 PolarHBondContact O-N 2.83Å; A231-Q233 PolarHBondContact O-NE2 2.88Å
234V33Very low38.5Very low120 Ų120127 Ų12773%0.72775%0.748SS**  trans-54.3138-174.9175.70000110.5P232 V236P232-V234 PolarHBondContact O-N 2.94Å; V234-V236 VanDerWaalsContact C-N 3.27Å; V234-V236 HydrophobicContact CB-CG2 4.34Å; V234-V236 HydrophobicContact CG1-CG2 4.01Å; V234-V236 PolarHBondContact O-N 2.67Å
235V46.1Very low39.5Very low138 Ų138127.4 Ų127.484%0.83674%0.741SS**  trans-65.890.5167.8178.80000108.6
236V34.1Very low40.3Very low114 Ų114128.1 Ų128.169%0.69174%0.735SS**  trans-99.6110.9163.4-171.10000106.4V234 P238V234-V236 VanDerWaalsContact C-N 3.27Å; V234-V236 HydrophobicContact CB-CG2 4.34Å; V234-V236 HydrophobicContact CG1-CG2 4.01Å; V234-V236 PolarHBondContact O-N 2.67Å; V236-P238 HydrophobicContact CG1-CG 4.38Å; V236-P238 WeakPolarHBondContact O-CD 3.37Å
237N41.3Very low41Very low134 Ų134127.6 Ų127.672%0.71772%0.72SS**  trans-110.395.8173.5177.70.5000109.2
238P37.5Very low42Very low109 Ų109126.7 Ų126.771%0.70873%0.732SS**  trans-105.2117.6169.934.9-23000110.4V236V236-P238 HydrophobicContact CG1-CG 4.38Å; V236-P238 WeakPolarHBondContact O-CD 3.37Å
239G36.3Very low42.8Very low60 Ų60126.8 Ų126.862%0.61973%0.733SS**  trans90.981.7170.900000114.8N241G239-N241 PolarHBondContact O-N 3.45Å
240A41.3Very low43.5Very low72 Ų72121.1 Ų121.160%0.59571%0.71SS**  trans-64.4118.9157.300000108.9Q242A240-Q242 VanDerWaalsContact C-N 3.29Å; A240-Q242 PolarHBondContact O-N 3.03Å
241N43Very low45Very low150 Ų150117.9 Ų117.980%0.80269%0.685SS**  trans-71.880.9177.3-80.3-39000111.1G239 N243 L244G239-N241 PolarHBondContact O-N 3.45Å; N241-N243 PolarHBondContact O-N 3.13Å; N241-L244 PolarHBondContact O-N 2.82Å
242Q49Very low45.9Very low177 Ų177120.1 Ų120.183%0.82769%0.694SS**THydrogen-bonded Turntrans-66.2-1.4-177.9-69.6-177.3-12.200114.9A240A240-Q242 VanDerWaalsContact C-N 3.29Å; A240-Q242 PolarHBondContact O-N 3.03Å
243N48.3Very low46.7Very low146 Ų146116.6 Ų116.678%0.78167%0.668SS**THydrogen-bonded Turntrans-102.55.7178.8-73-51.4000114.9N241 R245N241-N243 PolarHBondContact O-N 3.13Å; N243-R245 PolarHBondContact O-N 2.86Å
244L50.1Low48Very low121 Ų121113 Ų11363%0.63466%0.657SS**  trans-74.175.1163.8-17067.2000109.7N241 M246N241-L244 PolarHBondContact O-N 2.82Å; L244-M246 HydrophobicContact CD2-CE 3.7Å; L244-M246 HydrophobicContact CG-CE 3.91Å; L244-M246 HydrophobicContact CG-SD 4.45Å
245R51.4Low49.2Very low194 Ų194114.8 Ų114.873%0.73266%0.657SS**  trans-67.2146.4162.2-75178.6163.6152.3-2.6108.4N243 I253N243-R245 PolarHBondContact O-N 2.86Å; R245-I253 HydrophobicContact CB-CD1 4.19Å; R245-I253 WeakPolarHBondContact O-CD1 3.1Å
246M51.7Low49.5Very low140 Ų140115.4 Ų115.469%0.6965%0.651SS**  trans-104139.2165.2-76.177.4-176.100108.4L244L244-M246 HydrophobicContact CD2-CE 3.7Å; L244-M246 HydrophobicContact CG-CE 3.91Å; L244-M246 HydrophobicContact CG-SD 4.45Å
247N55.6Low50.3Low75 Ų75116 Ų11640%0.40165%0.651SS.*  trans-73.3159.5167.47517.9000109.6Q249 G250 G251 I253N247-Q249 PolarHBondContact O-N 2.92Å; N247-Q249 WeakPolarHBondContact OD1-CA 3.32Å; N247-Q249 PolarHBondContact OD1-N 3.48Å; N247-G250 PolarHBondContact O-N 3.16Å; N247-G250 PolarHBondContact OD1-N 2.81Å; N247-G251 PolarHBondContact OD1-N 3.04Å; N247-I253 HydrophobicContact CB-CD1 4.33Å
248A50.7Low50.9Low121 Ų121114.7 Ų114.7100%164%0.644SS**THydrogen-bonded Turntrans-69.68.3179.700000114
249Q58.4Low51.7Low181 Ų181114.9 Ų114.985%0.84664%0.635SS**THydrogen-bonded Turntrans-128.215.8-173.6-157.7164.3-1.900112.7N247 G251N247-Q249 PolarHBondContact O-N 2.92Å; N247-Q249 WeakPolarHBondContact OD1-CA 3.32Å; N247-Q249 PolarHBondContact OD1-N 3.48Å; Q249-G251 VanDerWaalsContact C-N 3.27Å; Q249-G251 PolarHBondContact O-N 3.37Å; Q249-G251 VanDerWaalsContact O-N 3.16Å
250G56.8Low52.4Low31 Ų31118.9 Ų118.932%0.3264%0.641SS.*  trans73.32.2165.900000117Q184 N247Q184-G250 PolarHBondContact NE2-O 3.31Å; N247-G250 PolarHBondContact O-N 3.16Å; N247-G250 PolarHBondContact OD1-N 2.81Å
251G62.3Low53Low27 Ų27120.8 Ų120.828%0.27864%0.641SS.*  trans-75.4146.8178.200000112.5N247 Q249 I253N247-G251 PolarHBondContact OD1-N 3.04Å; Q249-G251 VanDerWaalsContact C-N 3.27Å; Q249-G251 PolarHBondContact O-N 3.37Å; Q249-G251 VanDerWaalsContact O-N 3.16Å; G251-I253 PolarHBondContact O-N 2.88Å
252P50Low53.9Low118 Ų118121.2 Ų121.277%0.76663%0.631SS**  trans-62.6127.5164.328.8-32.8000108.6V254P252-V254 PolarHBondContact O-N 2.85Å; P252-V254 VanDerWaalsContact O-N 3.1Å
253I53.3Low54.8Low52 Ų52117.1 Ų117.127%0.26762%0.615SS.*  trans-75.8102.1177.6-57.8-165.1000108.6R245 N247 G251 E255R245-I253 HydrophobicContact CB-CD1 4.19Å; R245-I253 WeakPolarHBondContact O-CD1 3.1Å; N247-I253 HydrophobicContact CB-CD1 4.33Å; G251-I253 PolarHBondContact O-N 2.88Å; I253-E255 VanDerWaalsContact C-N 3.29Å; I253-E255 HydrophobicContact CG2-CB 3.61Å; I253-E255 HydrophobicContact CG2-CG 3.4Å; I253-E255 VanDerWaalsContact CG2-CG 3.4Å; I253-E255 WeakPolarHBondContact CG2-OE2 3.44Å; I253-E255 PolarHBondContact O-N 3.41Å
254V58.1Low56.5Low92 Ų92119 Ų11956%0.55861%0.611SS**  trans-93.963.4166.9-171.30000108P252P252-V254 PolarHBondContact O-N 2.85Å; P252-V254 VanDerWaalsContact O-N 3.1Å
255E57.3Low57.9Low158 Ų158118 Ų11874%0.73861%0.606SS**  trans-95.196.8171.3-77.2167.9-171.800108.1I253I253-E255 VanDerWaalsContact C-N 3.29Å; I253-E255 HydrophobicContact CG2-CB 3.61Å; I253-E255 HydrophobicContact CG2-CG 3.4Å; I253-E255 VanDerWaalsContact CG2-CG 3.4Å; I253-E255 WeakPolarHBondContact CG2-OE2 3.44Å; I253-E255 PolarHBondContact O-N 3.41Å
256E54.1Low59.2Low151 Ų151112.1 Ų112.171%0.70659%0.589SS**SBendtrans160.1-35.2136.4-86.5-174.3156.300112.1D258 E259E256-D258 VanDerWaalsContact C-N 3.33Å; E256-D258 PolarHBondContact O-N 2.8Å; E256-E259 WeakPolarHBondContact O-CB 3.41Å; E256-E259 PolarHBondContact O-N 2.85Å; E256-E259 VanDerWaalsContact O-N 3.08Å
257D50.7Low60.7Low127 Ų127114.5 Ų114.568%0.67959%0.591SS**Hα-helixtrans-64.8-33-179.2-88.3-32.5000113.6E259 N261D257-E259 VanDerWaalsContact C-N 3.33Å; D257-N261 PolarHBondContact O-N 3.48Å; D257-N261 PolarHBondContact O-ND2 2.74Å
258D53.9Low62.2Low107 Ų107113.5 Ų113.557%0.57259%0.588SS**Hα-helixtrans-76.1-17.6175.4-71.6-32.4000112.8E256 N261 R262E256-D258 VanDerWaalsContact C-N 3.33Å; E256-D258 PolarHBondContact O-N 2.8Å; D258-N261 CarbonylContact O-C 3.37Å; D258-R262 PolarHBondContact O-N 3.22Å; D258-R262 VanDerWaalsContact O-N 3.15Å
259E52.9Low64Low112 Ų112115 Ų11552%0.52357%0.569SS.*Hα-helixtrans-78.4-26.7178.7-168.4135.9-137.400111.7E256 D257 R262E256-E259 WeakPolarHBondContact O-CB 3.41Å; E256-E259 PolarHBondContact O-N 2.85Å; E256-E259 VanDerWaalsContact O-N 3.08Å; D257-E259 VanDerWaalsContact C-N 3.33Å; E259-R262 IonicContact OE1-CZ 3.45Å; E259-R262 VanDerWaalsContact OE1-CZ 3.24Å; E259-R262 IonicContact OE1-NH1 3.51Å; E259-R262 PolarHBondContact OE1-NH1 2.83Å; E259-R262 IonicContact OE1-NH2 2.77Å; E259-R262 PolarHBondContact OE1-NH2 3.41Å
260I51.7Low65.2Low144 Ų144109.3 Ų109.374%0.73855%0.549SS*.Hα-helixtrans-81.7-29.4172.7-67.5170.9000111.7
261N54.4Low66.5Low113 Ų113109.8 Ų109.860%0.60455%0.549SS*.THydrogen-bonded Turntrans-102.535.4173.6-62.9-86.9000112.4D257 D258 D263D257-N261 PolarHBondContact O-N 3.48Å; D257-N261 PolarHBondContact O-ND2 2.74Å; D258-N261 CarbonylContact O-C 3.37Å; N261-D263 PolarHBondContact O-N 2.73Å
262R61.7Low67.8Low158 Ų158110.9 Ų110.960%0.59656%0.556SS**  trans-64.291.4160.5-87.6-165-176.8117.69.3109.1D258 E259D258-R262 PolarHBondContact O-N 3.22Å; D258-R262 VanDerWaalsContact O-N 3.15Å; E259-R262 IonicContact OE1-CZ 3.45Å; E259-R262 VanDerWaalsContact OE1-CZ 3.24Å; E259-R262 IonicContact OE1-NH1 3.51Å; E259-R262 PolarHBondContact OE1-NH1 2.83Å; E259-R262 IonicContact OE1-NH2 2.77Å; E259-R262 PolarHBondContact OE1-NH2 3.41Å
263D68.3Low69.7Low92 Ų92108.6 Ų108.649%0.49254%0.54SS..  trans-50.9141.2-177.1-90.8-47.8000111.3N261 L265 D266 W267N261-D263 PolarHBondContact O-N 2.73Å; D263-L265 HydrophobicContact CB-CB 3.92Å; D263-L265 PolarHBondContact O-N 2.85Å; D263-D266 WeakPolarHBondContact O-CB 3.28Å; D263-D266 PolarHBondContact O-N 3.18Å; D263-W267 PolarHBondContact O-N 3.49Å; D263-W267 VanDerWaalsContact O-N 3.13Å
264W82.6Confident71.3Confident185 Ų185111.6 Ų111.670%0.70155%0.551SS**Hα-helixtrans-49-30.3163.464.2-80.4000111.4W267 T268W264-W267 PolarHBondContact O-N 2.76Å; W264-T268 HydrophobicContact CE3-CG2 4.48Å; W264-T268 WeakPolarHBondContact O-CG2 3.43Å; W264-T268 PolarHBondContact O-N 2.82Å; W264-T268 PolarHBondContact O-OG1 3.4Å
265L79.3Confident72.3Confident99 Ų99110.3 Ų110.352%0.51855%0.546SS..Hα-helixtrans-61.6-47.3172.9-164.183.4000111.9D263 T268 Y269D263-L265 HydrophobicContact CB-CB 3.92Å; D263-L265 PolarHBondContact O-N 2.85Å; L265-T268 WeakPolarHBondContact CA-OG1 3.44Å; L265-T268 CarbonylContact O-C 3.58Å; L265-T268 PolarHBondContact O-N 2.89Å; L265-T268 VanDerWaalsContact O-N 3.16Å; L265-T268 PolarHBondContact O-OG1 2.97Å; L265-Y269 VanDerWaalsContact O-CB 3.3Å; L265-Y269 WeakPolarHBondContact O-CB 3.4Å; L265-Y269 PolarHBondContact O-N 2.98Å
266D80.3Confident73.7Confident72 Ų72107 Ų10739%0.38554%0.536SS..Hα-helixtrans-66.3-37.1178.2-17749.8000111.7D263 Y269 S270D263-D266 WeakPolarHBondContact O-CB 3.28Å; D263-D266 PolarHBondContact O-N 3.18Å; D266-Y269 PolarHBondContact O-N 3.48Å; D266-S270 VanDerWaalsContact O-CB 3.22Å; D266-S270 WeakPolarHBondContact O-CB 3.37Å; D266-S270 PolarHBondContact O-N 2.88Å; D266-S270 PolarHBondContact O-OG 3.14Å
267W82.8Confident75.2Confident190 Ų190105.8 Ų105.872%0.7253%0.529SS*.Hα-helixtrans-60.7-46.2169.1-179.783.3000111.7D263 W264 Y269 A271D263-W267 PolarHBondContact O-N 3.49Å; D263-W267 VanDerWaalsContact O-N 3.13Å; W264-W267 PolarHBondContact O-N 2.76Å; W267-Y269 VanDerWaalsContact C-N 3.35Å; W267-Y269 PolarHBondContact O-N 3.45Å; W267-A271 VanDerWaalsContact O-CB 3.23Å; W267-A271 WeakPolarHBondContact O-CB 3.33Å; W267-A271 PolarHBondContact O-N 2.93Å
268T87.1Confident76.6Confident54 Ų54101.8 Ų101.833%0.33151%0.508SS..Hα-helixtrans-67.6-32.4175.859.50000113.3W264 L265 A272W264-T268 HydrophobicContact CE3-CG2 4.48Å; W264-T268 WeakPolarHBondContact O-CG2 3.43Å; W264-T268 PolarHBondContact O-N 2.82Å; W264-T268 PolarHBondContact O-OG1 3.4Å; L265-T268 WeakPolarHBondContact CA-OG1 3.44Å; L265-T268 CarbonylContact O-C 3.58Å; L265-T268 PolarHBondContact O-N 2.89Å; L265-T268 VanDerWaalsContact O-N 3.16Å; L265-T268 PolarHBondContact O-OG1 2.97Å; T268-A272 WeakPolarHBondContact O-CB 3.44Å; T268-A272 PolarHBondContact O-N 2.87Å
269Y87.2Confident77.6Confident153 Ų15399.2 Ų99.260%0.650%0.498SS*.Hα-helixtrans-71.3-44.7178.1175.2-106000110.8L265 D266 W267 A272 T273L265-Y269 VanDerWaalsContact O-CB 3.3Å; L265-Y269 WeakPolarHBondContact O-CB 3.4Å; L265-Y269 PolarHBondContact O-N 2.98Å; D266-Y269 PolarHBondContact O-N 3.48Å; W267-Y269 VanDerWaalsContact C-N 3.35Å; W267-Y269 PolarHBondContact O-N 3.45Å; Y269-A272 PolarHBondContact O-N 2.98Å; Y269-T273 WeakPolarHBondContact O-CB 3.49Å; Y269-T273 PolarHBondContact O-N 3.37Å; Y269-T273 PolarHBondContact O-OG1 3.01Å
270S83.9Confident79Confident61 Ų6198.1 Ų98.143%0.42749%0.494SS..Hα-helixtrans-60.2-46.7171.1-69.50000111.5D266 T273 F274D266-S270 VanDerWaalsContact O-CB 3.22Å; D266-S270 WeakPolarHBondContact O-CB 3.37Å; D266-S270 PolarHBondContact O-N 2.88Å; D266-S270 PolarHBondContact O-OG 3.14Å; S270-T273 PolarHBondContact O-N 2.88Å; S270-F274 VanDerWaalsContact O-CB 3.26Å; S270-F274 WeakPolarHBondContact O-CB 3.07Å; S270-F274 PolarHBondContact O-N 3.22Å
271A85.6Confident80.2Confident40 Ų4094.6 Ų94.633%0.33148%0.477SS..Hα-helixtrans-65.3-39.5176.900000112.8W267 S275W267-A271 VanDerWaalsContact O-CB 3.23Å; W267-A271 WeakPolarHBondContact O-CB 3.33Å; W267-A271 PolarHBondContact O-N 2.93Å; A271-S275 WeakPolarHBondContact O-CB 3.5Å; A271-S275 PolarHBondContact O-N 3.41Å
272A89.2Confident81.3Confident51 Ų5194 Ų9442%0.42147%0.467SS..Hα-helixtrans-68-42.4175.300000111.7T268 Y269 S275 V276T268-A272 WeakPolarHBondContact O-CB 3.44Å; T268-A272 PolarHBondContact O-N 2.87Å; Y269-A272 PolarHBondContact O-N 2.98Å; A272-S275 WeakPolarHBondContact O-CB 3.22Å; A272-S275 PolarHBondContact O-N 3Å; A272-V276 WeakPolarHBondContact O-CG2 3.46Å; A272-V276 PolarHBondContact O-N 3.37Å
273T88.3Confident81.8Confident70 Ų7094.4 Ų94.443%0.42947%0.473SS..Hα-helixtrans-64.8-43.4177.2-60.70000110.7Y269 S270 V276 F277Y269-T273 WeakPolarHBondContact O-CB 3.49Å; Y269-T273 PolarHBondContact O-N 3.37Å; Y269-T273 PolarHBondContact O-OG1 3.01Å; S270-T273 PolarHBondContact O-N 2.88Å; T273-V276 PolarHBondContact O-N 3.03Å; T273-F277 WeakPolarHBondContact O-CB 3.48Å; T273-F277 PolarHBondContact O-N 2.95Å
274F87.1Confident82.2Confident115 Ų11599.9 Ų99.950%0.50449%0.489SS..Hα-helixtrans-61-44.4171-176.5-100.1000111.5S270 V276 F277 L278 M294S270-F274 VanDerWaalsContact O-CB 3.26Å; S270-F274 WeakPolarHBondContact O-CB 3.07Å; S270-F274 PolarHBondContact O-N 3.22Å; F274-V276 PolarHBondContact O-N 3.15Å; F274-F277 PolarHBondContact O-N 3.02Å; F274-L278 HydrophobicContact CE1-CD1 4.29Å; F274-L278 HydrophobicContact CE1-CD2 4.4Å; F274-L278 HydrophobicContact CZ-CD1 4.19Å; F274-L278 WeakPolarHBondContact O-CB 3.36Å; F274-L278 PolarHBondContact O-N 3.03Å; F274-M294 HydrophobicContact CZ-CE 4.28Å
275S80.8Confident81.9Confident64 Ų6493.2 Ų93.245%0.44847%0.47SS..Hα-helixtrans-63-38.9177.3-174.10000113A271 A272 L278 S279A271-S275 WeakPolarHBondContact O-CB 3.5Å; A271-S275 PolarHBondContact O-N 3.41Å; A272-S275 WeakPolarHBondContact O-CB 3.22Å; A272-S275 PolarHBondContact O-N 3Å; S275-L278 PolarHBondContact O-N 3.28Å; S275-S279 VanDerWaalsContact O-CB 3.32Å; S275-S279 WeakPolarHBondContact O-CB 3.23Å; S275-S279 PolarHBondContact O-N 2.93Å; S275-S279 PolarHBondContact O-OG 3.17Å
276V85.3Confident81.7Confident88 Ų8890.8 Ų90.853%0.53346%0.461SS..Hα-helixtrans-68.8-44.8174.2170.20000110.9A272 T273 F274 L278 S279 I280A272-V276 WeakPolarHBondContact O-CG2 3.46Å; A272-V276 PolarHBondContact O-N 3.37Å; T273-V276 PolarHBondContact O-N 3.03Å; F274-V276 PolarHBondContact O-N 3.15Å; V276-L278 VanDerWaalsContact C-N 3.31Å; V276-L278 PolarHBondContact O-N 2.87Å; V276-S279 WeakPolarHBondContact O-CB 3.32Å; V276-S279 PolarHBondContact O-N 3.49Å; V276-I280 HydrophobicContact CG1-CD1 3.98Å; V276-I280 WeakPolarHBondContact O-CG1 3.13Å; V276-I280 PolarHBondContact O-N 2.91Å
277F85.7Confident81.5Confident126 Ų12691.9 Ų91.955%0.55347%0.467SS*.Hα-helixtrans-58.4-43.6173.2174.9-96.6000111.8T273 F274 S279 I280 L281T273-F277 WeakPolarHBondContact O-CB 3.48Å; T273-F277 PolarHBondContact O-N 2.95Å; F274-F277 PolarHBondContact O-N 3.02Å; F277-S279 VanDerWaalsContact C-N 3.34Å; F277-S279 PolarHBondContact O-N 2.89Å; F277-I280 PolarHBondContact O-N 3.44Å; F277-L281 HydrophobicContact CE1-CD2 4.37Å; F277-L281 WeakPolarHBondContact O-CB 3.22Å; F277-L281 PolarHBondContact O-N 3.15Å
278L80.1Confident81.1Confident44 Ų4486.9 Ų86.923%0.2346%0.461CS..Hα-helixtrans-64.1-38.8176.5-159.477.7000111.5F274 S275 V276 L281 Y282 F290 M294F274-L278 HydrophobicContact CE1-CD1 4.29Å; F274-L278 HydrophobicContact CE1-CD2 4.4Å; F274-L278 HydrophobicContact CZ-CD1 4.19Å; F274-L278 WeakPolarHBondContact O-CB 3.36Å; F274-L278 PolarHBondContact O-N 3.03Å; S275-L278 PolarHBondContact O-N 3.28Å; V276-L278 VanDerWaalsContact C-N 3.31Å; V276-L278 PolarHBondContact O-N 2.87Å; L278-L281 PolarHBondContact O-N 3.44Å; L278-Y282 VanDerWaalsContact O-CB 3.27Å; L278-Y282 WeakPolarHBondContact O-CB 3.33Å; L278-Y282 PolarHBondContact O-N 2.91Å; L278-F290 HydrophobicContact CD1-CE2 3.56Å; L278-F290 HydrophobicContact CD1-CZ 3.62Å; L278-F290 HydrophobicContact CD2-CZ 4.09Å; L278-F290 HydrophobicContact CG-CE2 3.82Å; L278-F290 HydrophobicContact CG-CZ 3.57Å; L278-M294 HydrophobicContact CD1-CE 3.77Å; L278-M294 HydrophobicContact CD1-CG 4.28Å; L278-M294 HydrophobicContact CD1-SD 3.67Å
279S76.3Confident80.7Confident53 Ų5392.8 Ų92.837%0.37148%0.477SS..Hα-helixtrans-66.9-40.1175-61.20000112S275 V276 F277 Y282 F283S275-S279 VanDerWaalsContact O-CB 3.32Å; S275-S279 WeakPolarHBondContact O-CB 3.23Å; S275-S279 PolarHBondContact O-N 2.93Å; S275-S279 PolarHBondContact O-OG 3.17Å; V276-S279 WeakPolarHBondContact O-CB 3.32Å; V276-S279 PolarHBondContact O-N 3.49Å; F277-S279 VanDerWaalsContact C-N 3.34Å; F277-S279 PolarHBondContact O-N 2.89Å; S279-Y282 WeakPolarHBondContact O-CB 3.35Å; S279-Y282 PolarHBondContact O-N 2.84Å; S279-F283 VanDerWaalsContact O-CD2 3.28Å; S279-F283 WeakPolarHBondContact O-CD2 3.28Å; S279-F283 PolarHBondContact O-N 3.35Å
280I81Confident80.5Confident88 Ų8886.6 Ų86.645%0.45145%0.453SS..Hα-helixtrans-64-48.8173-67.6163.3000109.6V276 F277 Y282 F283 Y284V276-I280 HydrophobicContact CG1-CD1 3.98Å; V276-I280 WeakPolarHBondContact O-CG1 3.13Å; V276-I280 PolarHBondContact O-N 2.91Å; F277-I280 PolarHBondContact O-N 3.44Å; I280-Y282 PolarHBondContact O-N 2.81Å; I280-F283 PolarHBondContact O-N 3.16Å; I280-F283 VanDerWaalsContact O-N 3.14Å; I280-Y284 HydrophobicContact CG2-CD2 3.96Å; I280-Y284 HydrophobicContact CG2-CE2 4.26Å; I280-Y284 WeakPolarHBondContact O-CD2 3.45Å; I280-Y284 PolarHBondContact O-N 2.83Å
281L78.2Confident80.4Confident71 Ų7188.4 Ų88.437%0.37246%0.458SS..Hα-helixtrans-61.6-30.2177.7-170.363000112.4F277 L278 S285 F290F277-L281 HydrophobicContact CE1-CD2 4.37Å; F277-L281 WeakPolarHBondContact O-CB 3.22Å; F277-L281 PolarHBondContact O-N 3.15Å; L278-L281 PolarHBondContact O-N 3.44Å; L281-S285 WeakPolarHBondContact O-CB 3.21Å; L281-S285 PolarHBondContact O-N 2.96Å; L281-F290 HydrophobicContact CB-CD2 4.46Å; L281-F290 HydrophobicContact CD2-CD2 4.19Å; L281-F290 HydrophobicContact CD2-CE2 4.26Å; L281-F290 HydrophobicContact CG-CD2 4.06Å; L281-F290 HydrophobicContact CG-CE2 4.43Å
282Y76.6Confident80.2Confident101 Ų10193.4 Ų93.440%0.39648%0.476SS..Hα-helixtrans-71.6-46.6171.2170.9-106.1000112.9L278 S279 I280 Y284 S285 L287 F290L278-Y282 VanDerWaalsContact O-CB 3.27Å; L278-Y282 WeakPolarHBondContact O-CB 3.33Å; L278-Y282 PolarHBondContact O-N 2.91Å; S279-Y282 WeakPolarHBondContact O-CB 3.35Å; S279-Y282 PolarHBondContact O-N 2.84Å; I280-Y282 PolarHBondContact O-N 2.81Å; Y282-Y284 VanDerWaalsContact C-N 3.31Å; Y282-Y284 PolarHBondContact O-N 2.82Å; Y282-S285 PolarHBondContact O-N 2.92Å; Y282-L287 HydrophobicContact CD2-CD1 4.23Å; Y282-L287 HydrophobicContact CE2-CB 3.96Å; Y282-L287 HydrophobicContact CE2-CD1 3.67Å; Y282-L287 HydrophobicContact CE2-CG 4.33Å; Y282-F290 HydrophobicContact CD2-CD1 4.14Å
283F72.6Confident79.9Confident166 Ų16695.1 Ų95.173%0.72848%0.481SS*.Hα-helixtrans-67.8-28.9179.2-88.8-69.7000113.5S279 I280S279-F283 VanDerWaalsContact O-CD2 3.28Å; S279-F283 WeakPolarHBondContact O-CD2 3.28Å; S279-F283 PolarHBondContact O-N 3.35Å; I280-F283 PolarHBondContact O-N 3.16Å; I280-F283 VanDerWaalsContact O-N 3.14Å
284Y76Confident79.7Confident207 Ų20794.2 Ų94.281%0.81247%0.472SS*.THydrogen-bonded Turntrans-95.68178.9-75.6-97.2000113.9I280 Y282I280-Y284 HydrophobicContact CG2-CD2 3.96Å; I280-Y284 HydrophobicContact CG2-CE2 4.26Å; I280-Y284 WeakPolarHBondContact O-CD2 3.45Å; I280-Y284 PolarHBondContact O-N 2.83Å; Y282-Y284 VanDerWaalsContact C-N 3.31Å; Y282-Y284 PolarHBondContact O-N 2.82Å
285S76.3Confident79.6Confident45 Ų4590.3 Ų90.332%0.31547%0.465SS..SBendtrans-135.9165.9177.6-166.80000111.1L281 Y282L281-S285 WeakPolarHBondContact O-CB 3.21Å; L281-S285 PolarHBondContact O-N 2.96Å; Y282-S285 PolarHBondContact O-N 2.92Å
286S76.4Confident79.7Confident47 Ų4790 Ų9033%0.32947%0.466SS..  trans-79.4139.2168.770.10000109.4S288 R289 F290S286-S288 PolarHBondContact O-N 3.28Å; S286-S288 PolarHBondContact OG-OG 3.12Å; S286-R289 PolarHBondContact O-N 2.85Å; S286-R289 WeakPolarHBondContact OG-CD 3.4Å; S286-R289 VanDerWaalsContact OG-CG 3.29Å; S286-R289 WeakPolarHBondContact OG-CG 3.4Å; S286-F290 PolarHBondContact O-N 3.32Å
287L74.8Confident79.6Confident95 Ų9589.8 Ų89.850%0.49747%0.465SS..Hα-helixtrans-43-43.4178.317560.6000112.7Y282 L291Y282-L287 HydrophobicContact CD2-CD1 4.23Å; Y282-L287 HydrophobicContact CE2-CB 3.96Å; Y282-L287 HydrophobicContact CE2-CD1 3.67Å; Y282-L287 HydrophobicContact CE2-CG 4.33Å; L287-L291 HydrophobicContact CD1-CD1 3.72Å; L287-L291 HydrophobicContact CD1-CG 3.96Å; L287-L291 HydrophobicContact CG-CD1 4.08Å; L287-L291 WeakPolarHBondContact O-CB 3.39Å; L287-L291 VanDerWaalsContact O-CG 3.29Å; L287-L291 WeakPolarHBondContact O-CG 3.3Å; L287-L291 PolarHBondContact O-N 2.76Å
288S75.3Confident79.6Confident86 Ų8687.4 Ų87.460%0.60146%0.461SS*.Hα-helixtrans-61.4-45.4176.350.10000114.5S286 M292S286-S288 PolarHBondContact O-N 3.28Å; S286-S288 PolarHBondContact OG-OG 3.12Å; S288-M292 VanDerWaalsContact O-CB 3.31Å; S288-M292 WeakPolarHBondContact O-CB 3.45Å; S288-M292 PolarHBondContact O-N 3.45Å
289R78.4Confident79.9Confident177 Ų17789.5 Ų89.567%0.66848%0.475SS*.Hα-helixtrans-72-42.1179.3-71.9173.2-178.4168.90.6111S286 M292 V293S286-R289 PolarHBondContact O-N 2.85Å; S286-R289 WeakPolarHBondContact OG-CD 3.4Å; S286-R289 VanDerWaalsContact OG-CG 3.29Å; S286-R289 WeakPolarHBondContact OG-CG 3.4Å; R289-M292 PolarHBondContact O-N 3.18Å; R289-V293 WeakPolarHBondContact O-CG2 3.32Å; R289-V293 PolarHBondContact O-N 3.46Å
290F82.8Confident80.2Confident23 Ų2393.8 Ų93.810%0.10149%0.491CS..Hα-helixtrans-57.9-51.9174165.4-101.4000111.7L278 L281 Y282 S286 M292 V293 M294L278-F290 HydrophobicContact CD1-CE2 3.56Å; L278-F290 HydrophobicContact CD1-CZ 3.62Å; L278-F290 HydrophobicContact CD2-CZ 4.09Å; L278-F290 HydrophobicContact CG-CE2 3.82Å; L278-F290 HydrophobicContact CG-CZ 3.57Å; L281-F290 HydrophobicContact CB-CD2 4.46Å; L281-F290 HydrophobicContact CD2-CD2 4.19Å; L281-F290 HydrophobicContact CD2-CE2 4.26Å; L281-F290 HydrophobicContact CG-CD2 4.06Å; L281-F290 HydrophobicContact CG-CE2 4.43Å; Y282-F290 HydrophobicContact CD2-CD1 4.14Å; S286-F290 PolarHBondContact O-N 3.32Å; F290-M292 PolarHBondContact O-N 3.07Å; F290-V293 PolarHBondContact O-N 3.46Å; F290-M294 HydrophobicContact CD2-CG 4.05Å; F290-M294 HydrophobicContact CE1-CG 4.38Å; F290-M294 HydrophobicContact CE2-CG 3.5Å; F290-M294 HydrophobicContact CE2-SD 4.28Å; F290-M294 HydrophobicContact CZ-CG 3.68Å; F290-M294 WeakPolarHBondContact O-CB 3.49Å; F290-M294 WeakPolarHBondContact O-CG 3.4Å; F290-M294 PolarHBondContact O-N 2.87Å
291L82.1Confident80.4Confident100 Ų10097.1 Ų97.152%0.52450%0.499SS..Hα-helixtrans-64.4-37.4177.9-72.9177.2000112.7L287 G295L287-L291 HydrophobicContact CD1-CD1 3.72Å; L287-L291 HydrophobicContact CD1-CG 3.96Å; L287-L291 HydrophobicContact CG-CD1 4.08Å; L287-L291 WeakPolarHBondContact O-CB 3.39Å; L287-L291 VanDerWaalsContact O-CG 3.29Å; L287-L291 WeakPolarHBondContact O-CG 3.3Å; L287-L291 PolarHBondContact O-N 2.76Å; L291-G295 PolarHBondContact O-N 3.38Å
292M81.3Confident80.7Confident144 Ų14496.1 Ų96.171%0.70949%0.494SS*.Hα-helixtrans-61.7-48174.7179.9-172.3169.400111.6S288 R289 F290 G295 A296S288-M292 VanDerWaalsContact O-CB 3.31Å; S288-M292 WeakPolarHBondContact O-CB 3.45Å; S288-M292 PolarHBondContact O-N 3.45Å; R289-M292 PolarHBondContact O-N 3.18Å; F290-M292 PolarHBondContact O-N 3.07Å; M292-G295 PolarHBondContact O-N 2.96Å; M292-A296 VanDerWaalsContact O-CB 3.32Å; M292-A296 WeakPolarHBondContact O-CB 3.32Å; M292-A296 PolarHBondContact O-N 2.81Å
293V82.9Confident80.9Confident87 Ų8797.8 Ų97.853%0.52751%0.505SS..Hα-helixtrans-66.9-47-179.3172.20000110.7R289 F290 G295 A296 T297R289-V293 WeakPolarHBondContact O-CG2 3.32Å; R289-V293 PolarHBondContact O-N 3.46Å; F290-V293 PolarHBondContact O-N 3.46Å; V293-G295 VanDerWaalsContact C-N 3.34Å; V293-G295 PolarHBondContact O-N 3.48Å; V293-A296 PolarHBondContact O-N 3.16Å; V293-T297 PolarHBondContact O-N 2.87Å; V293-T297 PolarHBondContact O-OG1 2.94Å; V293-T297 VanDerWaalsContact O-OG1 3.09Å
294M84.6Confident80.9Confident51 Ų5197.7 Ų97.725%0.25151%0.507SS..Hα-helixtrans-58.8-44.4175.2-75.2-59.5-6000112.1F274 L278 F290 T297 V298F274-M294 HydrophobicContact CZ-CE 4.28Å; L278-M294 HydrophobicContact CD1-CE 3.77Å; L278-M294 HydrophobicContact CD1-CG 4.28Å; L278-M294 HydrophobicContact CD1-SD 3.67Å; F290-M294 HydrophobicContact CD2-CG 4.05Å; F290-M294 HydrophobicContact CE1-CG 4.38Å; F290-M294 HydrophobicContact CE2-CG 3.5Å; F290-M294 HydrophobicContact CE2-SD 4.28Å; F290-M294 HydrophobicContact CZ-CG 3.68Å; F290-M294 WeakPolarHBondContact O-CB 3.49Å; F290-M294 WeakPolarHBondContact O-CG 3.4Å; F290-M294 PolarHBondContact O-N 2.87Å; M294-T297 PolarHBondContact O-N 2.85Å; M294-V298 WeakPolarHBondContact O-CB 3.42Å; M294-V298 VanDerWaalsContact O-CG2 3.28Å; M294-V298 WeakPolarHBondContact O-CG2 3.41Å; M294-V298 PolarHBondContact O-N 3.34Å
295G84.8Confident80.7Confident34 Ų3492.1 Ų92.135%0.35149%0.494SS..Hα-helixtrans-61.5-44175.800000112.5L291 M292 V293 V298 V299L291-G295 PolarHBondContact O-N 3.38Å; M292-G295 PolarHBondContact O-N 2.96Å; V293-G295 VanDerWaalsContact C-N 3.34Å; V293-G295 PolarHBondContact O-N 3.48Å; G295-V298 PolarHBondContact O-N 2.65Å; G295-V299 WeakPolarHBondContact O-CB 3.42Å; G295-V299 WeakPolarHBondContact O-CG2 3.3Å; G295-V299 PolarHBondContact O-N 2.92Å
296A82.6Confident80.1Confident57 Ų5792 Ų9247%0.47150%0.5SS..Hα-helixtrans-64.3-43.1176.500000112.2M292 V293 V299 M300M292-A296 VanDerWaalsContact O-CB 3.32Å; M292-A296 WeakPolarHBondContact O-CB 3.32Å; M292-A296 PolarHBondContact O-N 2.81Å; V293-A296 PolarHBondContact O-N 3.16Å; A296-V299 PolarHBondContact O-N 3.2Å; A296-M300 VanDerWaalsContact O-CB 3.29Å; A296-M300 WeakPolarHBondContact O-CB 3.43Å; A296-M300 PolarHBondContact O-N 3.37Å
297T83.9Confident79.5Confident84 Ų8499.1 Ų99.152%0.51552%0.52SS..Hα-helixtrans-63.2-41.6175-58.60000111.6V293 M294 M300 Y301V293-T297 PolarHBondContact O-N 2.87Å; V293-T297 PolarHBondContact O-OG1 2.94Å; V293-T297 VanDerWaalsContact O-OG1 3.09Å; M294-T297 PolarHBondContact O-N 2.85Å; T297-M300 PolarHBondContact O-N 3.02Å; T297-Y301 WeakPolarHBondContact O-CB 3.28Å; T297-Y301 PolarHBondContact O-N 3.13Å
298V85.8Confident78.5Confident75 Ų7599.8 Ų99.846%0.45552%0.519SS..Hα-helixtrans-64-46175168.20000111.1M294 G295 M300 Y301 L302M294-V298 WeakPolarHBondContact O-CB 3.42Å; M294-V298 VanDerWaalsContact O-CG2 3.28Å; M294-V298 WeakPolarHBondContact O-CG2 3.41Å; M294-V298 PolarHBondContact O-N 3.34Å; G295-V298 PolarHBondContact O-N 2.65Å; V298-M300 PolarHBondContact O-N 3.33Å; V298-Y301 PolarHBondContact O-N 2.85Å; V298-L302 HydrophobicContact CG1-CD1 3.79Å; V298-L302 WeakPolarHBondContact O-CB 3.29Å; V298-L302 WeakPolarHBondContact O-CD1 3.36Å; V298-L302 PolarHBondContact O-N 3.31Å
299V86.1Confident77.7Confident88 Ų88101 Ų10153%0.53352%0.524SS..Hα-helixtrans-62.3-41.5176.3169.30000111.7G295 A296 L302 H303G295-V299 WeakPolarHBondContact O-CB 3.42Å; G295-V299 WeakPolarHBondContact O-CG2 3.3Å; G295-V299 PolarHBondContact O-N 2.92Å; A296-V299 PolarHBondContact O-N 3.2Å; V299-L302 PolarHBondContact O-N 2.9Å; V299-H303 WeakPolarHBondContact O-CB 3.27Å; V299-H303 PolarHBondContact O-N 2.85Å
300M82.7Confident76.5Confident143 Ų143100.8 Ų100.870%0.70453%0.529SS*.Hα-helixtrans-64.2-39.4175.7-17517617900112A296 T297 V298 H303 H304A296-M300 VanDerWaalsContact O-CB 3.29Å; A296-M300 WeakPolarHBondContact O-CB 3.43Å; A296-M300 PolarHBondContact O-N 3.37Å; T297-M300 PolarHBondContact O-N 3.02Å; V298-M300 PolarHBondContact O-N 3.33Å; M300-H303 PolarHBondContact O-N 3.21Å; M300-H304 WeakPolarHBondContact O-CB 3.11Å; M300-H304 PolarHBondContact O-N 2.9Å
301Y84.9Confident75Confident159 Ų159110.2 Ų110.262%0.62456%0.564SS**Hα-helixtrans-65.9-44.6173.6-179.1-103.2000111.9T297 V298 H303 H304 V305T297-Y301 WeakPolarHBondContact O-CB 3.28Å; T297-Y301 PolarHBondContact O-N 3.13Å; V298-Y301 PolarHBondContact O-N 2.85Å; Y301-H303 VanDerWaalsContact C-N 3.29Å; Y301-H303 PolarHBondContact O-N 2.97Å; Y301-H304 PolarHBondContact O-N 3.18Å; Y301-H304 VanDerWaalsContact O-N 3.11Å; Y301-V305 HydrophobicContact CD1-CG2 4.17Å; Y301-V305 HydrophobicContact CD2-CG2 4.31Å; Y301-V305 HydrophobicContact CE1-CG2 3.77Å; Y301-V305 HydrophobicContact CE2-CG2 3.93Å; Y301-V305 HydrophobicContact CG-CG2 4.42Å; Y301-V305 WeakPolarHBondContact O-CB 3.35Å; Y301-V305 WeakPolarHBondContact O-CG2 3.46Å; Y301-V305 PolarHBondContact O-N 3.1Å
302L84.9Confident73.6Confident50 Ų50111.1 Ų111.126%0.26258%0.576SS.*Hα-helixtrans-59.5-38.7174.7-96.270.9000112.7V298 V299 G306 W307V298-L302 HydrophobicContact CG1-CD1 3.79Å; V298-L302 WeakPolarHBondContact O-CB 3.29Å; V298-L302 WeakPolarHBondContact O-CD1 3.36Å; V298-L302 PolarHBondContact O-N 3.31Å; V299-L302 PolarHBondContact O-N 2.9Å; L302-G306 PolarHBondContact O-N 2.97Å; L302-G306 VanDerWaalsContact O-N 3.16Å; L302-W307 HydrophobicContact CD2-CE3 3.58Å; L302-W307 HydrophobicContact CD2-CZ3 3.75Å; L302-W307 HydrophobicContact CG-CE3 3.81Å; L302-W307 HydrophobicContact CG-CZ3 4.3Å; L302-W307 PolarHBondContact O-N 3.02Å
303H79.1Confident71.6Confident136 Ų136115.3 Ų115.363%0.6358%0.583SS**Hα-helixtrans-64.6-45172.8-178-90.7000111.5V299 M300 Y301 G306 F308V299-H303 WeakPolarHBondContact O-CB 3.27Å; V299-H303 PolarHBondContact O-N 2.85Å; M300-H303 PolarHBondContact O-N 3.21Å; Y301-H303 VanDerWaalsContact C-N 3.29Å; Y301-H303 PolarHBondContact O-N 2.97Å; H303-G306 PolarHBondContact O-N 3.03Å; H303-G306 VanDerWaalsContact O-N 3.12Å; H303-F308 HydrophobicContact CB-CE2 4.47Å
304H72.8Confident69.7Low164 Ų164118.2 Ų118.276%0.75960%0.595SS**Hα-helixtrans-68.6-32.6178.9-164.4-63.6000113.6M300 Y301M300-H304 WeakPolarHBondContact O-CB 3.11Å; M300-H304 PolarHBondContact O-N 2.9Å; Y301-H304 PolarHBondContact O-N 3.18Å; Y301-H304 VanDerWaalsContact O-N 3.11Å
305V72.9Confident67.6Low89 Ų89121.4 Ų121.454%0.53962%0.618SS.*Hα-helixtrans-76.1-13.8173173.50000111.7Y301Y301-V305 HydrophobicContact CD1-CG2 4.17Å; Y301-V305 HydrophobicContact CD2-CG2 4.31Å; Y301-V305 HydrophobicContact CE1-CG2 3.77Å; Y301-V305 HydrophobicContact CE2-CG2 3.93Å; Y301-V305 HydrophobicContact CG-CG2 4.42Å; Y301-V305 WeakPolarHBondContact O-CB 3.35Å; Y301-V305 WeakPolarHBondContact O-CG2 3.46Å; Y301-V305 PolarHBondContact O-N 3.1Å
306G62.8Low65.4Low44 Ų44126.2 Ų126.245%0.45463%0.631SS.*THydrogen-bonded Turntrans7426.5173.600000114.4L302 H303 F308L302-G306 PolarHBondContact O-N 2.97Å; L302-G306 VanDerWaalsContact O-N 3.16Å; H303-G306 PolarHBondContact O-N 3.03Å; H303-G306 VanDerWaalsContact O-N 3.12Å; G306-F308 PolarHBondContact O-N 3.4Å
307W64Low63.3Low195 Ų195130.5 Ų130.574%0.73965%0.646SS**  trans-69.4-13.8-179.6-173.918.7000113L302 P309L302-W307 HydrophobicContact CD2-CE3 3.58Å; L302-W307 HydrophobicContact CD2-CZ3 3.75Å; L302-W307 HydrophobicContact CG-CE3 3.81Å; L302-W307 HydrophobicContact CG-CZ3 4.3Å; L302-W307 PolarHBondContact O-N 3.02Å; W307-P309 VanDerWaalsContact O-CD 3.31Å; W307-P309 WeakPolarHBondContact O-CD 3.15Å
308F54.7Low61.1Low109 Ų109133.6 Ų133.648%0.47865%0.653SS.*  trans-68.7117.6170.4-70.2-76.2000110.7H303 G306 F310H303-F308 HydrophobicContact CB-CE2 4.47Å; G306-F308 PolarHBondContact O-N 3.4Å; F308-F310 PolarHBondContact O-N 3.4Å
309P56.8Low59Low111 Ų111135.1 Ų135.172%0.72166%0.664SS**  trans-71.5-0.7-177.431-36.7000113.4W307 R311W307-P309 VanDerWaalsContact O-CD 3.31Å; W307-P309 WeakPolarHBondContact O-CD 3.15Å; P309-R311 PolarHBondContact O-N 3.03Å
310F54.3Low56.7Low173 Ų173138.5 Ų138.576%0.75968%0.679SS**  trans-80.961177.4-55.9-69.3000111.9F308 P312F308-F310 PolarHBondContact O-N 3.4Å; F310-P312 WeakPolarHBondContact O-CD 3.48Å
311R50.2Low54.4Low222 Ų222138.9 Ų138.984%0.83868%0.684SS**  trans-79.9115.1146.3-68.3-168.9-176.7-153.31.2106.6P309 R313P309-R311 PolarHBondContact O-N 3.03Å; R311-R313 PolarHBondContact O-N 3.44Å; R311-R313 VanDerWaalsContact O-N 3.11Å
312P52.7Low52.2Low119 Ų119133.9 Ų133.977%0.77368%0.681SS**  trans-52.6123.3158.1-19.832.3000106.6F310 L314F310-P312 WeakPolarHBondContact O-CD 3.48Å; P312-L314 PolarHBondContact O-N 3.3Å
313R39.3Very low50.1Low231 Ų231137.4 Ų137.487%0.87271%0.707SS**  trans-69.587.5172-175.9-172.8-66.6-166.2-0.2106.3R311 V315R311-R313 PolarHBondContact O-N 3.44Å; R311-R313 VanDerWaalsContact O-N 3.11Å; R313-V315 PolarHBondContact O-N 2.89Å
314L43.1Very low48.5Very low148 Ų148137 Ų13778%0.77572%0.716SS**  trans-52.3117.1169.2-177.1143.1000106P312 Q316P312-L314 PolarHBondContact O-N 3.3Å; L314-Q316 PolarHBondContact O-N 3.4Å
315V42.3Very low47Very low119 Ų119134.3 Ų134.372%0.72171%0.713SS**  trans-70.691.7-176.1177.20000106.4R313 N317R313-V315 PolarHBondContact O-N 2.89Å; V315-N317 VanDerWaalsContact C-N 3.27Å; V315-N317 PolarHBondContact O-N 3.12Å
316Q37.4Very low45.3Very low135 Ų135137.6 Ų137.663%0.63173%0.728SS**  trans-6695.4171.8-172171.5500106.2L314 F318L314-Q316 PolarHBondContact O-N 3.4Å; Q316-F318 VanDerWaalsContact C-N 3.28Å; Q316-F318 HydrophobicContact CB-CD2 4.33Å; Q316-F318 HydrophobicContact CB-CE2 3.97Å; Q316-F318 VanDerWaalsContact CD-CZ 3.5Å; Q316-F318 HydrophobicContact CG-CD2 4.06Å; Q316-F318 HydrophobicContact CG-CE2 3.57Å; Q316-F318 HydrophobicContact CG-CZ 3.93Å; Q316-F318 WeakPolarHBondContact O-CD2 3.12Å; Q316-F318 PolarHBondContact O-N 2.97Å
317N38.6Very low44.3Very low146 Ų146141.6 Ų141.678%0.78174%0.743SS**  trans-75.283.3-171.4-161.932.2000108.8V315 P319V315-N317 VanDerWaalsContact C-N 3.27Å; V315-N317 PolarHBondContact O-N 3.12Å; N317-P319 WeakPolarHBondContact O-CD 3.41Å
318F38.1Very low43Very low150 Ų150138.2 Ų138.266%0.65874%0.744SS**  trans-69.2122.5176.8-77.6-83.7000109.7Q316Q316-F318 VanDerWaalsContact C-N 3.28Å; Q316-F318 HydrophobicContact CB-CD2 4.33Å; Q316-F318 HydrophobicContact CB-CE2 3.97Å; Q316-F318 VanDerWaalsContact CD-CZ 3.5Å; Q316-F318 HydrophobicContact CG-CD2 4.06Å; Q316-F318 HydrophobicContact CG-CE2 3.57Å; Q316-F318 HydrophobicContact CG-CZ 3.93Å; Q316-F318 WeakPolarHBondContact O-CD2 3.12Å; Q316-F318 PolarHBondContact O-N 2.97Å
319P42.3Very low42.3Very low107 Ų107139.9 Ų139.970%0.69576%0.757SS**  trans-59.1140.3163.5-20.133.8000110N317 D321N317-P319 WeakPolarHBondContact O-CD 3.41Å; P319-D321 PolarHBondContact O-N 3.31Å
320N36.3Very low41.1Very low159 Ų159143 Ų14385%0.8576%0.762SS**  trans-90.189.1-180175.680.4000110.2
321D34.9Very low40.2Very low151 Ų151142.1 Ų142.181%0.80777%0.766SS**  trans-86.9111.8173.2-75-43.9000111.3P319P319-D321 PolarHBondContact O-N 3.31Å
322G39.2Very low39.9Very low54 Ų54137.8 Ų137.856%0.55777%0.766SS**PPolyproline II helixtrans-79.4171.4164.500000112.2
323P40.9Very low39Very low124 Ų124138.5 Ų138.581%0.80576%0.764SS**PPolyproline II helixtrans-69.2145.3-176.129-35.2000112.7
324P44.1Very low38.6Very low126 Ų126134.9 Ų134.982%0.81876%0.762SS**PPolyproline II helixtrans-84.3148.2-176.234-35.9000113.1
325P42.8Very low38Very low109 Ų109133.9 Ų133.971%0.70876%0.757SS**  trans-122.3131152.833.7-21.5000113.3
326D35.7Very low37.6Very low157 Ų157134.8 Ų134.884%0.8476%0.757SS**  trans62128.1145.3-54.9-34.7000122.8
327V43.4Very low37.3Very low129 Ų129134.8 Ų134.878%0.78276%0.757SS**  trans-86112.9-179179.50000110.9
328V35.3Very low36.9Very low124 Ų124136 Ų13675%0.75276%0.758SS**  trans-97.5108.1167.7177.90000109.8Q330V328-Q330 HydrophobicContact CG1-CG 4.21Å
329N41Very low36.4Very low143 Ų143132 Ų13277%0.76576%0.759SS**  trans-82.5121.7166-67.2-90.8000108.9
330Q31.8Very low35.8Very low177 Ų177133.3 Ų133.383%0.82777%0.765SS**  trans-144.7144.1160.6-72.2-160.6-1200112.1V328V328-Q330 HydrophobicContact CG1-CG 4.21Å
331D35.3Very low35.5Very low155 Ų155132.7 Ų132.783%0.82976%0.762SS**  trans-75.4153.8-175.8-76.9-86.3000114.3N333D331-N333 PolarHBondContact O-N 3.14Å; D331-N333 VanDerWaalsContact O-N 3.08Å
332P43.9Very low36.5Very low130 Ų130130.2 Ų130.284%0.84475%0.754SS**SBendtrans-87.863.9-172.336.9-38.1000113.9
333N33.6Very low36.3Very low135 Ų135135.5 Ų135.572%0.72276%0.764SS**  trans-160.1103.5165.8-167.813.8000115.9D331D331-N333 PolarHBondContact O-N 3.14Å; D331-N333 VanDerWaalsContact O-N 3.08Å
334N30.7Very low35.9Very low155 Ų155135.1 Ų135.183%0.82976%0.76SS**  -161.8176.4127.6-129.7-31000113.8
335N30.3Very low35.6Very low126 Ų126137.8 Ų137.867%0.67476%0.761SS**  trans-110165.2-170.3-91.3-107.1000114.9
336L33Very low35.2Very low139 Ų139139.9 Ų139.973%0.72877%0.767SS**  trans80.7159149.8-108.467.3000121
337Q31Very low35.8Very low135 Ų135136.8 Ų136.863%0.63176%0.755SS**  trans63.2122-179.6-89.34171.100116
338E31.3Very low35.3Very low170 Ų170137.7 Ų137.779%0.79476%0.756SS**  87.712554.6-176-176.2137.400111.8
339G27.9Very low35.1Very low66 Ų66140.4 Ų140.468%0.6876%0.76SS**  cis178.7-169.5-3.400000112.5
340T28.5Very low34.8Very low135 Ų135141.1 Ų141.183%0.82876%0.763SS**  trans72.489.6156.3-500000119.8
341D30.3Very low36Very low146 Ų146137.7 Ų137.778%0.78176%0.756SS**  15.5162.6112-71.2-37.7000121.4
342P55.9Low36.5Very low99 Ų99136.5 Ų136.564%0.64376%0.757SS**  cis-143.6-157.9-27.738.8-17.8000113.4
343E34.8Very low36.1Very low166 Ų166136.1 Ų136.178%0.77675%0.747SS**  trans76.2155.4149.6-100.5-16874.100120.1
344T32.8Very low36.2Very low116 Ų116139.1 Ų139.171%0.71275%0.749SS**  cis-137.6160.32.1-41.20000111.4
345E38.1Very low36.3Very low181 Ų181139.7 Ų139.785%0.84675%0.752SS**  trans-80.4159170.5-59.7172.685.700113.6
346D34.3Very low36.7Very low154 Ų154139 Ų13982%0.82475%0.752SS**  -169.7133.6123.6-162.939000111.1
347P47.8Very low37.2Very low91 Ų91139.9 Ų139.959%0.59176%0.756SS**  trans-104.8158.1174.737.9-31.8000112.9
348N32.8Very low37.4Very low149 Ų149141.2 Ų141.280%0.79777%0.768SS**  trans168.3114.2143.4-96.6-60.6000112.9
349H31.2Very low37.5Very low180 Ų180136.1 Ų136.183%0.83376%0.761SS**  -179.4150.4115.3-117.4-85.7000113.7
350L35.8Very low37.7Very low158 Ų158141.2 Ų141.283%0.82777%0.767SS**  trans-122.4168.4168.9-87.7170.8000110.3
351P57Low38.2Very low106 Ų106143.9 Ų143.969%0.68877%0.77SS**  trans-103.2174.4-149.540.8-39.6000115.7
352P44.9Very low38.5Very low130 Ų130142.7 Ų142.784%0.84477%0.768SS**  trans-89.7170.7159.736.3-31.7000113.1
353D35.7Very low38.2Very low121 Ų121142.9 Ų142.965%0.64777%0.772SS**  trans-125.7165.2-166.9179.536.3000112.2
354R36.8Very low39.1Very low198 Ų198139.9 Ų139.975%0.74777%0.767SS**  trans54.2134.9161-87.3170.6169.889.9-3.3120.7
355D31.5Very low40.6Very low167 Ų167137.6 Ų137.689%0.89376%0.756SS**  -146.4148.7126.8-129.4-30.2000111.1
356V38.6Very low42.1Very low112 Ų112138 Ų13868%0.67976%0.755SS**  trans-152.5108.9-171177.20000112.5
357L44Very low43.6Very low157 Ų157137.5 Ų137.582%0.82275%0.75SS**  trans172.4131.8135.8-101.4157.4000112.8
358D34.5Very low44.6Very low163 Ų163136.4 Ų136.487%0.87274%0.744SS**  trans165.9146.3133.8-90.4-16.7000109.3
359G33.8Very low46.6Very low63 Ų63132.6 Ų132.665%0.64973%0.726SS**  cis176.4-0.1-1.900000115.3Q361G359-Q361 PolarHBondContact O-N 3.42Å
360E31.7Very low48.8Very low173 Ų173126.6 Ų126.681%0.80871%0.708SS**  trans-87.6102.6-167-168.779.7109.100113.6T362E360-T362 HydrophobicContact CG-CG2 4.33Å; E360-T362 PolarHBondContact O-N 2.84Å; E360-T362 VanDerWaalsContact O-N 3.11Å
361Q39.1Very low50.8Low191 Ų191126.2 Ų126.289%0.89370%0.696SS**  trans-82.177.7174-68.7-170.611.700112.5G359 S363G359-Q361 PolarHBondContact O-N 3.42Å; Q361-S363 PolarHBondContact O-N 2.89Å
362T37.7Very low52.2Low121 Ų121126.6 Ų126.674%0.74269%0.691SS**  trans-70.6124.9158.956.40000109.4E360E360-T362 HydrophobicContact CG-CG2 4.33Å; E360-T362 PolarHBondContact O-N 2.84Å; E360-T362 VanDerWaalsContact O-N 3.11Å
363S48.9Very low54.1Low104 Ų104124.7 Ų124.773%0.72768%0.677SS**  trans-58.5143-178.253.20000112Q361 S365Q361-S363 PolarHBondContact O-N 2.89Å; S363-S365 PolarHBondContact O-N 3.36Å
364P53.3Low56.2Low103 Ų103124.1 Ų124.167%0.66967%0.669SS**  trans-67.299.3-179.827.2-34000109.7F366P364-F366 PolarHBondContact O-N 3.09Å
365S65.9Low58.2Low68 Ų68120.4 Ų120.448%0.47666%0.658SS.*  trans-49.4140.2171.1172.20000109.9S363 M367 S368 T369S363-S365 PolarHBondContact O-N 3.36Å; S365-M367 PolarHBondContact O-N 3.2Å; S365-M367 PolarHBondContact OG-N 2.95Å; S365-S368 WeakPolarHBondContact O-CA 3.44Å; S365-S368 WeakPolarHBondContact O-CB 3.35Å; S365-S368 PolarHBondContact O-N 3.11Å; S365-T369 PolarHBondContact O-N 2.91Å; S365-T369 VanDerWaalsContact O-N 3.17Å
366F68.4Low60.4Low188 Ų188116.3 Ų116.383%0.82564%0.64SS**Hα-helixtrans-52.2-29.2175.5-73.7-86.7000112.5P364 A370P364-F366 PolarHBondContact O-N 3.09Å; F366-A370 WeakPolarHBondContact O-CB 3.09Å; F366-A370 PolarHBondContact O-N 3.47Å
367M65.4Low62.2Low145 Ų145116.9 Ų116.971%0.71463%0.633SS**Hα-helixtrans-64-39.9172.1-64.2-97.977.700112.8S365 W371S365-M367 PolarHBondContact O-N 3.2Å; S365-M367 PolarHBondContact OG-N 2.95Å; M367-W371 WeakPolarHBondContact O-CB 3.29Å; M367-W371 PolarHBondContact O-N 2.78Å
368S69.8Low63.5Low68 Ų68114.3 Ų114.348%0.47662%0.616SS.*Hα-helixtrans-68.7-44.4177.7-169.10000111.3S365 W371 L372S365-S368 WeakPolarHBondContact O-CA 3.44Å; S365-S368 WeakPolarHBondContact O-CB 3.35Å; S365-S368 PolarHBondContact O-N 3.11Å; S368-W371 PolarHBondContact O-N 2.94Å; S368-L372 WeakPolarHBondContact O-CB 3.15Å; S368-L372 PolarHBondContact O-N 3.38Å
369T75.1Confident65Low68 Ų68109.5 Ų109.542%0.41760%0.598SS.*Hα-helixtrans-64.2-43.2175.3-47.90000111.5S365 W371 L372 V373S365-T369 PolarHBondContact O-N 2.91Å; S365-T369 VanDerWaalsContact O-N 3.17Å; T369-W371 PolarHBondContact O-N 2.96Å; T369-L372 PolarHBondContact O-N 3.44Å; T369-V373 WeakPolarHBondContact O-CG2 3.44Å; T369-V373 PolarHBondContact O-N 2.88Å
370A75.9Confident66.5Low55 Ų55111.4 Ų111.446%0.45560%0.601SS.*Hα-helixtrans-64.4-37.8174.800000112.4F366 V373 F374F366-A370 WeakPolarHBondContact O-CB 3.09Å; F366-A370 PolarHBondContact O-N 3.47Å; A370-V373 PolarHBondContact O-N 2.7Å; A370-F374 VanDerWaalsContact O-CB 3.28Å; A370-F374 WeakPolarHBondContact O-CB 3.39Å; A370-F374 PolarHBondContact O-N 3.15Å
371W78.5Confident68Low150 Ų150108.1 Ų108.157%0.56859%0.589SS**Hα-helixtrans-66.9-37.7174.8-178.3-119.5000112.5M367 S368 T369 F374 K375M367-W371 WeakPolarHBondContact O-CB 3.29Å; M367-W371 PolarHBondContact O-N 2.78Å; S368-W371 PolarHBondContact O-N 2.94Å; T369-W371 PolarHBondContact O-N 2.96Å; W371-F374 HydrophobicContact CE3-CD1 4.2Å; W371-F374 HydrophobicContact CZ3-CD1 4.08Å; W371-F374 HydrophobicContact CZ3-CE1 4.24Å; W371-K375 WeakPolarHBondContact O-CB 3.41Å; W371-K375 PolarHBondContact O-N 3.02Å
372L86.2Confident69Low113 Ų113105.2 Ų105.259%0.59258%0.579SS**Hα-helixtrans-66-46.3173.7-172.765.2000111.2S368 T369 F374 K375 T376S368-L372 WeakPolarHBondContact O-CB 3.15Å; S368-L372 PolarHBondContact O-N 3.38Å; T369-L372 PolarHBondContact O-N 3.44Å; L372-F374 VanDerWaalsContact C-N 3.35Å; L372-F374 PolarHBondContact O-N 3.28Å; L372-K375 PolarHBondContact O-N 3.3Å; L372-T376 PolarHBondContact O-N 2.96Å; L372-T376 PolarHBondContact O-OG1 3.45Å
373V84.9Confident69.6Low90 Ų90105.2 Ų105.255%0.54558%0.581SS.*Hα-helixtrans-62.1-40.4175.2170.20000111.6T369 A370 T376 F377T369-V373 WeakPolarHBondContact O-CG2 3.44Å; T369-V373 PolarHBondContact O-N 2.88Å; A370-V373 PolarHBondContact O-N 2.7Å; V373-T376 PolarHBondContact O-N 3.09Å; V373-T376 PolarHBondContact O-OG1 3.49Å; V373-F377 WeakPolarHBondContact O-CB 3.27Å; V373-F377 PolarHBondContact O-N 3.04Å
374F80.2Confident69.8Low109 Ų109109.5 Ų109.548%0.47859%0.59SS.*Hα-helixtrans-60.3-46.8173.2-179.9-88.7000111A370 W371 L372 F377 F378A370-F374 VanDerWaalsContact O-CB 3.28Å; A370-F374 WeakPolarHBondContact O-CB 3.39Å; A370-F374 PolarHBondContact O-N 3.15Å; W371-F374 HydrophobicContact CE3-CD1 4.2Å; W371-F374 HydrophobicContact CZ3-CD1 4.08Å; W371-F374 HydrophobicContact CZ3-CE1 4.24Å; L372-F374 VanDerWaalsContact C-N 3.35Å; L372-F374 PolarHBondContact O-N 3.28Å; F374-F377 PolarHBondContact O-N 2.82Å; F374-F378 HydrophobicContact CD1-CD2 4.19Å; F374-F378 HydrophobicContact CD2-CD2 4.23Å; F374-F378 AromaticContact CD2-CE2 3.98Å; F374-F378 HydrophobicContact CD2-CE2 3.98Å; F374-F378 AromaticContact CE1-CD2 3.93Å; F374-F378 HydrophobicContact CE1-CD2 3.93Å; F374-F378 HydrophobicContact CE1-CE2 4.17Å; F374-F378 AromaticContact CE2-CD2 3.99Å; F374-F378 HydrophobicContact CE2-CD2 3.99Å; F374-F378 AromaticContact CE2-CE2 3.47Å; F374-F378 HydrophobicContact CE2-CE2 3.47Å; F374-F378 VanDerWaalsContact CE2-CE2 3.47Å; F374-F378 HydrophobicContact CE2-CZ 4.49Å; F374-F378 HydrophobicContact CG-CD2 4.33Å; F374-F378 AromaticContact CZ-CD2 3.83Å; F374-F378 HydrophobicContact CZ-CD2 3.83Å; F374-F378 AromaticContact CZ-CE2 3.57Å; F374-F378 HydrophobicContact CZ-CE2 3.57Å; F374-F378 HydrophobicContact CZ-CZ 4.49Å; F374-F378 WeakPolarHBondContact O-CD2 3.45Å; F374-F378 PolarHBondContact O-N 3.18Å; F374-F378 VanDerWaalsContact O-N 3.07Å
375K77.8Confident69.8Low120 Ų120107.6 Ų107.652%0.52259%0.588SS.*Hα-helixtrans-64-43.8177.1-82.3-167.5167.7-164.80113.3W371 L372 F378 A379W371-K375 WeakPolarHBondContact O-CB 3.41Å; W371-K375 PolarHBondContact O-N 3.02Å; L372-K375 PolarHBondContact O-N 3.3Å; K375-F378 PolarHBondContact O-N 3.35Å; K375-A379 WeakPolarHBondContact O-CB 3.31Å; K375-A379 PolarHBondContact O-N 3.18Å
376T77.9Confident68.9Low82 Ų82110.1 Ų110.150%0.50360%0.603SS.*Hα-helixtrans-71.1-32.4178.351.80000112.4L372 V373 A379 S380L372-T376 PolarHBondContact O-N 2.96Å; L372-T376 PolarHBondContact O-OG1 3.45Å; V373-T376 PolarHBondContact O-N 3.09Å; V373-T376 PolarHBondContact O-OG1 3.49Å; T376-A379 PolarHBondContact O-N 3.46Å; T376-S380 VanDerWaalsContact O-CB 3.31Å; T376-S380 WeakPolarHBondContact O-CB 3.23Å; T376-S380 PolarHBondContact O-N 3.47Å
377F76.4Confident68.1Low123 Ų123106.8 Ų106.854%0.53960%0.601SS.*Hα-helixtrans-60.7-49.3171.2179.7-96.8000111.6V373 F374 S380 L381V373-F377 WeakPolarHBondContact O-CB 3.27Å; V373-F377 PolarHBondContact O-N 3.04Å; F374-F377 PolarHBondContact O-N 2.82Å; F377-S380 PolarHBondContact O-N 3.06Å; F377-L381 HydrophobicContact CD1-CD1 4.13Å; F377-L381 HydrophobicContact CE1-CD1 3.69Å; F377-L381 HydrophobicContact CE1-CG 4.49Å; F377-L381 HydrophobicContact CZ-CD1 4.24Å; F377-L381 PolarHBondContact O-N 3.21Å
378F72.9Confident67Low104 Ų104104.9 Ų104.946%0.45661%0.608SS.*Hα-helixtrans-72.1-29.4177.6-81.8-79000113.8F374 K375 L381F374-F378 HydrophobicContact CD1-CD2 4.19Å; F374-F378 HydrophobicContact CD2-CD2 4.23Å; F374-F378 AromaticContact CD2-CE2 3.98Å; F374-F378 HydrophobicContact CD2-CE2 3.98Å; F374-F378 AromaticContact CE1-CD2 3.93Å; F374-F378 HydrophobicContact CE1-CD2 3.93Å; F374-F378 HydrophobicContact CE1-CE2 4.17Å; F374-F378 AromaticContact CE2-CD2 3.99Å; F374-F378 HydrophobicContact CE2-CD2 3.99Å; F374-F378 AromaticContact CE2-CE2 3.47Å; F374-F378 HydrophobicContact CE2-CE2 3.47Å; F374-F378 VanDerWaalsContact CE2-CE2 3.47Å; F374-F378 HydrophobicContact CE2-CZ 4.49Å; F374-F378 HydrophobicContact CG-CD2 4.33Å; F374-F378 AromaticContact CZ-CD2 3.83Å; F374-F378 HydrophobicContact CZ-CD2 3.83Å; F374-F378 AromaticContact CZ-CE2 3.57Å; F374-F378 HydrophobicContact CZ-CE2 3.57Å; F374-F378 HydrophobicContact CZ-CZ 4.49Å; F374-F378 WeakPolarHBondContact O-CD2 3.45Å; F374-F378 PolarHBondContact O-N 3.18Å; F374-F378 VanDerWaalsContact O-N 3.07Å; K375-F378 PolarHBondContact O-N 3.35Å; F378-L381 HydrophobicContact CD1-CD1 3.86Å; F378-L381 HydrophobicContact CE1-CD1 3.97Å; F378-L381 PolarHBondContact O-N 3.3Å
379A66.1Low65.9Low62 Ų62108.9 Ų108.951%0.51262%0.622SS.*Hα-helixtrans-64.1-40.5168.900000111.5K375 T376 L381 L382K375-A379 WeakPolarHBondContact O-CB 3.31Å; K375-A379 PolarHBondContact O-N 3.18Å; T376-A379 PolarHBondContact O-N 3.46Å; A379-L381 PolarHBondContact O-N 3.24Å; A379-L382 WeakPolarHBondContact O-CB 3.38Å; A379-L382 PolarHBondContact O-N 3.32Å; A379-L382 VanDerWaalsContact O-N 3.08Å
380S65.3Low64.3Low102 Ų102110.1 Ų110.171%0.71364%0.639SS**THydrogen-bonded Turntrans-69.3-12.1175.7-172.90000114.4T376 F377T376-S380 VanDerWaalsContact O-CB 3.31Å; T376-S380 WeakPolarHBondContact O-CB 3.23Å; T376-S380 PolarHBondContact O-N 3.47Å; F377-S380 PolarHBondContact O-N 3.06Å
381L62.6Low62.6Low104 Ų104118.2 Ų118.255%0.54568%0.675SS.*THydrogen-bonded Turntrans-87.2-6.8171.3-69.4174000112.9F377 F378 A379F377-L381 HydrophobicContact CD1-CD1 4.13Å; F377-L381 HydrophobicContact CE1-CD1 3.69Å; F377-L381 HydrophobicContact CE1-CG 4.49Å; F377-L381 HydrophobicContact CZ-CD1 4.24Å; F377-L381 PolarHBondContact O-N 3.21Å; F378-L381 HydrophobicContact CD1-CD1 3.86Å; F378-L381 HydrophobicContact CE1-CD1 3.97Å; F378-L381 PolarHBondContact O-N 3.3Å; A379-L381 PolarHBondContact O-N 3.24Å
382L60.4Low61.8Low130 Ų130116.7 Ų116.768%0.68168%0.68SS**SBendtrans-92.6112.9167.3-62.9171.4000107.9A379 E384A379-L382 WeakPolarHBondContact O-CB 3.38Å; A379-L382 PolarHBondContact O-N 3.32Å; A379-L382 VanDerWaalsContact O-N 3.08Å; L382-E384 PolarHBondContact O-N 2.8Å
383P49Very low60.5Low122 Ų122116.8 Ų116.879%0.79269%0.685SS**PPolyproline II helixtrans-65.6132176.627.3-33.3000109.9G385P383-G385 PolarHBondContact O-N 3.44Å
384E53.9Low59.1Low194 Ų194118.3 Ų118.391%0.90769%0.693SS**PPolyproline II helixtrans-60.5119.6175.5-66.2-172.3151.300109.9L382L382-E384 PolarHBondContact O-N 2.8Å
385G54.2Low57.9Low62 Ų62118.9 Ų118.964%0.63971%0.705SS**PPolyproline II helixtrans-65.3141.9170.900000110.1P383P383-G385 PolarHBondContact O-N 3.44Å
386P46.5Very low56.7Low122 Ų122118.8 Ų118.879%0.79272%0.717SS**PPolyproline II helixtrans-60.2143.8-176.625.4-34.5000111.2A388P386-A388 PolarHBondContact O-N 2.95Å
387P51.8Low55.2Low118 Ų118121.3 Ų121.377%0.76673%0.731SS**PPolyproline II helixtrans-62.2128.5-176.425.2-34.3000110.9I389P387-I389 PolarHBondContact O-N 3.08Å; P387-I389 VanDerWaalsContact O-N 3.14Å
388A40.9Very low53.7Low104 Ų104121.1 Ų121.186%0.8675%0.745SS**  trans-65113174.500000109.7P386 A390P386-A388 PolarHBondContact O-N 2.95Å; A388-A390 PolarHBondContact O-N 3.04Å
389I46.7Very low52.3Low153 Ų153122.5 Ų122.579%0.78577%0.767SS**  trans-73118.5179.5-48.3173.3000108.2P387P387-I389 PolarHBondContact O-N 3.08Å; P387-I389 VanDerWaalsContact O-N 3.14Å
390A42.8Very low51.1Low93 Ų93127.5 Ų127.577%0.76979%0.788SS**  trans-69.5138.417500000111.5A388A388-A390 PolarHBondContact O-N 3.04Å
391N39.3Very low49.8Very low226 Ų226129.8 Ų129.8100%1.20980%0.795SS**  trans-141.80159.3-71.9-92.1000107.5

Retrieved 391 of 391 residues in 53.7 ms (Link to these results)