A0A077ZL11_TRITR Loading...

Serine protease

AlphaFold DB , UniProt , Accession A0A077ZL11, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 353 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
1M51.9Low83.7Confident174 Ų17494.2 Ų94.286%0.85748%0.484SS*.  01380-79.8-64.1-153.500105.1R77M1-R77 PolarHBondContact N-O 3.27Å; M1-R77 VanDerWaalsContact N-O 3.14Å
2D69Low84.8Confident85 Ų8591 Ų9146%0.45546%0.464SS..  trans-64.1137.7173.8-75.83.1000108.2Q6 R8D2-Q6 PolarHBondContact OD1-OE1 3.18Å; D2-Q6 PolarHBondContact OD2-OE1 2.98Å; D2-R8 IonicContact OD2-NH2 2.79Å; D2-R8 PolarHBondContact OD2-NH2 3.4Å
3E76.5Confident85.8Confident79 Ų7986.8 Ų86.837%0.36944%0.443SS..  trans-72.3143.8175.8-67-177.9-178.300108.9T5 Q6 H307E3-T5 PolarHBondContact O-N 2.56Å; E3-Q6 WeakPolarHBondContact O-CB 3.18Å; E3-Q6 PolarHBondContact O-N 2.84Å; E3-H307 IonicContact OE2-CD2 3.48Å; E3-H307 IonicContact OE2-NE2 3.65Å
4A79.9Confident86.7Confident109 Ų10988.4 Ų88.490%0.90144%0.442SS*.THydrogen-bonded Turntrans-58.5-23.1-178.300000113.4Q6A4-Q6 VanDerWaalsContact C-N 3.34Å
5T85.1Confident87.4Confident40 Ų4085 Ų8525%0.24543%0.428CS..THydrogen-bonded Turntrans-86.5-1.1177.749.80000113.8E3 A42 H307E3-T5 PolarHBondContact O-N 2.56Å; T5-A42 HydrophobicContact CG2-CB 4.05Å; T5-H307 PolarHBondContact OG1-NE2 3.43Å
6Q87Confident88Confident81 Ų8185.1 Ų85.138%0.37942%0.422SS..  trans-65.5134.9-179.5-178.8174.3-11.100111.1D2 E3 A4D2-Q6 PolarHBondContact OD1-OE1 3.18Å; D2-Q6 PolarHBondContact OD2-OE1 2.98Å; E3-Q6 WeakPolarHBondContact O-CB 3.18Å; E3-Q6 PolarHBondContact O-N 2.84Å; A4-Q6 VanDerWaalsContact C-N 3.34Å
7K90.1Very high88.4Confident42 Ų4282.8 Ų82.818%0.18341%0.41CS..  trans-114.2139.9175.1-64.7174.5177.5-177.90110.3V9 V37 V175 Q176 P177K7-V9 HydrophobicContact CB-CG2 4.39Å; K7-V37 HydrophobicContact CD-CG1 3.51Å; K7-V175 HydrophobicContact CD-CG1 4.14Å; K7-V175 PolarHBondContact NZ-O 3.24Å; K7-V175 VanDerWaalsContact NZ-O 3.1Å; K7-Q176 WeakPolarHBondContact CE-O 3.35Å; K7-Q176 VanDerWaalsContact NZ-C 3.35Å; K7-P177 VanDerWaalsContact CE-N 3.28Å
8R92.5Very high88.7Confident167 Ų16785.6 Ų85.663%0.6343%0.426SS*.  trans-107.2117.6169.8-67-176.7179.8-171.31.7108.5D2D2-R8 IonicContact OD2-NH2 2.79Å; D2-R8 PolarHBondContact OD2-NH2 3.4Å
9V95.4Very high89.2Confident37 Ų3781.9 Ų81.922%0.22441%0.407CS..  trans-127.7130.9-179.5-169.90000108K7 L33 Q35 V37 V175K7-V9 HydrophobicContact CB-CG2 4.39Å; V9-L33 HydrophobicContact CG1-CB 3.96Å; V9-L33 HydrophobicContact CG1-CD1 4.41Å; V9-Q35 HydrophobicContact CG1-CB 4.41Å; V9-V37 HydrophobicContact CG2-CG2 3.91Å; V9-V175 HydrophobicContact CG2-CG2 4.35Å
10K96.4Very high89.5Confident156 Ų15680.8 Ų80.868%0.67840%0.402SS*.  trans-68.2152.1176.5-67.9-178.9-178.8173.60110.1L33 E34K10-L33 CarbonylContact O-C 3.48Å; K10-E34 HydrophobicContact CB-CB 4.16Å; K10-E34 WeakPolarHBondContact CB-OE2 3.16Å; K10-E34 WeakPolarHBondContact CD-OE2 3.01Å; K10-E34 WeakPolarHBondContact O-CB 3.38Å; K10-E34 PolarHBondContact O-N 3.25Å
11V97.1Very high89.6Confident66 Ų6680.2 Ų80.240%0.440%0.404SS..EExtended strand (participates in β ladder)trans-84.8129168.4173.40000107.8D13 Y14 L31V11-D13 WeakPolarHBondContact CG1-O 3.38Å; V11-Y14 HydrophobicContact CG1-CD1 4.49Å; V11-L31 HydrophobicContact CB-CD2 4.46Å; V11-L31 HydrophobicContact CG1-CB 4.44Å; V11-L31 HydrophobicContact CG1-CD2 3.65Å; V11-L31 HydrophobicContact CG2-CD2 4.01Å
12K97.3Very high91.6Very high56 Ų5681 Ų8124%0.24340%0.402CS..EExtended strand (participates in β ladder)trans-88.2-40.6177.2179.3169.8-165.9169.90112.3R32 E34 R169 P170 S172K12-R32 PolarHBondContact N-O 2.83Å; K12-E34 HydrophobicContact CB-CB 4.06Å; K12-R169 HydrophobicContact CG-CB 4.45Å; K12-R169 PolarHBondContact O-NH2 3.18Å; K12-P170 VanDerWaalsContact CD-O 3.3Å; K12-P170 WeakPolarHBondContact CD-O 3.47Å; K12-P170 WeakPolarHBondContact CE-O 3.4Å; K12-P170 PolarHBondContact NZ-O 2.7Å; K12-S172 PolarHBondContact NZ-OG 3.48Å; K12-S172 VanDerWaalsContact NZ-OG 3.14Å
13D97.8Very high92.8Very high36 Ų3679.6 Ų79.619%0.19340%0.397CS..EExtended strand (participates in β ladder)trans-154.9155.5-175.4-142.723000110.2V11 R32 L168 R169V11-D13 WeakPolarHBondContact CG1-O 3.38Å; D13-R32 HydrophobicContact CB-CB 4.38Å; D13-R32 PolarHBondContact N-O 3.33Å; D13-R32 PolarHBondContact O-N 3.02Å; D13-L168 HydrophobicContact CB-CB 4.31Å; D13-L168 HydrophobicContact CB-CD2 4.04Å; D13-R169 HydrophobicContact CB-CB 4.2Å; D13-R169 IonicContact OD1-CZ 2.73Å; D13-R169 IonicContact OD1-NE 3.22Å; D13-R169 PolarHBondContact OD1-NE 3.32Å; D13-R169 IonicContact OD1-NH2 3.21Å; D13-R169 PolarHBondContact OD1-NH2 2.84Å; D13-R169 PolarHBondContact OD2-N 2.95Å; D13-R169 IonicContact OD2-NE 3.12Å; D13-R169 PolarHBondContact OD2-NE 3.42Å
14Y97.4Very high93.6Very high109 Ų10977.4 Ų77.443%0.42739%0.387SS..EExtended strand (participates in β ladder)trans-154.7161.1178.770.9-92.3000112.3V11 L30 L31 L350V11-Y14 HydrophobicContact CG1-CD1 4.49Å; Y14-L30 VanDerWaalsContact CA-O 3.29Å; Y14-L30 WeakPolarHBondContact CA-O 3.18Å; Y14-L31 VanDerWaalsContact CB-CD2 3.46Å; Y14-L31 HydrophobicContact CG-CD2 4.18Å; Y14-L350 HydrophobicContact CD2-CB 4.3Å; Y14-L350 HydrophobicContact CD2-CD1 3.57Å; Y14-L350 HydrophobicContact CD2-CG 4.48Å; Y14-L350 HydrophobicContact CE2-CB 4.11Å; Y14-L350 HydrophobicContact CE2-CD1 4.22Å; Y14-L350 HydrophobicContact CG-CD1 4.09Å
15V97.8Very high94.4Very high38 Ų3874.1 Ų74.123%0.2335%0.354CS..EExtended strand (participates in β ladder)trans-152.5148.1175.564.90000109.7A29 L30 W160 R164 L168V15-A29 WeakPolarHBondContact O-CA 3.36Å; V15-L30 HydrophobicContact CG1-CB 4.29Å; V15-L30 PolarHBondContact N-O 3.42Å; V15-L30 PolarHBondContact O-N 3.45Å; V15-W160 HydrophobicContact CG1-CH2 4.16Å; V15-W160 HydrophobicContact CG1-CZ2 4.08Å; V15-W160 HydrophobicContact CG2-CZ2 4.3Å; V15-R164 HydrophobicContact CG1-CB 3.85Å; V15-R164 HydrophobicContact CG1-CG 4.24Å; V15-L168 HydrophobicContact CB-CD2 4.1Å; V15-L168 HydrophobicContact CG1-CD1 4.29Å; V15-L168 HydrophobicContact CG1-CD2 3.96Å; V15-L168 HydrophobicContact CG1-CG 4.31Å
16Y97.5Very high95Very high86 Ų8673.7 Ų73.734%0.33735%0.35SS..EExtended strand (participates in β ladder)trans-123.5156.7170.859.8-98000110.6F19 I28 A347Y16-F19 HydrophobicContact CD2-CB 3.97Å; Y16-F19 HydrophobicContact CE2-CB 4.38Å; Y16-I28 WeakPolarHBondContact CA-O 3.37Å; Y16-I28 WeakPolarHBondContact CB-O 3.45Å; Y16-A347 HydrophobicContact CD2-CB 4.34Å; Y16-A347 HydrophobicContact CG-CB 4.15Å
17H94.5Very high95.5Very high46 Ų4669.9 Ų69.921%0.21333%0.332CS..  trans-93.8105.8-175.7-171.763.9000110.6F19 N26 I28 Y157 W160H17-F19 WeakPolarHBondContact O-CA 3.36Å; H17-F19 PolarHBondContact O-N 3.14Å; H17-N26 HydrophobicContact CB-CB 4.49Å; H17-N26 WeakPolarHBondContact O-CB 3.04Å; H17-N26 VanDerWaalsContact O-O 3.08Å; H17-I28 HydrophobicContact CB-CG2 3.79Å; H17-I28 PolarHBondContact N-O 3.25Å; H17-I28 VanDerWaalsContact N-O 3.16Å; H17-Y157 AromaticContact CD2-CD1 3.99Å; H17-Y157 AromaticContact CD2-CE1 3.63Å; H17-W160 HydrophobicContact CB-CD2 3.94Å; H17-W160 HydrophobicContact CB-CE3 4.3Å; H17-W160 HydrophobicContact CB-CH2 3.99Å; H17-W160 HydrophobicContact CB-CZ2 3.58Å; H17-W160 HydrophobicContact CB-CZ3 4.31Å; H17-W160 AromaticContact CE1-CD1 3.72Å; H17-W160 AromaticContact CE1-NE1 3.97Å; H17-W160 AromaticContact CG-CE2 3.87Å; H17-W160 AromaticContact CG-NE1 3.79Å; H17-W160 AromaticContact ND1-CD1 3.15Å; H17-W160 AromaticContact ND1-CD2 3.97Å; H17-W160 AromaticContact ND1-CE2 3.57Å; H17-W160 AromaticContact ND1-CG 3.75Å; H17-W160 AromaticContact ND1-NE1 3.01Å; H17-W160 PolarHBondContact ND1-NE1 3.03Å
18L94.1Very high96Very high133 Ų13367.9 Ų67.970%0.69632%0.323SS*.SBendtrans34.546.4164.4-58.4179.7000115.2N20 N26L18-N20 PolarHBondContact O-N 3.17Å; L18-N26 PolarHBondContact O-ND2 3.38Å
19F96.8Very high96.2Very high17 Ų1760 Ų608%0.07529%0.293CS..  trans-69.9134.4-169.8173.2-117000109.8Y16 H17 T21 N24 E25 D27 A347 H348 E351Y16-F19 HydrophobicContact CD2-CB 3.97Å; Y16-F19 HydrophobicContact CE2-CB 4.38Å; H17-F19 WeakPolarHBondContact O-CA 3.36Å; H17-F19 PolarHBondContact O-N 3.14Å; F19-T21 HydrophobicContact CD1-CG2 4.38Å; F19-T21 HydrophobicContact CE1-CG2 4.08Å; F19-N24 HydrophobicContact CE2-CB 4.28Å; F19-E25 VanDerWaalsContact CD2-O 3.22Å; F19-E25 WeakPolarHBondContact CD2-O 3.25Å; F19-D27 HydrophobicContact CD2-CB 3.83Å; F19-D27 HydrophobicContact CE2-CB 3.57Å; F19-A347 HydrophobicContact CB-CB 3.51Å; F19-A347 HydrophobicContact CD1-CB 4Å; F19-A347 HydrophobicContact CD2-CB 3.91Å; F19-A347 HydrophobicContact CG-CB 3.53Å; F19-H348 HydrophobicContact CE1-CB 3.8Å; F19-H348 HydrophobicContact CZ-CB 3.73Å; F19-E351 WeakPolarHBondContact CD1-OE2 3.39Å; F19-E351 WeakPolarHBondContact CE1-OE2 3.01Å
20N95.5Very high96.4Very high58 Ų5858.2 Ų58.231%0.3128%0.283SS..  trans-105.6105.5-178.1-174.5-24.5000110.4L18 K22 T23 N24 E25L18-N20 PolarHBondContact O-N 3.17Å; N20-K22 PolarHBondContact O-N 3.41Å; N20-K22 WeakPolarHBondContact OD1-CB 3.24Å; N20-K22 PolarHBondContact OD1-N 3.49Å; N20-T23 VanDerWaalsContact CB-OG1 3.28Å; N20-T23 WeakPolarHBondContact CB-OG1 3.39Å; N20-T23 PolarHBondContact ND2-OG1 2.88Å; N20-T23 PolarHBondContact O-N 2Å; N20-T23 PolarHBondContact OD1-N 3.14Å; N20-N24 VanDerWaalsContact O-CA 3.25Å; N20-N24 WeakPolarHBondContact O-CA 3.08Å; N20-N24 PolarHBondContact O-N 3.27Å; N20-E25 HydrophobicContact CB-CB 4.45Å; N20-E25 PolarHBondContact N-O 2.91Å
21T92.6Very high96.5Very high70 Ų7051 Ų5143%0.42925%0.252SS..THydrogen-bonded Turntrans-60.8-17.6-178.652.20000115F19 E351F19-T21 HydrophobicContact CD1-CG2 4.38Å; F19-T21 HydrophobicContact CE1-CG2 4.08Å; T21-E351 WeakPolarHBondContact CG2-OE2 3.18Å
22K92.6Very high96.6Very high189 Ų18949.2 Ų49.282%0.82224%0.238SC*.THydrogen-bonded Turntrans-90.4-39.1178.8-63.9-179.2179.6178.60112.5N20N20-K22 PolarHBondContact O-N 3.41Å; N20-K22 WeakPolarHBondContact OD1-CB 3.24Å; N20-K22 PolarHBondContact OD1-N 3.49Å
23T94.1Very high96.6Very high56 Ų5647.2 Ų47.234%0.34423%0.229SC..THydrogen-bonded Turntrans-101.9-12.9-17660.20000113.4N20 E25N20-T23 VanDerWaalsContact CB-OG1 3.28Å; N20-T23 WeakPolarHBondContact CB-OG1 3.39Å; N20-T23 PolarHBondContact ND2-OG1 2.88Å; N20-T23 PolarHBondContact O-N 2Å; N20-T23 PolarHBondContact OD1-N 3.14Å; T23-E25 PolarHBondContact O-N 3.19Å; T23-E25 WeakPolarHBondContact OG1-CB 3.49Å; T23-E25 VanDerWaalsContact OG1-CG 3.32Å; T23-E25 WeakPolarHBondContact OG1-CG 3.46Å; T23-E25 PolarHBondContact OG1-N 3.39Å; T23-E25 PolarHBondContact OG1-OE2 2.79Å
24N94.6Very high96.6Very high33 Ų3349 Ų4918%0.17624%0.237CC..  trans56.219.5-167.4-55.9-59.1000114F19 N20 F138F19-N24 HydrophobicContact CE2-CB 4.28Å; N20-N24 VanDerWaalsContact O-CA 3.25Å; N20-N24 WeakPolarHBondContact O-CA 3.08Å; N20-N24 PolarHBondContact O-N 3.27Å; N24-F138 HydrophobicContact CB-CD1 3.54Å; N24-F138 HydrophobicContact CB-CE1 3.66Å; N24-F138 HydrophobicContact CB-CG 4.35Å
25E96.7Very high96.6Very high41 Ų4145.9 Ų45.919%0.19223%0.226CC..THydrogen-bonded Turntrans-69.7151172.5-69.3168.1142.100110.6F19 N20 T23 D27 N97 V100 M101F19-E25 VanDerWaalsContact CD2-O 3.22Å; F19-E25 WeakPolarHBondContact CD2-O 3.25Å; N20-E25 HydrophobicContact CB-CB 4.45Å; N20-E25 PolarHBondContact N-O 2.91Å; T23-E25 PolarHBondContact O-N 3.19Å; T23-E25 WeakPolarHBondContact OG1-CB 3.49Å; T23-E25 VanDerWaalsContact OG1-CG 3.32Å; T23-E25 WeakPolarHBondContact OG1-CG 3.46Å; T23-E25 PolarHBondContact OG1-N 3.39Å; T23-E25 PolarHBondContact OG1-OE2 2.79Å; E25-D27 VanDerWaalsContact C-N 3.3Å; E25-D27 PolarHBondContact O-N 3.39Å; E25-N97 HydrophobicContact CG-CB 4.43Å; E25-N97 WeakPolarHBondContact OE1-CB 3.05Å; E25-N97 PolarHBondContact OE1-ND2 3.14Å; E25-V100 HydrophobicContact CB-CG2 4.14Å; E25-V100 HydrophobicContact CG-CG2 3.91Å; E25-M101 HydrophobicContact CG-CE 4.23Å
26N97.4Very high96.5Very high30 Ų3044.4 Ų44.416%0.1622%0.218CC..THydrogen-bonded Turntrans59.436.7-178.5-45.7-48.8000114.1H17 L18 I28 Y157H17-N26 HydrophobicContact CB-CB 4.49Å; H17-N26 WeakPolarHBondContact O-CB 3.04Å; H17-N26 VanDerWaalsContact O-O 3.08Å; L18-N26 PolarHBondContact O-ND2 3.38Å; N26-I28 PolarHBondContact O-N 3.36Å; N26-Y157 VanDerWaalsContact CA-OH 3.29Å; N26-Y157 WeakPolarHBondContact CA-OH 3.43Å; N26-Y157 HydrophobicContact CB-CE1 4.44Å; N26-Y157 PolarHBondContact OD1-OH 2.06Å; N26-Y157 VanDerWaalsContact OD1-OH 3.11Å
27D98.2Very high96.3Very high2 Ų240.7 Ų40.71%0.01120%0.204CC..  trans-76.262.1179.5-163.915.5000113F19 E25 S137 A152 A346 A347 H348F19-D27 HydrophobicContact CD2-CB 3.83Å; F19-D27 HydrophobicContact CE2-CB 3.57Å; E25-D27 VanDerWaalsContact C-N 3.3Å; E25-D27 PolarHBondContact O-N 3.39Å; D27-S137 WeakPolarHBondContact CB-OG 3.4Å; D27-S137 WeakPolarHBondContact OD2-CA 3.32Å; D27-S137 VanDerWaalsContact OD2-CB 3.23Å; D27-S137 WeakPolarHBondContact OD2-CB 3.28Å; D27-S137 PolarHBondContact OD2-OG 3.26Å; D27-A152 HydrophobicContact CB-CB 4.41Å; D27-A152 WeakPolarHBondContact O-CB 3.45Å; D27-A346 WeakPolarHBondContact OD1-CB 3.04Å; D27-A347 WeakPolarHBondContact OD1-CA 3.48Å; D27-A347 PolarHBondContact OD1-N 3.19Å; D27-H348 VanDerWaalsContact CG-ND1 3.31Å; D27-H348 IonicContact OD1-CG 2.89Å; D27-H348 PolarHBondContact OD1-N 3.26Å; D27-H348 IonicContact OD1-ND1 2.84Å; D27-H348 PolarHBondContact OD1-ND1 3.32Å; D27-H348 VanDerWaalsContact OD1-ND1 3.14Å; D27-H348 IonicContact OD2-CE1 3.36Å; D27-H348 PolarHBondContact OD2-CE1 2.77Å; D27-H348 IonicContact OD2-CG 2.86Å; D27-H348 IonicContact OD2-ND1 3.55Å; D27-H348 PolarHBondContact OD2-ND1 2.62Å
28I98.6Very high96.2Very high0 Ų040.1 Ų40.10%020%0.202CC..  trans-139.6136.5-175.1-167.1167.3000111.2Y16 H17 N26 Y157 W160 L161 L344Y16-I28 WeakPolarHBondContact CA-O 3.37Å; Y16-I28 WeakPolarHBondContact CB-O 3.45Å; H17-I28 HydrophobicContact CB-CG2 3.79Å; H17-I28 PolarHBondContact N-O 3.25Å; H17-I28 VanDerWaalsContact N-O 3.16Å; N26-I28 PolarHBondContact O-N 3.36Å; I28-Y157 HydrophobicContact CD1-CD2 3.6Å; I28-Y157 HydrophobicContact CD1-CE2 4.42Å; I28-Y157 HydrophobicContact CD1-CG 3.71Å; I28-Y157 HydrophobicContact CG2-CD1 3.78Å; I28-Y157 HydrophobicContact CG2-CD2 4.17Å; I28-Y157 HydrophobicContact CG2-CE1 3.89Å; I28-Y157 HydrophobicContact CG2-CE2 4.28Å; I28-Y157 HydrophobicContact CG2-CG 3.92Å; I28-W160 HydrophobicContact CG1-CZ3 4.48Å; I28-W160 HydrophobicContact CG2-CZ3 4.22Å; I28-L161 HydrophobicContact CD1-CD1 4.41Å; I28-L161 HydrophobicContact CD1-CD2 4.36Å; I28-L344 HydrophobicContact CD1-CD1 3.81Å; I28-L344 HydrophobicContact CG1-CD1 3.56Å
29A98.6Very high96.2Very high0 Ų034 Ų340%017%0.17CC..EExtended strand (participates in β ladder)trans-139.7146.8178.400000112.4V15 L344 T345 L350V15-A29 WeakPolarHBondContact O-CA 3.36Å; A29-L344 WeakPolarHBondContact O-CD1 3.41Å; A29-T345 HydrophobicContact CB-CG2 4.01Å; A29-T345 PolarHBondContact N-O 3Å; A29-T345 PolarHBondContact O-N 3.04Å; A29-L350 HydrophobicContact CB-CD1 3.5Å; A29-L350 VanDerWaalsContact CB-CD1 3.5Å; A29-L350 HydrophobicContact CB-CG 4.32Å
30L98.7Very high95.9Very high1 Ų133.3 Ų33.31%0.00517%0.167CC..EExtended strand (participates in β ladder)trans-114.4124.3175-174.864.8000109.5Y14 V15 W160 L161 R164 A165 L168 I332 L342Y14-L30 VanDerWaalsContact CA-O 3.29Å; Y14-L30 WeakPolarHBondContact CA-O 3.18Å; V15-L30 HydrophobicContact CG1-CB 4.29Å; V15-L30 PolarHBondContact N-O 3.42Å; V15-L30 PolarHBondContact O-N 3.45Å; L30-W160 HydrophobicContact CB-CH2 4.37Å; L30-W160 HydrophobicContact CB-CZ3 4.36Å; L30-L161 HydrophobicContact CB-CD2 4.11Å; L30-L161 HydrophobicContact CD1-CD2 4.15Å; L30-L161 HydrophobicContact CG-CD2 4.5Å; L30-R164 HydrophobicContact CD2-CB 4.4Å; L30-A165 HydrophobicContact CD2-CB 3.85Å; L30-L168 HydrophobicContact CB-CD1 4.5Å; L30-L168 HydrophobicContact CD2-CD1 3.98Å; L30-L168 HydrophobicContact CG-CD1 3.99Å; L30-I332 HydrophobicContact CD1-CD1 3.77Å; L30-L342 HydrophobicContact CD1-CB 4.21Å; L30-L342 HydrophobicContact CD1-CD2 4.03Å; L30-L342 HydrophobicContact CD1-CG 4.49Å; L30-L342 HydrophobicContact CD2-CD2 4.29Å; L30-L342 HydrophobicContact CG-CD2 4.22Å
31L98.5Very high95.6Very high4 Ų432.8 Ų32.82%0.02117%0.165CC..EExtended strand (participates in β ladder)trans-107.3137.1175.8-66.3160.1000108.8V11 Y14 V315 L342 V343 T345 L350V11-L31 HydrophobicContact CB-CD2 4.46Å; V11-L31 HydrophobicContact CG1-CB 4.44Å; V11-L31 HydrophobicContact CG1-CD2 3.65Å; V11-L31 HydrophobicContact CG2-CD2 4.01Å; Y14-L31 VanDerWaalsContact CB-CD2 3.46Å; Y14-L31 HydrophobicContact CG-CD2 4.18Å; L31-V315 HydrophobicContact CD1-CG1 4.13Å; L31-V315 HydrophobicContact CD1-CG2 4Å; L31-L342 WeakPolarHBondContact O-CA 3.46Å; L31-V343 HydrophobicContact CB-CB 3.95Å; L31-V343 HydrophobicContact CB-CG1 4.48Å; L31-V343 HydrophobicContact CD1-CB 4.15Å; L31-V343 HydrophobicContact CD1-CG1 3.77Å; L31-V343 PolarHBondContact N-O 2.82Å; L31-V343 PolarHBondContact O-N 2.81Å; L31-T345 HydrophobicContact CD1-CG2 3.56Å; L31-T345 HydrophobicContact CG-CG2 4.18Å; L31-L350 HydrophobicContact CD2-CD1 3.82Å; L31-L350 HydrophobicContact CD2-CD2 4.05Å; L31-L350 HydrophobicContact CG-CD1 4.27Å
32R98.3Very high95.6Very high29 Ų2930.3 Ų30.311%0.10915%0.151CC..EExtended strand (participates in β ladder)trans-103.9124.7167.3179.370.766.2162.2-3.8109.1K12 D13 A165 L168 R169 S171 D341K12-R32 PolarHBondContact N-O 2.83Å; D13-R32 HydrophobicContact CB-CB 4.38Å; D13-R32 PolarHBondContact N-O 3.33Å; D13-R32 PolarHBondContact O-N 3.02Å; R32-A165 PolarHBondContact NH2-O 3Å; R32-L168 HydrophobicContact CB-CB 4.15Å; R32-L168 HydrophobicContact CB-CD1 3.97Å; R32-R169 WeakPolarHBondContact CG-O 3.31Å; R32-S171 WeakPolarHBondContact CD-OG 3.37Å; R32-D341 IonicContact CZ-OD1 2.61Å; R32-D341 IonicContact CZ-OD2 3.76Å; R32-D341 IonicContact NH1-OD1 2.97Å; R32-D341 PolarHBondContact NH1-OD1 2.82Å; R32-D341 IonicContact NH1-OD2 2.71Å; R32-D341 PolarHBondContact NH1-OD2 3.33Å
33L98.4Very high95.6Very high13 Ų1322 Ų227%0.06812%0.116CC..EExtended strand (participates in β ladder)trans-69.8152.8175-59.2-175.4000110.8V9 K10 Q35 V37 S171 L331 D341 V343V9-L33 HydrophobicContact CG1-CB 3.96Å; V9-L33 HydrophobicContact CG1-CD1 4.41Å; K10-L33 CarbonylContact O-C 3.48Å; L33-Q35 VanDerWaalsContact C-N 3.27Å; L33-Q35 WeakPolarHBondContact CB-O 3.32Å; L33-Q35 PolarHBondContact O-N 3.11Å; L33-V37 HydrophobicContact CD1-CG2 3.82Å; L33-S171 WeakPolarHBondContact O-CB 3.23Å; L33-S171 PolarHBondContact O-OG 3.08Å; L33-L331 HydrophobicContact CD1-CD2 4.22Å; L33-D341 PolarHBondContact N-O 3.13Å; L33-V343 HydrophobicContact CD1-CG2 4.44Å; L33-V343 HydrophobicContact CD2-CG2 3.97Å; L33-V343 HydrophobicContact CG-CG2 4.33Å
34E97.7Very high95.7Very high73 Ų7319.4 Ų19.434%0.34110%0.1SC..EExtended strand (participates in β ladder)trans-67.3-33.3175.2-174.7170.1-155.300112.4K10 K12 S172K10-E34 HydrophobicContact CB-CB 4.16Å; K10-E34 WeakPolarHBondContact CB-OE2 3.16Å; K10-E34 WeakPolarHBondContact CD-OE2 3.01Å; K10-E34 WeakPolarHBondContact O-CB 3.38Å; K10-E34 PolarHBondContact O-N 3.25Å; K12-E34 HydrophobicContact CB-CB 4.06Å; E34-S172 PolarHBondContact O-N 2.85Å
35Q96.8Very high95.9Very high44 Ų4417.9 Ų17.921%0.2069%0.092CC..EExtended strand (participates in β ladder)trans-134142.8176.9-55.8-176.230.200109.9V9 L33 S172 V175V9-Q35 HydrophobicContact CG1-CB 4.41Å; L33-Q35 VanDerWaalsContact C-N 3.27Å; L33-Q35 WeakPolarHBondContact CB-O 3.32Å; L33-Q35 PolarHBondContact O-N 3.11Å; Q35-S172 WeakPolarHBondContact CA-O 3.4Å; Q35-S172 WeakPolarHBondContact CB-O 3.49Å; Q35-S172 WeakPolarHBondContact CG-O 3.29Å; Q35-V175 HydrophobicContact CB-CG2 3.54Å; Q35-V175 HydrophobicContact CG-CG2 4.24Å
36A95.2Very high95.9Very high8 Ų815.9 Ų15.97%0.0668%0.083CC..EExtended strand (participates in β ladder)trans-69.9147.2177.800000110.6G173 T174 V175 D341A36-G173 PolarHBondContact N-O 3.44Å; A36-T174 HydrophobicContact CB-CG2 4.23Å; A36-T174 CarbonylContact O-C 3.58Å; A36-T174 WeakPolarHBondContact O-CA 3.39Å; A36-V175 PolarHBondContact O-N 2.9Å; A36-D341 HydrophobicContact CB-CB 3.83Å
37V93.9Very high96Very high7 Ų714.9 Ų14.94%0.0428%0.078CC..EExtended strand (participates in β ladder)trans-103.2122.4179.1-172.60000109.1K7 V9 L33 T43 S339 T340K7-V37 HydrophobicContact CD-CG1 3.51Å; V9-V37 HydrophobicContact CG2-CG2 3.91Å; L33-V37 HydrophobicContact CD1-CG2 3.82Å; V37-T43 HydrophobicContact CB-CG2 4.47Å; V37-T43 HydrophobicContact CG1-CG2 3.7Å; V37-S339 CarbonylContact O-C 3.4Å; V37-S339 WeakPolarHBondContact O-CA 2.83Å; V37-S339 VanDerWaalsContact O-CB 3.31Å; V37-S339 WeakPolarHBondContact O-CB 3.4Å; V37-T340 PolarHBondContact N-O 3.27Å; V37-T340 PolarHBondContact O-N 3.03Å
38M93.3Very high96Very high34 Ų3416.4 Ų16.417%0.1679%0.086CC..EExtended strand (participates in β ladder)trans-64.1138177.2-67.4-58.7-62.700111.6T174 V175 N338M38-T174 HydrophobicContact CG-CG2 4.45Å; M38-T174 HydrophobicContact SD-CG2 3.69Å; M38-V175 PolarHBondContact N-O 2.86Å; M38-N338 HydrophobicContact CE-CB 4.16Å; M38-N338 WeakPolarHBondContact CE-O 3.32Å
39H92.9Very high96Very high5 Ų516.7 Ų16.72%0.0239%0.088CC..PPolyproline II helixtrans-67.7141.7174.9-64.2166.1000111T43 I44 P45 F276 Q333 G337 N338 T340H39-T43 CarbonylContact C-O 3.55Å; H39-T43 WeakPolarHBondContact CA-O 3.28Å; H39-I44 HydrophobicContact CB-CG2 4.39Å; H39-P45 VanDerWaalsContact NE2-CD 3.28Å; H39-P45 WeakPolarHBondContact NE2-CD 3.18Å; H39-F276 HydrophobicContact CB-CB 3.84Å; H39-F276 HydrophobicContact CB-CD2 3.7Å; H39-F276 HydrophobicContact CB-CE2 4.41Å; H39-F276 HydrophobicContact CB-CG 3.82Å; H39-Q333 PolarHBondContact CE1-OE1 3.16Å; H39-G337 PolarHBondContact CE1-O 3.21Å; H39-G337 PolarHBondContact ND1-O 3.49Å; H39-N338 WeakPolarHBondContact CB-O 3.33Å; H39-N338 PolarHBondContact N-O 2.79Å; H39-T340 PolarHBondContact NE2-N 2.89Å
40S91.5Very high96Very high3 Ų324.3 Ų24.32%0.02112%0.121CC..BIsolated β-bridgetrans-154.7176.9179.769.60000109.2A42 T43 Q257 F276S40-A42 PolarHBondContact O-N 2.96Å; S40-A42 VanDerWaalsContact O-N 3.08Å; S40-A42 PolarHBondContact OG-N 2.88Å; S40-T43 PolarHBondContact N-O 2.85Å; S40-T43 CarbonylContact O-C 3.57Å; S40-T43 PolarHBondContact O-N 3.39Å; S40-T43 VanDerWaalsContact O-N 3.13Å; S40-T43 VanDerWaalsContact O-O 3.11Å; S40-T43 PolarHBondContact OG-N 2.92Å; S40-T43 VanDerWaalsContact OG-N 3.16Å; S40-Q257 WeakPolarHBondContact CA-O 3.39Å; S40-Q257 WeakPolarHBondContact CB-O 3.34Å; S40-F276 VanDerWaalsContact C-CE1 3.46Å
41N89.6Confident95.9Very high47 Ų4726.8 Ų26.825%0.25113%0.132SC..THydrogen-bonded Turntrans-59.1-21.6172.4-65.6-31.3000113.3N256 Q257 K274 A282N41-N256 PolarHBondContact ND2-O 3.02Å; N41-Q257 PolarHBondContact N-O 3.12Å; N41-K274 PolarHBondContact OD1-NZ 2.8Å; N41-A282 HydrophobicContact CB-CB 3.8Å; N41-A282 WeakPolarHBondContact OD1-CB 3.49Å
42A91.3Very high95.9Very high18 Ų1832.1 Ų32.115%0.14916%0.161CC..THydrogen-bonded Turntrans-103.7-4.6179.900000113.6T5 S40T5-A42 HydrophobicContact CG2-CB 4.05Å; S40-A42 PolarHBondContact O-N 2.96Å; S40-A42 VanDerWaalsContact O-N 3.08Å; S40-A42 PolarHBondContact OG-N 2.88Å
43T93.8Very high95.9Very high13 Ų1333.3 Ų33.38%0.0817%0.168CC..BIsolated β-bridgetrans-145.2107.1-177.8-51.70000110.3V37 H39 S40 P310 L331V37-T43 HydrophobicContact CB-CG2 4.47Å; V37-T43 HydrophobicContact CG1-CG2 3.7Å; H39-T43 CarbonylContact C-O 3.55Å; H39-T43 WeakPolarHBondContact CA-O 3.28Å; S40-T43 PolarHBondContact N-O 2.85Å; S40-T43 CarbonylContact O-C 3.57Å; S40-T43 PolarHBondContact O-N 3.39Å; S40-T43 VanDerWaalsContact O-N 3.13Å; S40-T43 VanDerWaalsContact O-O 3.11Å; S40-T43 PolarHBondContact OG-N 2.92Å; S40-T43 VanDerWaalsContact OG-N 3.16Å; T43-P310 WeakPolarHBondContact CA-O 3.34Å; T43-L331 HydrophobicContact CG2-CD1 3.49Å; T43-L331 VanDerWaalsContact CG2-CD1 3.49Å
44I95.7Very high95.8Very high3 Ų341 Ų412%0.01520%0.203CC..  trans-144.2153.4168.559.7164.2000108.3H39 F276 K280 P310 W311H39-I44 HydrophobicContact CB-CG2 4.39Å; I44-F276 HydrophobicContact CG2-CB 3.87Å; I44-F276 HydrophobicContact CG2-CD1 3.68Å; I44-F276 HydrophobicContact CG2-CG 4.05Å; I44-K280 VanDerWaalsContact CD1-O 3.22Å; I44-K280 WeakPolarHBondContact CD1-O 3.32Å; I44-P310 HydrophobicContact CD1-CG 3.9Å; I44-P310 HydrophobicContact CG1-CB 3.89Å; I44-P310 HydrophobicContact CG1-CG 3.3Å; I44-P310 PolarHBondContact N-O 2.99Å; I44-P310 CarbonylContact O-C 3.51Å; I44-W311 HydrophobicContact CD1-CZ3 4.47Å; I44-W311 HydrophobicContact CG1-CE3 4.41Å; I44-W311 WeakPolarHBondContact O-CA 3.48Å; I44-W311 VanDerWaalsContact O-CB 3.3Å; I44-W311 WeakPolarHBondContact O-CB 3.45Å; I44-W311 PolarHBondContact O-N 3.1Å
45P98Very high95.8Very high0 Ų039 Ų390%019%0.194CC..PPolyproline II helixtrans-73.8155.2175.128.5-33.7000111.6H39 C278 G279 L331 Q333H39-P45 VanDerWaalsContact NE2-CD 3.28Å; H39-P45 WeakPolarHBondContact NE2-CD 3.18Å; P45-C278 HydrophobicContact CG-CB 4.23Å; P45-C278 CarbonylContact O-C 3.58Å; P45-C278 WeakPolarHBondContact O-CA 3.47Å; P45-C278 WeakPolarHBondContact O-CB 3.41Å; P45-G279 PolarHBondContact O-N 3.11Å; P45-L331 CarbonylContact C-O 3.41Å; P45-L331 WeakPolarHBondContact CA-O 3.31Å; P45-L331 HydrophobicContact CB-CB 4.36Å; P45-L331 WeakPolarHBondContact CB-O 3.46Å; P45-Q333 HydrophobicContact CB-CB 4.07Å; P45-Q333 HydrophobicContact CB-CG 3.98Å; P45-Q333 HydrophobicContact CG-CB 3.8Å; P45-Q333 HydrophobicContact CG-CG 3.45Å; P45-Q333 VanDerWaalsContact CG-CG 3.45Å
46V98.6Very high95.8Very high0 Ų038.3 Ų38.30%019%0.194CC..BIsolated β-bridgetrans-76.3153.8163.868.70000109.3V123 Y130 Q132 W311 L331 I332V46-V123 HydrophobicContact CG2-CB 4.49Å; V46-V123 HydrophobicContact CG2-CG1 3.78Å; V46-Y130 VanDerWaalsContact CG2-O 3.26Å; V46-Y130 WeakPolarHBondContact CG2-O 3.15Å; V46-Q132 HydrophobicContact CG1-CB 3.8Å; V46-Q132 HydrophobicContact CG2-CB 4.02Å; V46-W311 HydrophobicContact CB-CB 4.02Å; V46-W311 HydrophobicContact CB-CD2 3.79Å; V46-W311 HydrophobicContact CB-CE3 4.18Å; V46-W311 HydrophobicContact CB-CG 3.7Å; V46-W311 HydrophobicContact CG1-CG 4.46Å; V46-W311 HydrophobicContact CG2-CD2 4.21Å; V46-W311 HydrophobicContact CG2-CG 4.49Å; V46-L331 PolarHBondContact N-O 3.16Å; V46-I332 HydrophobicContact CG1-CG2 3.95Å
47C98.4Very high95.8Very high9 Ų941.7 Ų41.76%0.06121%0.214CC..BIsolated β-bridgetrans-74.9143.7173.2-62.80000110.5Y130 V131 Q132 C278C47-Y130 WeakPolarHBondContact CB-O 3.4Å; C47-Y130 PolarHBondContact N-O 3.11Å; C47-Y130 VanDerWaalsContact N-O 3.11Å; C47-V131 HydrophobicContact CB-CG2 4.06Å; C47-V131 WeakPolarHBondContact O-CA 3.35Å; C47-Q132 PolarHBondContact O-N 2.83Å; C47-C278 WeakPolarHBondContact CA-SG 3.29Å; C47-C278 HydrophobicContact CB-CB 4.02Å; C47-C278 WeakPolarHBondContact CB-SG 3.17Å; C47-C278 WeakPolarHBondContact SG-CB 3.39Å; C47-C278 PolarHBondContact SG-O 3.37Å; C47-C278 CovalentContact SG-SG 2.06Å; C47-C278 PolarHBondContact SG-SG 2.91Å
48L98.6Very high95.9Very high33 Ų3343.2 Ų43.217%0.17323%0.231CC..PPolyproline II helixtrans-85.2147.5165.5-68.6173.1000109.7V154 L161 I332 L334 L344L48-V154 HydrophobicContact CD2-CG1 4.12Å; L48-L161 HydrophobicContact CD1-CD1 4.5Å; L48-L161 HydrophobicContact CD2-CD1 4.25Å; L48-I332 HydrophobicContact CD1-CB 4.47Å; L48-I332 HydrophobicContact CD1-CD1 4.14Å; L48-I332 HydrophobicContact CD2-CB 4.31Å; L48-I332 HydrophobicContact CD2-CD1 4.41Å; L48-I332 HydrophobicContact CD2-CG2 3.9Å; L48-I332 HydrophobicContact CG-CB 4.35Å; L48-I332 HydrophobicContact CG-CG2 4.39Å; L48-L334 HydrophobicContact CD1-CD2 3.64Å; L48-L344 HydrophobicContact CD2-CD2 4.17Å
49P98.5Very high95.9Very high6 Ų645.1 Ų45.14%0.03924%0.238CC..PPolyproline II helixtrans-68.5171.4169.730.6-34.2000110.1E53 V131 Q132 F133 V154 P155 V158P49-E53 HydrophobicContact CB-CB 4.16Å; P49-V131 HydrophobicContact CB-CG1 3.89Å; P49-V131 HydrophobicContact CG-CG1 4.49Å; P49-Q132 WeakPolarHBondContact CD-O 3.39Å; P49-F133 HydrophobicContact CB-CD1 4.4Å; P49-F133 HydrophobicContact CB-CE1 4.06Å; P49-F133 HydrophobicContact CB-CZ 4.36Å; P49-V154 HydrophobicContact CG-CB 4.46Å; P49-V154 HydrophobicContact CG-CG1 3.98Å; P49-P155 HydrophobicContact CB-CG 4.03Å; P49-P155 HydrophobicContact CG-CB 4.26Å; P49-P155 HydrophobicContact CG-CG 3.71Å; P49-V158 HydrophobicContact CG-CG2 4.1Å; P49-V158 WeakPolarHBondContact O-CG2 3.46Å
50K97.9Very high95.9Very high161 Ų16148.3 Ų48.370%0.726%0.258SS*.PPolyproline II helixtrans-70.8156.6167.2-60169.3-172.6168.60109.8N52 E53K50-N52 PolarHBondContact O-N 3.23Å; K50-E53 HydrophobicContact CB-CB 4.13Å; K50-E53 WeakPolarHBondContact CB-OE2 3.34Å; K50-E53 WeakPolarHBondContact CG-OE2 3.22Å; K50-E53 PolarHBondContact N-OE2 3.16Å; K50-E53 WeakPolarHBondContact O-CB 2.95Å; K50-E53 PolarHBondContact O-N 3.47Å; K50-E53 VanDerWaalsContact O-N 3.11Å
51Q98.2Very high96.2Very high53 Ų5348.1 Ų48.125%0.24826%0.257CS..THydrogen-bonded Turntrans-56.5128.7171.4178.463.537.100109.5E53 P155 A156 V158 D159Q51-E53 PolarHBondContact O-N 2.88Å; Q51-E53 VanDerWaalsContact O-N 3.17Å; Q51-P155 PolarHBondContact NE2-O 2.78Å; Q51-A156 PolarHBondContact NE2-O 3.07Å; Q51-A156 VanDerWaalsContact NE2-O 3.11Å; Q51-V158 HydrophobicContact CB-CB 4.29Å; Q51-V158 VanDerWaalsContact OE1-N 3.07Å; Q51-D159 HydrophobicContact CG-CB 4.5Å; Q51-D159 WeakPolarHBondContact CG-OD2 3.25Å
52N98Very high96.5Very high115 Ų11547.6 Ų47.662%0.61525%0.251SS*.THydrogen-bonded Turntrans54.327.4-178.3-55.5-31.7000114K50 E54 P155K50-N52 PolarHBondContact O-N 3.23Å; N52-E54 PolarHBondContact O-N 3.04Å; N52-P155 PolarHBondContact N-O 2.83Å
53E97.9Very high96.7Very high54 Ų5446.8 Ų46.825%0.25224%0.244SC..PPolyproline II helixtrans-59.1134.3169.9-168168.1144.300110.3P49 K50 Q51 F133 P155P49-E53 HydrophobicContact CB-CB 4.16Å; K50-E53 HydrophobicContact CB-CB 4.13Å; K50-E53 WeakPolarHBondContact CB-OE2 3.34Å; K50-E53 WeakPolarHBondContact CG-OE2 3.22Å; K50-E53 PolarHBondContact N-OE2 3.16Å; K50-E53 WeakPolarHBondContact O-CB 2.95Å; K50-E53 PolarHBondContact O-N 3.47Å; K50-E53 VanDerWaalsContact O-N 3.11Å; Q51-E53 PolarHBondContact O-N 2.88Å; Q51-E53 VanDerWaalsContact O-N 3.17Å; E53-F133 HydrophobicContact CG-CE1 4.32Å; E53-F133 WeakPolarHBondContact OE1-CZ 3.25Å; E53-P155 HydrophobicContact CB-CB 4.4Å; E53-P155 WeakPolarHBondContact O-CB 3.35Å
54E97Very high96.8Very high174 Ų17446.2 Ų46.281%0.81324%0.241SC*.PPolyproline II helixtrans-62.5141.4177.8-70.5-177.4177.100111.1N52N52-E54 PolarHBondContact O-N 3.04Å
55L97.2Very high96.7Very high31 Ų3146 Ų4616%0.16224%0.24CC..PPolyproline II helixtrans-64.9133173.7-71.2177.8000109.9V57 I86 F102 F133 H153L55-V57 HydrophobicContact CB-CG2 4.3Å; L55-V57 PolarHBondContact O-N 3.04Å; L55-I86 HydrophobicContact CB-CG2 4.19Å; L55-I86 HydrophobicContact CD1-CG2 4.4Å; L55-I86 HydrophobicContact CD2-CD1 4.45Å; L55-F102 HydrophobicContact CD1-CB 3.61Å; L55-F102 HydrophobicContact CD1-CD1 4.08Å; L55-F102 HydrophobicContact CD1-CD2 3.92Å; L55-F102 HydrophobicContact CD1-CG 3.61Å; L55-F102 HydrophobicContact CD2-CD1 4.29Å; L55-F102 HydrophobicContact CD2-CD2 4.47Å; L55-F102 HydrophobicContact CD2-CE1 4.21Å; L55-F102 HydrophobicContact CD2-CE2 4.41Å; L55-F102 HydrophobicContact CD2-CG 4.42Å; L55-F102 HydrophobicContact CD2-CZ 4.27Å; L55-F133 HydrophobicContact CD2-CB 4.28Å; L55-F133 HydrophobicContact CD2-CD1 3.92Å; L55-H153 WeakPolarHBondContact CD2-NE2 3.21Å; L55-H153 WeakPolarHBondContact CG-NE2 3.18Å
56P96.3Very high96.5Very high31 Ų3147.6 Ų47.620%0.20125%0.246CC..  trans-77.172.8173.931.6-33.9000110.1K59 I86 F133P56-K59 HydrophobicContact CB-CB 3.9Å; P56-K59 HydrophobicContact CB-CD 3.68Å; P56-K59 HydrophobicContact CB-CG 4.47Å; P56-K59 HydrophobicContact CG-CB 4.31Å; P56-K59 HydrophobicContact CG-CD 3.9Å; P56-K59 WeakPolarHBondContact O-CB 2.95Å; P56-K59 PolarHBondContact O-N 3.15Å; P56-I86 HydrophobicContact CG-CD1 3.99Å; P56-F133 HydrophobicContact CG-CD2 4.38Å; P56-F133 HydrophobicContact CG-CE1 4.41Å; P56-F133 HydrophobicContact CG-CE2 4.11Å; P56-F133 HydrophobicContact CG-CZ 4.13Å
57V96.5Very high95.9Very high78 Ų7847.6 Ų47.647%0.47325%0.246SC..THydrogen-bonded Turntrans-55.9138.3178.7177.40000110.3L55 K59 I86 D88L55-V57 HydrophobicContact CB-CG2 4.3Å; L55-V57 PolarHBondContact O-N 3.04Å; V57-K59 PolarHBondContact O-N 3.44Å; V57-I86 HydrophobicContact CG2-CG2 4.34Å; V57-D88 HydrophobicContact CG1-CB 4.19Å
58G94Very high95.3Very high39 Ų3947.4 Ų47.440%0.40225%0.245SC..THydrogen-bonded Turntrans81.3-8.6-175.500000114.3E85 I86G58-E85 VanDerWaalsContact C-CG 3.47Å; G58-E85 WeakPolarHBondContact CA-OE1 3.02Å; G58-E85 WeakPolarHBondContact O-CG 3.22Å; G58-I86 PolarHBondContact N-O 2.55Å
59K93.7Very high94.3Very high75 Ų7548.9 Ų48.933%0.32625%0.252SS..  trans-80.2137.2179.1-167177.9176.675.40110.8P56 V57 C61 E85 I86 C124 E125P56-K59 HydrophobicContact CB-CB 3.9Å; P56-K59 HydrophobicContact CB-CD 3.68Å; P56-K59 HydrophobicContact CB-CG 4.47Å; P56-K59 HydrophobicContact CG-CB 4.31Å; P56-K59 HydrophobicContact CG-CD 3.9Å; P56-K59 WeakPolarHBondContact O-CB 2.95Å; P56-K59 PolarHBondContact O-N 3.15Å; V57-K59 PolarHBondContact O-N 3.44Å; K59-C61 PolarHBondContact O-N 2.79Å; K59-E85 WeakPolarHBondContact O-CA 3.48Å; K59-I86 PolarHBondContact O-N 3.47Å; K59-I86 VanDerWaalsContact O-N 3.13Å; K59-C124 HydrophobicContact CD-CB 4.19Å; K59-E125 WeakPolarHBondContact CE-O 3.4Å; K59-E125 PolarHBondContact NZ-O 3.38Å
60V94.2Very high93.4Very high71 Ų7151.5 Ų51.543%0.4327%0.27SS..EExtended strand (participates in β ladder)trans-73.5123.2168.4-179.50000109.7D83V60-D83 HydrophobicContact CG1-CB 3.78Å
61C96.3Very high92.7Very high0 Ų047.9 Ų47.90%026%0.256CS..EExtended strand (participates in β ladder)trans-124.7172.9177.6-57.90000109.4K59 D83 V84 L122 V123 C124K59-C61 PolarHBondContact O-N 2.79Å; C61-D83 CarbonylContact O-C 3.52Å; C61-D83 VanDerWaalsContact O-CA 3.31Å; C61-D83 WeakPolarHBondContact O-CA 3.17Å; C61-V84 PolarHBondContact N-O 3.17Å; C61-V84 PolarHBondContact O-N 3.27Å; C61-L122 HydrophobicContact CB-CD2 3.73Å; C61-L122 HydrophobicContact CB-CG 4.18Å; C61-V123 CarbonylContact C-O 3.5Å; C61-V123 WeakPolarHBondContact CA-O 3.41Å; C61-V123 VanDerWaalsContact CB-O 3.31Å; C61-V123 WeakPolarHBondContact CB-O 3.21Å; C61-C124 HydrophobicContact CB-CB 4.05Å; C61-C124 WeakPolarHBondContact CB-SG 3.42Å; C61-C124 WeakPolarHBondContact SG-CB 3.43Å; C61-C124 CovalentContact SG-SG 2.03Å; C61-C124 PolarHBondContact SG-SG 3.13Å
62Y96.1Very high91.9Very high36 Ų3648.9 Ų48.914%0.14128%0.28CS..EExtended strand (participates in β ladder)trans-124.6132.5-174-56.2-82.4000110.9V82 D83 L122 V123 Y130Y62-V82 VanDerWaalsContact CA-O 3.3Å; Y62-V82 WeakPolarHBondContact CA-O 3.01Å; Y62-D83 HydrophobicContact CD1-CB 4.1Å; Y62-D83 HydrophobicContact CE1-CB 3.91Å; Y62-L122 CarbonylContact O-C 3.51Å; Y62-L122 WeakPolarHBondContact O-CA 3.39Å; Y62-V123 PolarHBondContact N-O 2.91Å; Y62-V123 PolarHBondContact O-N 3.43Å; Y62-Y130 AromaticContact CD2-CE1 3.87Å; Y62-Y130 HydrophobicContact CD2-CE1 3.87Å; Y62-Y130 HydrophobicContact CE2-CE1 4.06Å
63V96.3Very high91.4Very high0 Ų044.8 Ų44.80%027%0.265CS..EExtended strand (participates in β ladder)trans-112.9134.6173.4179.70000108.1Q81 V82 V84 P121 L122 V136 Y151V63-Q81 CarbonylContact O-C 3.52Å; V63-Q81 WeakPolarHBondContact O-CA 3.35Å; V63-V82 HydrophobicContact CB-CG1 3.99Å; V63-V82 PolarHBondContact N-O 3.02Å; V63-V82 PolarHBondContact O-N 3.47Å; V63-V84 HydrophobicContact CG2-CG2 3.63Å; V63-P121 WeakPolarHBondContact CA-O 3.31Å; V63-L122 HydrophobicContact CG2-CB 3.94Å; V63-L122 HydrophobicContact CG2-CD1 3.72Å; V63-L122 HydrophobicContact CG2-CG 3.85Å; V63-V136 HydrophobicContact CG1-CG2 3.61Å; V63-Y151 HydrophobicContact CG1-CE1 4.32Å; V63-Y151 HydrophobicContact CG2-CE1 3.75Å; V63-Y151 WeakPolarHBondContact CG2-OH 3.41Å
64S95.5Very high90.8Very high1 Ų146.9 Ų46.91%0.00729%0.286CS..EExtended strand (participates in β ladder)trans-135.4147.6-17554.30000113.7L80 L309 Q312S64-L80 WeakPolarHBondContact CA-O 3.3Å; S64-L80 VanDerWaalsContact CB-O 3.25Å; S64-L80 WeakPolarHBondContact CB-O 3.1Å; S64-L309 VanDerWaalsContact CB-CD1 3.5Å; S64-Q312 PolarHBondContact O-OE1 3Å; S64-Q312 PolarHBondContact OG-OE1 3.05Å
65G94.5Very high90.3Very high0 Ų042.4 Ų42.40%027%0.274CS..EExtended strand (participates in β ladder)trans174.4-172-178.700000114L80 D117G65-L80 PolarHBondContact N-O 3.11Å; G65-L80 PolarHBondContact O-N 3.17Å; G65-D117 VanDerWaalsContact C-OD1 3.3Å; G65-D117 VanDerWaalsContact CA-OD1 3.23Å; G65-D117 WeakPolarHBondContact CA-OD1 2.84Å
66W92.3Very high89.7Confident33 Ų3341.4 Ų41.413%0.12527%0.269CS..SBendtrans-11613.8179.5-62.1-87.1000112S75 S76 L79 D117 Q312 V313 R314W66-S75 VanDerWaalsContact O-CB 3.29Å; W66-S75 WeakPolarHBondContact O-CB 3.36Å; W66-S76 PolarHBondContact O-N 3.11Å; W66-S76 VanDerWaalsContact O-N 3.08Å; W66-L79 HydrophobicContact CD2-CD1 4.15Å; W66-L79 HydrophobicContact CE3-CD1 4.46Å; W66-L79 HydrophobicContact CH2-CD1 4.31Å; W66-L79 HydrophobicContact CZ2-CB 4.36Å; W66-L79 HydrophobicContact CZ2-CD1 3.95Å; W66-D117 PolarHBondContact N-OD1 2.87Å; W66-Q312 HydrophobicContact CH2-CG 3.45Å; W66-Q312 VanDerWaalsContact CH2-CG 3.45Å; W66-Q312 HydrophobicContact CZ2-CG 4.15Å; W66-Q312 HydrophobicContact CZ3-CG 3.83Å; W66-V313 WeakPolarHBondContact CZ3-O 3.46Å; W66-R314 HydrophobicContact CE3-CB 4.31Å; W66-R314 HydrophobicContact CE3-CG 4.43Å; W66-R314 HydrophobicContact CH2-CB 3.89Å; W66-R314 HydrophobicContact CZ3-CB 3.71Å; W66-R314 HydrophobicContact CZ3-CG 4.29Å
67G87.6Confident89.2Confident0 Ų049.1 Ų49.10%030%0.295CS..  trans-64.3-175.8-175.800000114.2S75 Q115 D117G67-S75 WeakPolarHBondContact O-CA 3.43Å; G67-Q115 CarbonylContact C-O 3.44Å; G67-Q115 WeakPolarHBondContact CA-O 3.41Å; G67-D117 VanDerWaalsContact CA-OD1 3.29Å; G67-D117 WeakPolarHBondContact CA-OD1 3.4Å; G67-D117 PolarHBondContact N-OD1 2.77Å
68A84.6Confident88.8Confident4 Ų451.6 Ų51.63%0.03330%0.295CS..BIsolated β-bridgetrans-64.5143.7-177.100000111.7G73 S74 C114 Q115A68-G73 WeakPolarHBondContact CB-O 3.23Å; A68-S74 WeakPolarHBondContact CA-O 3.08Å; A68-C114 HydrophobicContact CB-CB 4.28Å; A68-C114 VanDerWaalsContact O-CB 3.27Å; A68-C114 WeakPolarHBondContact O-CB 3.41Å; A68-Q115 HydrophobicContact CB-CB 4.23Å; A68-Q115 PolarHBondContact N-O 2.9Å
69M78Confident88.7Confident64 Ų6450.9 Ų50.932%0.31528%0.282SS..SBendtrans-88.5-8-174.5-50.5173.730.800115.9S74 R297M69-S74 WeakPolarHBondContact CG-O 3.49Å; M69-S74 PolarHBondContact N-O 3.27Å; M69-S74 VanDerWaalsContact N-O 3.08Å; M69-R297 WeakPolarHBondContact CA-O 3.42Å; M69-R297 HydrophobicContact CB-CB 4.38Å; M69-R297 WeakPolarHBondContact CB-O 3.25Å; M69-R297 HydrophobicContact CE-CB 3.61Å; M69-R297 HydrophobicContact CE-CG 3.29Å; M69-R297 HydrophobicContact CG-CB 3.84Å; M69-R297 WeakPolarHBondContact CG-O 3.46Å; M69-R297 HydrophobicContact SD-CB 3.86Å; M69-R297 VanDerWaalsContact SD-CD 3.54Å; M69-R297 HydrophobicContact SD-CG 3.88Å
70S80.2Confident88.6Confident62 Ų6247.3 Ų47.343%0.43427%0.267SS..SBendtrans-155.3161.4174.759.60000105.7G72 G73S70-G72 PolarHBondContact O-N 2.88Å; S70-G72 VanDerWaalsContact O-N 3.14Å; S70-G73 WeakPolarHBondContact O-CA 3.49Å; S70-G73 PolarHBondContact O-N 2.03Å; S70-G73 WeakPolarHBondContact OG-CA 3.44Å
71E83.4Confident88.5Confident85 Ų8544 Ų4440%0.39725%0.246SC..THydrogen-bonded Turntrans-54.5123.4173.2-166.2-179.4144.400110.6G73 G141 C142 R144E71-G73 PolarHBondContact O-N 2.78Å; E71-G141 VanDerWaalsContact CD-CA 3.43Å; E71-G141 WeakPolarHBondContact OE2-CA 3.35Å; E71-C142 HydrophobicContact CB-CB 4.07Å; E71-C142 HydrophobicContact CG-CB 4.49Å; E71-C142 PolarHBondContact OE2-N 2.84Å; E71-C142 VanDerWaalsContact OE2-N 3.15Å; E71-R144 IonicContact OE1-CZ 3.47Å; E71-R144 IonicContact OE1-NE 3.65Å; E71-R144 IonicContact OE1-NH2 2.62Å; E71-R144 PolarHBondContact OE1-NH2 3.42Å; E71-R144 IonicContact OE2-CZ 3.43Å; E71-R144 IonicContact OE2-NE 2.79Å; E71-R144 PolarHBondContact OE2-NE 3.49Å; E71-R144 IonicContact OE2-NH2 3.32Å; E71-R144 PolarHBondContact OE2-NH2 2.76Å
72G81.5Confident88.3Confident73 Ų7344 Ų4475%0.75325%0.246SC*.THydrogen-bonded Turntrans68.29.7-176.100000115.3S70S70-G72 PolarHBondContact O-N 2.88Å; S70-G72 VanDerWaalsContact O-N 3.14Å
73G85.5Confident88.1Confident30 Ų3044.3 Ų44.331%0.30925%0.251SS..  trans-82.9-178.6-178.800000114.3A68 S70 E71A68-G73 WeakPolarHBondContact CB-O 3.23Å; S70-G73 WeakPolarHBondContact O-CA 3.49Å; S70-G73 PolarHBondContact O-N 2.03Å; S70-G73 WeakPolarHBondContact OG-CA 3.44Å; E71-G73 PolarHBondContact O-N 2.78Å
74S86.4Confident88Confident97 Ų9744.6 Ų44.668%0.67825%0.252SS*.PPolyproline II helixtrans-75.8148.3176.8-52.10000112.2A68 M69A68-S74 WeakPolarHBondContact CA-O 3.08Å; M69-S74 WeakPolarHBondContact CG-O 3.49Å; M69-S74 PolarHBondContact N-O 3.27Å; M69-S74 VanDerWaalsContact N-O 3.08Å
75S86.2Confident88Confident80 Ų8048.9 Ų48.956%0.55927%0.272SS*.BIsolated β-bridgetrans-77.8162172.856.10000112.6W66 G67W66-S75 VanDerWaalsContact O-CB 3.29Å; W66-S75 WeakPolarHBondContact O-CB 3.36Å; G67-S75 WeakPolarHBondContact O-CA 3.43Å
76S85Confident88.1Confident10 Ų1048.9 Ų48.97%0.0727%0.272CS..PPolyproline II helixtrans-97.2137.1-177.5179.10000113.2W66 R78W66-S76 PolarHBondContact O-N 3.11Å; W66-S76 VanDerWaalsContact O-N 3.08Å; S76-R78 VanDerWaalsContact C-N 3.25Å; S76-R78 WeakPolarHBondContact CB-O 3.4Å; S76-R78 PolarHBondContact O-N 2.92Å; S76-R78 PolarHBondContact OG-N 3.29Å; S76-R78 VanDerWaalsContact OG-N 3.11Å; S76-R78 PolarHBondContact OG-O 3.32Å
77R85.4Confident88.2Confident194 Ų19447.5 Ų47.573%0.73227%0.267SS*.SBendtrans-77.6-7.6170.7-66.5-168.2-64.9163.1-3.1113.9M1M1-R77 PolarHBondContact N-O 3.27Å; M1-R77 VanDerWaalsContact N-O 3.14Å
78R88.4Confident88.4Confident130 Ų13051.3 Ų51.349%0.49129%0.288SS..SBendtrans-122.6149.8180-60.2-179.683.3-177.79.7108.7S76 L80 E303S76-R78 VanDerWaalsContact C-N 3.25Å; S76-R78 WeakPolarHBondContact CB-O 3.4Å; S76-R78 PolarHBondContact O-N 2.92Å; S76-R78 PolarHBondContact OG-N 3.29Å; S76-R78 VanDerWaalsContact OG-N 3.11Å; S76-R78 PolarHBondContact OG-O 3.32Å; R78-L80 WeakPolarHBondContact O-CG 3.37Å; R78-E303 HydrophobicContact CB-CG 4.06Å; R78-E303 WeakPolarHBondContact CD-OE2 3.19Å; R78-E303 IonicContact CZ-OE1 3.43Å; R78-E303 IonicContact CZ-OE2 2.89Å; R78-E303 IonicContact NE-OE1 3.51Å; R78-E303 PolarHBondContact NE-OE1 2.96Å; R78-E303 IonicContact NE-OE2 2.64Å; R78-E303 PolarHBondContact NE-OE2 2.93Å; R78-E303 IonicContact NH1-OE1 3.63Å; R78-E303 PolarHBondContact NH1-OE1 3.39Å; R78-E303 IonicContact NH1-OE2 3.73Å; R78-E303 PolarHBondContact NH1-OE2 3.17Å; R78-E303 IonicContact NH2-OE1 2.9Å; R78-E303 PolarHBondContact NH2-OE1 2.92Å
79L91.3Very high88.4Confident24 Ų2452.2 Ų52.213%0.12629%0.291CS..  trans-68136.4177.5-179.460.5000109.8W66 E303 A304 L309 Q312W66-L79 HydrophobicContact CD2-CD1 4.15Å; W66-L79 HydrophobicContact CE3-CD1 4.46Å; W66-L79 HydrophobicContact CH2-CD1 4.31Å; W66-L79 HydrophobicContact CZ2-CB 4.36Å; W66-L79 HydrophobicContact CZ2-CD1 3.95Å; L79-E303 WeakPolarHBondContact O-CG 3.4Å; L79-A304 HydrophobicContact CB-CB 4.35Å; L79-A304 HydrophobicContact CD2-CB 4.15Å; L79-A304 HydrophobicContact CG-CB 3.97Å; L79-A304 PolarHBondContact O-N 3.39Å; L79-L309 HydrophobicContact CD2-CB 4.01Å; L79-L309 HydrophobicContact CD2-CD1 3.92Å; L79-L309 HydrophobicContact CG-CD1 4.42Å; L79-Q312 HydrophobicContact CD1-CG 3.66Å; L79-Q312 HydrophobicContact CD2-CB 3.91Å; L79-Q312 HydrophobicContact CD2-CG 3.78Å; L79-Q312 HydrophobicContact CG-CG 4.39Å
80L91.5Very high88.8Confident0 Ų054 Ų540%031%0.31CS..EExtended strand (participates in β ladder)trans-123.6158.6-178.9-51.9171.8000109.9S64 G65 R78 R297 I298 Y302 E303S64-L80 WeakPolarHBondContact CA-O 3.3Å; S64-L80 VanDerWaalsContact CB-O 3.25Å; S64-L80 WeakPolarHBondContact CB-O 3.1Å; G65-L80 PolarHBondContact N-O 3.11Å; G65-L80 PolarHBondContact O-N 3.17Å; R78-L80 WeakPolarHBondContact O-CG 3.37Å; L80-R297 VanDerWaalsContact CD1-C 3.45Å; L80-R297 HydrophobicContact CD1-CB 3.27Å; L80-R297 HydrophobicContact CD1-CG 4.44Å; L80-R297 HydrophobicContact CD2-CB 3.75Å; L80-R297 HydrophobicContact CD2-CG 4.27Å; L80-R297 HydrophobicContact CG-CB 4.1Å; L80-I298 HydrophobicContact CB-CD1 4.01Å; L80-I298 HydrophobicContact CB-CG1 3.47Å; L80-I298 VanDerWaalsContact CB-CG1 3.47Å; L80-I298 HydrophobicContact CD1-CD1 4.33Å; L80-I298 HydrophobicContact CD1-CG1 4.22Å; L80-Y302 CarbonylContact C-O 3.39Å; L80-Y302 VanDerWaalsContact CA-O 3.29Å; L80-Y302 WeakPolarHBondContact CA-O 3.18Å; L80-E303 HydrophobicContact CD2-CB 4.11Å; L80-E303 HydrophobicContact CD2-CG 4.04Å
81Q92.8Very high89.1Confident0 Ų055.8 Ų55.80%031%0.311CS..EExtended strand (participates in β ladder)trans-140.7153.2172.466.4-179.854.400111.1V63 S285 G301 Y302 A304 L309V63-Q81 CarbonylContact O-C 3.52Å; V63-Q81 WeakPolarHBondContact O-CA 3.35Å; Q81-S285 PolarHBondContact NE2-OG 2.98Å; Q81-S285 PolarHBondContact OE1-OG 3.13Å; Q81-G301 CarbonylContact O-C 3.42Å; Q81-G301 WeakPolarHBondContact O-CA 3.48Å; Q81-Y302 HydrophobicContact CG-CD2 3.9Å; Q81-Y302 HydrophobicContact CG-CE2 3.46Å; Q81-Y302 VanDerWaalsContact CG-CE2 3.46Å; Q81-Y302 PolarHBondContact N-O 3.2Å; Q81-Y302 VanDerWaalsContact NE2-CZ 3.31Å; Q81-Y302 PolarHBondContact NE2-OH 3.12Å; Q81-Y302 PolarHBondContact O-N 3.11Å; Q81-Y302 VanDerWaalsContact O-O 3.14Å; Q81-A304 HydrophobicContact CG-CB 4.4Å; Q81-L309 HydrophobicContact CB-CD1 4.22Å
82V92.2Very high89.3Confident0 Ų052 Ų520%029%0.294CS..EExtended strand (participates in β ladder)trans-131.2143.9171.263.90000109.4Y62 V63 V84 K111 I298Y62-V82 VanDerWaalsContact CA-O 3.3Å; Y62-V82 WeakPolarHBondContact CA-O 3.01Å; V63-V82 HydrophobicContact CB-CG1 3.99Å; V63-V82 PolarHBondContact N-O 3.02Å; V63-V82 PolarHBondContact O-N 3.47Å; V82-V84 HydrophobicContact CG1-CG1 4.04Å; V82-V84 HydrophobicContact CG2-CG1 4.37Å; V82-K111 HydrophobicContact CG2-CB 4Å; V82-K111 HydrophobicContact CG2-CD 4.13Å; V82-K111 HydrophobicContact CG2-CG 4.23Å; V82-I298 HydrophobicContact CB-CB 3.95Å; V82-I298 HydrophobicContact CB-CG2 3.57Å; V82-I298 HydrophobicContact CG1-CB 4.2Å; V82-I298 HydrophobicContact CG1-CG2 3.34Å; V82-I298 HydrophobicContact CG2-CG2 4.41Å
83D92.4Very high89.6Confident44 Ų4456.2 Ų56.224%0.23529%0.292CS..EExtended strand (participates in β ladder)trans-85.9124.7169.864.3-55000110.4V60 C61 Y62 K111V60-D83 HydrophobicContact CG1-CB 3.78Å; C61-D83 CarbonylContact O-C 3.52Å; C61-D83 VanDerWaalsContact O-CA 3.31Å; C61-D83 WeakPolarHBondContact O-CA 3.17Å; Y62-D83 HydrophobicContact CD1-CB 4.1Å; Y62-D83 HydrophobicContact CE1-CB 3.91Å; D83-K111 VanDerWaalsContact O-CD 3.23Å; D83-K111 WeakPolarHBondContact O-CD 3.48Å; D83-K111 IonicContact OD1-NZ 3.84Å; D83-K111 PolarHBondContact OD1-NZ 2.73Å; D83-K111 IonicContact OD2-NZ 2.7Å; D83-K111 PolarHBondContact OD2-NZ 2.8Å
84V94Very high89.6Confident5 Ų556.1 Ų56.13%0.0329%0.286CS..EExtended strand (participates in β ladder)trans-133.2152.1179.1-68.40000110C61 V63 V82 A104 K111 L122C61-V84 PolarHBondContact N-O 3.17Å; C61-V84 PolarHBondContact O-N 3.27Å; V63-V84 HydrophobicContact CG2-CG2 3.63Å; V82-V84 HydrophobicContact CG1-CG1 4.04Å; V82-V84 HydrophobicContact CG2-CG1 4.37Å; V84-A104 HydrophobicContact CB-CB 4.49Å; V84-A104 HydrophobicContact CG2-CB 4.05Å; V84-K111 HydrophobicContact CG1-CB 4.4Å; V84-L122 HydrophobicContact CG2-CD1 3.99Å
85E95.1Very high89.6Confident91 Ų9152 Ų5243%0.42526%0.257SS..EExtended strand (participates in β ladder)trans-95.9134.7177.2-165.8178.1129.100109.9G58 K59 M87 A104 G105G58-E85 VanDerWaalsContact C-CG 3.47Å; G58-E85 WeakPolarHBondContact CA-OE1 3.02Å; G58-E85 WeakPolarHBondContact O-CG 3.22Å; K59-E85 WeakPolarHBondContact O-CA 3.48Å; E85-M87 PolarHBondContact O-N 3.06Å; E85-A104 CarbonylContact O-C 3.48Å; E85-A104 WeakPolarHBondContact O-CA 3.33Å; E85-A104 WeakPolarHBondContact O-CB 3.48Å; E85-G105 PolarHBondContact N-O 3.42Å; E85-G105 PolarHBondContact O-N 3.21Å
86I96.7Very high89.7Confident0 Ų057.9 Ų57.90%027%0.272CS..EExtended strand (participates in β ladder)trans-67.4119.1167.1-64.4-173.9000107.8L55 P56 V57 G58 K59 F102 A104 L122 F133L55-I86 HydrophobicContact CB-CG2 4.19Å; L55-I86 HydrophobicContact CD1-CG2 4.4Å; L55-I86 HydrophobicContact CD2-CD1 4.45Å; P56-I86 HydrophobicContact CG-CD1 3.99Å; V57-I86 HydrophobicContact CG2-CG2 4.34Å; G58-I86 PolarHBondContact N-O 2.55Å; K59-I86 PolarHBondContact O-N 3.47Å; K59-I86 VanDerWaalsContact O-N 3.13Å; I86-F102 HydrophobicContact CD1-CE2 4.13Å; I86-F102 HydrophobicContact CG1-CE2 4.13Å; I86-F102 HydrophobicContact CG2-CD2 4.13Å; I86-F102 HydrophobicContact CG2-CE2 4.26Å; I86-A104 HydrophobicContact CG1-CB 4.43Å; I86-L122 HydrophobicContact CD1-CD2 4.1Å; I86-L122 HydrophobicContact CG1-CD2 4.28Å; I86-F133 HydrophobicContact CD1-CB 4.37Å
87M93.8Very high90.1Very high5 Ų559.4 Ų59.43%0.02528%0.28CS..PPolyproline II helixtrans-86155.7-170.9-64.5-179.163.100111.7E85 Q89 Q91 C103 V107 P148E85-M87 PolarHBondContact O-N 3.06Å; M87-Q89 PolarHBondContact O-N 3.27Å; M87-Q89 PolarHBondContact O-NE2 3.17Å; M87-Q91 HydrophobicContact CE-CB 3.81Å; M87-C103 HydrophobicContact CB-CB 4.41Å; M87-C103 PolarHBondContact N-O 2.79Å; M87-C103 VanDerWaalsContact N-O 3.11Å; M87-C103 HydrophobicContact SD-CB 4.45Å; M87-V107 HydrophobicContact CE-CG2 3.5Å; M87-P148 HydrophobicContact CE-CG 4.34Å; M87-P148 HydrophobicContact SD-CB 3.58Å; M87-P148 VanDerWaalsContact SD-CB 3.58Å; M87-P148 HydrophobicContact SD-CG 3.69Å
88D91.6Very high90.4Very high80 Ų8054.8 Ų54.843%0.42827%0.266SS..PPolyproline II helixtrans-63.7130.4162.9-173-66.1000108.6V57 S90 Q91V57-D88 HydrophobicContact CG1-CB 4.19Å; D88-S90 PolarHBondContact O-N 2.9Å; D88-S90 WeakPolarHBondContact OD1-CB 3.48Å; D88-S90 PolarHBondContact OD1-N 3.41Å; D88-S90 PolarHBondContact OD1-OG 3.01Å; D88-Q91 WeakPolarHBondContact O-CB 3.23Å; D88-Q91 PolarHBondContact O-N 3.16Å
89Q84.6Confident90.7Very high23 Ų2355.8 Ų55.811%0.10728%0.277CS..G310 helixtrans-68.5-18.2-172.1-57.2-54.7-54.600113.2M87 Q91 C92 Q98 F102M87-Q89 PolarHBondContact O-N 3.27Å; M87-Q89 PolarHBondContact O-NE2 3.17Å; Q89-Q91 PolarHBondContact O-N 2.8Å; Q89-C92 WeakPolarHBondContact O-CB 3.44Å; Q89-C92 PolarHBondContact O-N 2.91Å; Q89-Q98 HydrophobicContact CB-CG 3.9Å; Q89-Q98 VanDerWaalsContact CB-NE2 3.25Å; Q89-Q98 HydrophobicContact CG-CG 4.22Å; Q89-Q98 PolarHBondContact O-NE2 2.85Å; Q89-F102 VanDerWaalsContact OE1-CA 3.29Å
90S86.6Confident90.9Very high101 Ų10155.6 Ų55.671%0.70628%0.276SS*.G310 helixtrans-61.4-24.717066.50000113D88D88-S90 PolarHBondContact O-N 2.9Å; D88-S90 WeakPolarHBondContact OD1-CB 3.48Å; D88-S90 PolarHBondContact OD1-N 3.41Å; D88-S90 PolarHBondContact OD1-OG 3.01Å
91Q86Confident91.2Very high99 Ų9955.9 Ų55.946%0.46328%0.278SS..G310 helixtrans-86.3-12.5176.4-57.8-178.7-35.200112.5M87 D88 Q89 K93M87-Q91 HydrophobicContact CE-CB 3.81Å; D88-Q91 WeakPolarHBondContact O-CB 3.23Å; D88-Q91 PolarHBondContact O-N 3.16Å; Q89-Q91 PolarHBondContact O-N 2.8Å; Q91-K93 PolarHBondContact O-N 2.9Å
92C88.6Confident91.5Very high5 Ų555.9 Ų55.93%0.03428%0.278CS..  trans-92.484.5-173.1-176.90000111.5Q89 S94 V95 C103Q89-C92 WeakPolarHBondContact O-CB 3.44Å; Q89-C92 PolarHBondContact O-N 2.91Å; C92-S94 VanDerWaalsContact C-N 3.28Å; C92-S94 PolarHBondContact O-N 2.77Å; C92-V95 PolarHBondContact O-N 2.7Å; C92-V95 WeakPolarHBondContact SG-CB 3.36Å; C92-V95 WeakPolarHBondContact SG-CG2 3.49Å; C92-C103 HydrophobicContact CB-CB 3.57Å; C92-C103 WeakPolarHBondContact CB-SG 3.31Å; C92-C103 WeakPolarHBondContact SG-CB 3.16Å; C92-C103 CovalentContact SG-SG 2Å; C92-C103 PolarHBondContact SG-SG 3.42Å
93K86.7Confident91.7Very high163 Ų16355.9 Ų55.971%0.70928%0.278SS*.THydrogen-bonded Turntrans-68.3-24.1-177.2-61179.2-175.8177.30114.3Q91 V95Q91-K93 PolarHBondContact O-N 2.9Å; K93-V95 VanDerWaalsContact C-N 3.34Å
94S86.1Confident91.8Very high28 Ų2853.8 Ų53.820%0.19627%0.267CS..THydrogen-bonded Turntrans-78.3-19.4-176.3-56.10000113.2C92C92-S94 VanDerWaalsContact C-N 3.28Å; C92-S94 PolarHBondContact O-N 2.77Å
95V87.6Confident91.8Very high10 Ų1053.7 Ų53.76%0.06127%0.267CS..  trans-99122.7-176.9164.40000109.7C92 K93 Q98 M101 V150C92-V95 PolarHBondContact O-N 2.7Å; C92-V95 WeakPolarHBondContact SG-CB 3.36Å; C92-V95 WeakPolarHBondContact SG-CG2 3.49Å; K93-V95 VanDerWaalsContact C-N 3.34Å; V95-Q98 HydrophobicContact CG1-CB 4.42Å; V95-Q98 HydrophobicContact CG1-CG 3.67Å; V95-M101 HydrophobicContact CB-CE 4.36Å; V95-M101 HydrophobicContact CB-CG 4.39Å; V95-M101 HydrophobicContact CB-SD 4.39Å; V95-M101 HydrophobicContact CG1-CE 4Å; V95-M101 HydrophobicContact CG1-CG 3.75Å; V95-M101 HydrophobicContact CG1-SD 4.24Å; V95-M101 HydrophobicContact CG2-CB 4.46Å; V95-M101 HydrophobicContact CG2-CG 3.94Å; V95-M101 HydrophobicContact CG2-SD 3.91Å; V95-V150 HydrophobicContact CG2-CB 4.48Å; V95-V150 HydrophobicContact CG2-CG1 3.56Å; V95-V150 HydrophobicContact CG2-CG2 4.08Å
96K86.8Confident91.4Very high203 Ų20351.8 Ų51.888%0.88326%0.262SS*.SBendtrans-94.8-32.1172.3-64.1-172.7179.1-176.60113.4
97N93.2Very high90.9Very high42 Ų4254.4 Ų54.423%0.22528%0.278CS..  trans-11997.7-178-174.7-9.5000109.9E25 E99 V100 M101E25-N97 HydrophobicContact CG-CB 4.43Å; E25-N97 WeakPolarHBondContact OE1-CB 3.05Å; E25-N97 PolarHBondContact OE1-ND2 3.14Å; N97-E99 PolarHBondContact O-N 2.94Å; N97-E99 WeakPolarHBondContact OD1-CB 2.93Å; N97-E99 PolarHBondContact OD1-N 3.28Å; N97-E99 VanDerWaalsContact OD1-N 3.17Å; N97-V100 HydrophobicContact CB-CG2 3.93Å; N97-V100 VanDerWaalsContact CG-CG2 3.48Å; N97-V100 WeakPolarHBondContact ND2-CG2 3.45Å; N97-M101 HydrophobicContact CB-CE 4.03Å; N97-M101 WeakPolarHBondContact O-CG 3.47Å; N97-M101 PolarHBondContact O-N 2.85Å
98Q92.6Very high90.7Very high97 Ų9762.7 Ų62.745%0.45331%0.313SS..THydrogen-bonded Turntrans-77.9-9.9-175.4-64.4171.8-100112.8Q89 V95 V100 M101Q89-Q98 HydrophobicContact CB-CG 3.9Å; Q89-Q98 VanDerWaalsContact CB-NE2 3.25Å; Q89-Q98 HydrophobicContact CG-CG 4.22Å; Q89-Q98 PolarHBondContact O-NE2 2.85Å; V95-Q98 HydrophobicContact CG1-CB 4.42Å; V95-Q98 HydrophobicContact CG1-CG 3.67Å; Q98-V100 VanDerWaalsContact C-N 3.29Å; Q98-V100 PolarHBondContact O-N 3.26Å; Q98-M101 WeakPolarHBondContact CA-O 3.39Å
99E93.8Very high90.5Very high152 Ų15259.3 Ų59.371%0.7130%0.297SS*.THydrogen-bonded Turntrans-68.7-33.9177-59.5-177.2170.600111N97 H153 A156N97-E99 PolarHBondContact O-N 2.94Å; N97-E99 WeakPolarHBondContact OD1-CB 2.93Å; N97-E99 PolarHBondContact OD1-N 3.28Å; N97-E99 VanDerWaalsContact OD1-N 3.17Å; E99-H153 PolarHBondContact O-ND1 3.14Å; E99-A156 WeakPolarHBondContact O-CB 3.39Å
100V97.2Very high90.6Very high19 Ų1960.2 Ų60.212%0.11531%0.313CS..THydrogen-bonded Turntrans-116.3-12.6-167.9-68.30000114.4E25 N97 Q98 H153 Y157E25-V100 HydrophobicContact CB-CG2 4.14Å; E25-V100 HydrophobicContact CG-CG2 3.91Å; N97-V100 HydrophobicContact CB-CG2 3.93Å; N97-V100 VanDerWaalsContact CG-CG2 3.48Å; N97-V100 WeakPolarHBondContact ND2-CG2 3.45Å; Q98-V100 VanDerWaalsContact C-N 3.29Å; Q98-V100 PolarHBondContact O-N 3.26Å; V100-H153 WeakPolarHBondContact O-CB 3.46Å; V100-H153 PolarHBondContact O-N 2.04Å; V100-Y157 WeakPolarHBondContact CB-OH 3.39Å; V100-Y157 WeakPolarHBondContact CG1-OH 3.26Å; V100-Y157 PolarHBondContact O-OH 3.13Å
101M97.3Very high90.7Very high6 Ų658.6 Ų58.63%0.0329%0.293CS..EExtended strand (participates in β ladder)trans-149156.4178.454.6174.1170.900111.7E25 V95 N97 Q98 F138 V150 Y151E25-M101 HydrophobicContact CG-CE 4.23Å; V95-M101 HydrophobicContact CB-CE 4.36Å; V95-M101 HydrophobicContact CB-CG 4.39Å; V95-M101 HydrophobicContact CB-SD 4.39Å; V95-M101 HydrophobicContact CG1-CE 4Å; V95-M101 HydrophobicContact CG1-CG 3.75Å; V95-M101 HydrophobicContact CG1-SD 4.24Å; V95-M101 HydrophobicContact CG2-CB 4.46Å; V95-M101 HydrophobicContact CG2-CG 3.94Å; V95-M101 HydrophobicContact CG2-SD 3.91Å; N97-M101 HydrophobicContact CB-CE 4.03Å; N97-M101 WeakPolarHBondContact O-CG 3.47Å; N97-M101 PolarHBondContact O-N 2.85Å; Q98-M101 WeakPolarHBondContact CA-O 3.39Å; M101-F138 HydrophobicContact SD-CE1 4.06Å; M101-F138 HydrophobicContact SD-CZ 4.24Å; M101-V150 HydrophobicContact CB-CG1 4.06Å; M101-V150 HydrophobicContact SD-CG1 4.14Å; M101-Y151 CarbonylContact C-O 3.52Å; M101-Y151 WeakPolarHBondContact CA-O 3.45Å; M101-Y151 WeakPolarHBondContact CB-O 3.09Å
102F97.8Very high90.8Very high0 Ų054 Ų540%027%0.272CS..EExtended strand (participates in β ladder)trans-149.8160.5-179.170.8-83.5000112L55 I86 Q89 A104 L122 F133 V150 Y151 H153L55-F102 HydrophobicContact CD1-CB 3.61Å; L55-F102 HydrophobicContact CD1-CD1 4.08Å; L55-F102 HydrophobicContact CD1-CD2 3.92Å; L55-F102 HydrophobicContact CD1-CG 3.61Å; L55-F102 HydrophobicContact CD2-CD1 4.29Å; L55-F102 HydrophobicContact CD2-CD2 4.47Å; L55-F102 HydrophobicContact CD2-CE1 4.21Å; L55-F102 HydrophobicContact CD2-CE2 4.41Å; L55-F102 HydrophobicContact CD2-CG 4.42Å; L55-F102 HydrophobicContact CD2-CZ 4.27Å; I86-F102 HydrophobicContact CD1-CE2 4.13Å; I86-F102 HydrophobicContact CG1-CE2 4.13Å; I86-F102 HydrophobicContact CG2-CD2 4.13Å; I86-F102 HydrophobicContact CG2-CE2 4.26Å; Q89-F102 VanDerWaalsContact OE1-CA 3.29Å; F102-A104 HydrophobicContact CE2-CB 4.38Å; F102-L122 HydrophobicContact CE2-CD1 4.4Å; F102-L122 HydrophobicContact CE2-CD2 4.5Å; F102-L122 HydrophobicContact CZ-CD2 4.31Å; F102-F133 WeakPolarHBondContact CE1-O 3.29Å; F102-F133 HydrophobicContact CZ-CB 4.46Å; F102-V150 WeakPolarHBondContact O-CA 3.23Å; F102-Y151 HydrophobicContact CE2-CD2 4.39Å; F102-Y151 HydrophobicContact CZ-CG 4.32Å; F102-Y151 PolarHBondContact N-O 3.2Å; F102-Y151 PolarHBondContact O-N 2.85Å; F102-H153 HydrophobicContact CD1-CB 3.97Å; F102-H153 AromaticContact CD1-CD2 3.99Å
103C96.4Very high90.8Very high0 Ų054.1 Ų54.10%027%0.273CS..EExtended strand (participates in β ladder)trans-92.7144.9172.5-73.30000113.5M87 C92 P148 G149M87-C103 HydrophobicContact CB-CB 4.41Å; M87-C103 PolarHBondContact N-O 2.79Å; M87-C103 VanDerWaalsContact N-O 3.11Å; M87-C103 HydrophobicContact SD-CB 4.45Å; C92-C103 HydrophobicContact CB-CB 3.57Å; C92-C103 WeakPolarHBondContact CB-SG 3.31Å; C92-C103 WeakPolarHBondContact SG-CB 3.16Å; C92-C103 CovalentContact SG-SG 2Å; C92-C103 PolarHBondContact SG-SG 3.42Å; C103-P148 HydrophobicContact CB-CB 4.27Å; C103-P148 HydrophobicContact CB-CG 3.8Å; C103-P148 VanDerWaalsContact SG-CG 3.54Å; C103-G149 WeakPolarHBondContact CA-O 3.36Å
104A96.1Very high90.9Very high0 Ų046.9 Ų46.90%024%0.242CC..EExtended strand (participates in β ladder)trans-137.7145.816100000110.7V84 E85 I86 F102 L122 G149 Y151V84-A104 HydrophobicContact CB-CB 4.49Å; V84-A104 HydrophobicContact CG2-CB 4.05Å; E85-A104 CarbonylContact O-C 3.48Å; E85-A104 WeakPolarHBondContact O-CA 3.33Å; E85-A104 WeakPolarHBondContact O-CB 3.48Å; I86-A104 HydrophobicContact CG1-CB 4.43Å; F102-A104 HydrophobicContact CE2-CB 4.38Å; A104-L122 HydrophobicContact CB-CD1 3.45Å; A104-L122 VanDerWaalsContact CB-CD1 3.45Å; A104-G149 PolarHBondContact N-O 3.4Å; A104-G149 VanDerWaalsContact N-O 3.12Å; A104-G149 PolarHBondContact O-N 3.14Å; A104-Y151 HydrophobicContact CB-CD2 3.97Å; A104-Y151 HydrophobicContact CB-CE2 3.57Å
105G92.6Very high91Very high4 Ų450 Ų504%0.04125%0.254CS..EExtended strand (participates in β ladder)trans149.3-142.2-176.100000111.6E85E85-G105 PolarHBondContact N-O 3.42Å; E85-G105 PolarHBondContact O-N 3.21Å
106T87.6Confident91Very high51 Ų5150.5 Ų50.531%0.31326%0.261SS..  trans-144.3142.9171.6176.50000109.7K108 G109 K111T106-K108 PolarHBondContact O-N 3.02Å; T106-K108 VanDerWaalsContact O-N 3.14Å; T106-K108 PolarHBondContact OG1-N 2.79Å; T106-G109 WeakPolarHBondContact CG2-O 3.47Å; T106-G109 PolarHBondContact O-N 2.87Å; T106-K111 HydrophobicContact CG2-CB 4.44Å
107V86.9Confident91.2Very high55 Ų5540.9 Ų40.933%0.33322%0.219SC..THydrogen-bonded Turntrans-56.4-31176.1-177.80000111.4M87 G109 V145 N146M87-V107 HydrophobicContact CE-CG2 3.5Å; V107-G109 PolarHBondContact O-N 3.07Å; V107-V145 WeakPolarHBondContact O-CG1 3.49Å; V107-N146 WeakPolarHBondContact CG1-OD1 3.06Å; V107-N146 PolarHBondContact O-N 3.04Å
108K89.1Confident91.4Very high178 Ų17840.1 Ų40.177%0.77422%0.217SC*.THydrogen-bonded Turntrans-72.3-8178.1-65.5-177.2179.6177.40113.7T106T106-K108 PolarHBondContact O-N 3.02Å; T106-K108 VanDerWaalsContact O-N 3.14Å; T106-K108 PolarHBondContact OG1-N 2.79Å
109G87.4Confident91.6Very high9 Ų935.5 Ų35.59%0.09320%0.196CC..  trans63-155.3-170.800000112.5T106 V107 K111 A143T106-G109 WeakPolarHBondContact CG2-O 3.47Å; T106-G109 PolarHBondContact O-N 2.87Å; V107-G109 PolarHBondContact O-N 3.07Å; G109-K111 PolarHBondContact O-N 3.47Å; G109-K111 VanDerWaalsContact O-N 3.1Å; G109-A143 CarbonylContact C-O 3.55Å; G109-A143 VanDerWaalsContact CA-O 3.31Å; G109-A143 WeakPolarHBondContact CA-O 3.39Å
110G86.5Confident91.8Very high42 Ų4228.2 Ų28.243%0.43316%0.162SC..SBendtrans74.7-13.6-178.100000115.3A143 V299 G300G110-A143 PolarHBondContact N-O 3.28Å; G110-V299 CarbonylContact O-C 3.56Å; G110-V299 VanDerWaalsContact O-C 3.32Å; G110-G300 VanDerWaalsContact O-CA 3.23Å; G110-G300 WeakPolarHBondContact O-CA 3.39Å; G110-G300 PolarHBondContact O-N 3.23Å
111K87.4Confident91.9Very high68 Ų6827.3 Ų27.330%0.29616%0.156SC..  trans-129120.6171.2-62-165.3-178.1-170.20111.9V82 D83 V84 T106 G109 V299V82-K111 HydrophobicContact CG2-CB 4Å; V82-K111 HydrophobicContact CG2-CD 4.13Å; V82-K111 HydrophobicContact CG2-CG 4.23Å; D83-K111 VanDerWaalsContact O-CD 3.23Å; D83-K111 WeakPolarHBondContact O-CD 3.48Å; D83-K111 IonicContact OD1-NZ 3.84Å; D83-K111 PolarHBondContact OD1-NZ 2.73Å; D83-K111 IonicContact OD2-NZ 2.7Å; D83-K111 PolarHBondContact OD2-NZ 2.8Å; V84-K111 HydrophobicContact CG1-CB 4.4Å; T106-K111 HydrophobicContact CG2-CB 4.44Å; G109-K111 PolarHBondContact O-N 3.47Å; G109-K111 VanDerWaalsContact O-N 3.1Å; K111-V299 WeakPolarHBondContact CA-O 3.27Å
112D88.2Confident92Very high1 Ų127 Ų271%0.00516%0.155CC..BIsolated β-bridgetrans-169.3158.3179.6-160.3-0.3000112.6A143 G149 I298 V299D112-A143 VanDerWaalsContact CB-CA 3.48Å; D112-A143 HydrophobicContact CB-CB 3.58Å; D112-A143 PolarHBondContact OD2-N 2.76Å; D112-G149 WeakPolarHBondContact OD1-CA 2.94Å; D112-G149 PolarHBondContact OD1-N 2.95Å; D112-I298 WeakPolarHBondContact O-CG2 3.43Å; D112-V299 PolarHBondContact N-O 3.39Å; D112-V299 VanDerWaalsContact N-O 3.17Å; D112-V299 PolarHBondContact O-N 3.01Å
113S89.8Confident92Very high9 Ų927 Ų276%0.06316%0.155CC..  trans-65.8160.6157.5520000111.8
114C89.4Confident92.1Very high10 Ų1027 Ų277%0.06816%0.155CC..  trans-144.8-169.2178.5-156.90000112.5A68 G116 D117 C142 V299A68-C114 HydrophobicContact CB-CB 4.28Å; A68-C114 VanDerWaalsContact O-CB 3.27Å; A68-C114 WeakPolarHBondContact O-CB 3.41Å; C114-G116 PolarHBondContact O-N 3.49Å; C114-D117 PolarHBondContact N-OD2 3.26Å; C114-D117 WeakPolarHBondContact O-CB 3.48Å; C114-D117 PolarHBondContact O-N 2.83Å; C114-C142 WeakPolarHBondContact CA-SG 3.29Å; C114-C142 HydrophobicContact CB-CB 3.8Å; C114-C142 WeakPolarHBondContact CB-SG 3.46Å; C114-C142 WeakPolarHBondContact SG-CB 3.23Å; C114-C142 CovalentContact SG-SG 2.04Å; C114-C142 PolarHBondContact SG-SG 3.04Å; C114-V299 HydrophobicContact CB-CG2 4.4Å
115Q87.3Confident92.1Very high95 Ų9531 Ų3144%0.44417%0.173SC..THydrogen-bonded Turntrans-57.5123.4-174.7-67.881.642.200111.5G67 A68 C142G67-Q115 CarbonylContact C-O 3.44Å; G67-Q115 WeakPolarHBondContact CA-O 3.41Å; A68-Q115 HydrophobicContact CB-CB 4.23Å; A68-Q115 PolarHBondContact N-O 2.9Å; Q115-C142 PolarHBondContact NE2-SG 2.82Å
116G86.6Confident92.2Very high20 Ų2032.4 Ų32.421%0.20618%0.181CC..THydrogen-bonded Turntrans98.1-9.4-178.400000114.9C114 S118C114-G116 PolarHBondContact O-N 3.49Å; G116-S118 VanDerWaalsContact C-N 3.34Å
117D92.9Very high92.5Very high0 Ų037.5 Ų37.50%021%0.206CC..  trans-84.3-11.8169.1-61.4-48.1000112.8G65 W66 G67 C114 G119 G120 V136 I298G65-D117 VanDerWaalsContact C-OD1 3.3Å; G65-D117 VanDerWaalsContact CA-OD1 3.23Å; G65-D117 WeakPolarHBondContact CA-OD1 2.84Å; W66-D117 PolarHBondContact N-OD1 2.87Å; G67-D117 VanDerWaalsContact CA-OD1 3.29Å; G67-D117 WeakPolarHBondContact CA-OD1 3.4Å; G67-D117 PolarHBondContact N-OD1 2.77Å; C114-D117 PolarHBondContact N-OD2 3.26Å; C114-D117 WeakPolarHBondContact O-CB 3.48Å; C114-D117 PolarHBondContact O-N 2.83Å; D117-G119 PolarHBondContact O-N 2.79Å; D117-G120 WeakPolarHBondContact O-CA 3.3Å; D117-G120 PolarHBondContact O-N 2.89Å; D117-V136 HydrophobicContact CB-CG1 4.29Å; D117-V136 WeakPolarHBondContact O-CB 3.47Å; D117-I298 WeakPolarHBondContact OD1-CD1 3.27Å; D117-I298 WeakPolarHBondContact OD2-CD1 3.28Å
118S95.5Very high92.7Very high26 Ų2637 Ų3718%0.18221%0.212CC..THydrogen-bonded Turntrans-38.3130.4173.4-75.70000113.1G116 G120 C327 G328 H348G116-S118 VanDerWaalsContact C-N 3.34Å; S118-G120 PolarHBondContact O-N 2.81Å; S118-C327 CarbonylContact O-C 3.59Å; S118-C327 WeakPolarHBondContact O-CA 3.08Å; S118-C327 WeakPolarHBondContact O-CB 3.31Å; S118-G328 PolarHBondContact O-N 2.86Å; S118-H348 WeakPolarHBondContact CB-NE2 3.48Å; S118-H348 PolarHBondContact OG-NE2 2.71Å
119G98.1Very high93Very high0 Ų031.6 Ų31.60%019%0.188CC..THydrogen-bonded Turntrans78.6-9.8-176.700000115D117 V136 G328 G329 T345D117-G119 PolarHBondContact O-N 2.79Å; G119-V136 PolarHBondContact N-O 2.78Å; G119-G328 VanDerWaalsContact C-C 3.43Å; G119-G328 CarbonylContact C-O 3.39Å; G119-G328 VanDerWaalsContact C-O 3.26Å; G119-G328 CarbonylContact O-C 3.6Å; G119-G329 WeakPolarHBondContact O-CA 3.35Å; G119-G329 PolarHBondContact O-N 3.42Å; G119-T345 WeakPolarHBondContact CA-OG1 3.44Å
120G98.2Very high93.5Very high0 Ų032.3 Ų32.30%019%0.188CC..  trans-64.6159.1174.200000112.7D117 S118 V135 V136D117-G120 WeakPolarHBondContact O-CA 3.3Å; D117-G120 PolarHBondContact O-N 2.89Å; S118-G120 PolarHBondContact O-N 2.81Å; G120-V135 WeakPolarHBondContact O-CA 3.47Å; G120-V136 WeakPolarHBondContact O-CG2 3.4Å; G120-V136 PolarHBondContact O-N 3.28Å
121P98.6Very high94.1Very high0 Ų030.9 Ų30.90%017%0.171CC..EExtended strand (participates in β ladder)trans-84145.7-176.335.3-35.9000112.3V63 V123 Q132V63-P121 WeakPolarHBondContact CA-O 3.31Å; P121-V123 HydrophobicContact CB-CG1 3.87Å; P121-V123 HydrophobicContact CG-CG1 4.39Å; P121-Q132 HydrophobicContact CB-CG 4Å
122L98.6Very high94.6Very high0 Ų027.7 Ų27.70%016%0.157CC..EExtended strand (participates in β ladder)trans-103.8114.7156.1-178.1151000108.1C61 Y62 V63 V84 I86 F102 A104 Q132 F133 G134 Y151C61-L122 HydrophobicContact CB-CD2 3.73Å; C61-L122 HydrophobicContact CB-CG 4.18Å; Y62-L122 CarbonylContact O-C 3.51Å; Y62-L122 WeakPolarHBondContact O-CA 3.39Å; V63-L122 HydrophobicContact CG2-CB 3.94Å; V63-L122 HydrophobicContact CG2-CD1 3.72Å; V63-L122 HydrophobicContact CG2-CG 3.85Å; V84-L122 HydrophobicContact CG2-CD1 3.99Å; I86-L122 HydrophobicContact CD1-CD2 4.1Å; I86-L122 HydrophobicContact CG1-CD2 4.28Å; F102-L122 HydrophobicContact CE2-CD1 4.4Å; F102-L122 HydrophobicContact CE2-CD2 4.5Å; F102-L122 HydrophobicContact CZ-CD2 4.31Å; A104-L122 HydrophobicContact CB-CD1 3.45Å; A104-L122 VanDerWaalsContact CB-CD1 3.45Å; L122-Q132 CarbonylContact O-C 3.5Å; L122-Q132 WeakPolarHBondContact O-CA 3.35Å; L122-F133 HydrophobicContact CD2-CB 4.27Å; L122-F133 PolarHBondContact O-N 2.86Å; L122-G134 PolarHBondContact N-O 3.46Å; L122-G134 PolarHBondContact O-N 2.92Å; L122-Y151 HydrophobicContact CB-CD1 3.86Å; L122-Y151 HydrophobicContact CB-CE1 3.99Å; L122-Y151 HydrophobicContact CD1-CD1 3.87Å; L122-Y151 HydrophobicContact CD1-CD2 4.06Å; L122-Y151 HydrophobicContact CD1-CE1 3.68Å; L122-Y151 HydrophobicContact CD1-CE2 3.9Å; L122-Y151 HydrophobicContact CD1-CG 4.07Å; L122-Y151 HydrophobicContact CG-CE1 4.46Å
123V98.6Very high95.2Very high0 Ų027.7 Ų27.70%016%0.157CC..EExtended strand (participates in β ladder)trans-117.4138.4-174.6-55.30000112.1V46 C61 Y62 P121 Y130 V131 Q132 W311V46-V123 HydrophobicContact CG2-CB 4.49Å; V46-V123 HydrophobicContact CG2-CG1 3.78Å; C61-V123 CarbonylContact C-O 3.5Å; C61-V123 WeakPolarHBondContact CA-O 3.41Å; C61-V123 VanDerWaalsContact CB-O 3.31Å; C61-V123 WeakPolarHBondContact CB-O 3.21Å; Y62-V123 PolarHBondContact N-O 2.91Å; Y62-V123 PolarHBondContact O-N 3.43Å; P121-V123 HydrophobicContact CB-CG1 3.87Å; P121-V123 HydrophobicContact CG-CG1 4.39Å; V123-Y130 HydrophobicContact CB-CD1 4.29Å; V123-Y130 HydrophobicContact CG2-CD1 3.77Å; V123-Y130 HydrophobicContact CG2-CE1 4.46Å; V123-V131 CarbonylContact C-O 3.57Å; V123-V131 VanDerWaalsContact CA-O 3.27Å; V123-V131 WeakPolarHBondContact CA-O 2.97Å; V123-Q132 HydrophobicContact CG1-CB 4.19Å; V123-Q132 HydrophobicContact CG1-CG 4.42Å; V123-W311 HydrophobicContact CG2-CZ2 4.29Å
124C97.8Very high95.6Very high0 Ų027.2 Ų27.20%015%0.154CC..EExtended strand (participates in β ladder)trans-121.1140.1178.3-50.20000109.4K59 C61 V126 Y130 V131 F133K59-C124 HydrophobicContact CD-CB 4.19Å; C61-C124 HydrophobicContact CB-CB 4.05Å; C61-C124 WeakPolarHBondContact CB-SG 3.42Å; C61-C124 WeakPolarHBondContact SG-CB 3.43Å; C61-C124 CovalentContact SG-SG 2.03Å; C61-C124 PolarHBondContact SG-SG 3.13Å; C124-V126 HydrophobicContact CB-CG2 4.43Å; C124-V126 PolarHBondContact O-N 2.93Å; C124-Y130 WeakPolarHBondContact O-CA 3.36Å; C124-V131 PolarHBondContact N-O 2.79Å; C124-V131 PolarHBondContact O-N 3.24Å; C124-F133 HydrophobicContact CB-CD2 3.88Å; C124-F133 HydrophobicContact CB-CE2 4.1Å
125E95.9Very high96Very high84 Ų8426.8 Ų26.839%0.39315%0.151SC..EExtended strand (participates in β ladder)trans-79.8106.2174.3-172.7179.2179.400110.4K59 K129 Y130K59-E125 WeakPolarHBondContact CE-O 3.4Å; K59-E125 PolarHBondContact NZ-O 3.38Å; E125-K129 CarbonylContact C-O 3.58Å; E125-K129 WeakPolarHBondContact CA-O 3.49Å; E125-Y130 HydrophobicContact CB-CD1 4.44Å; E125-Y130 HydrophobicContact CB-CE1 4.25Å
126V95.7Very high96.6Very high33 Ų3322.5 Ų22.520%0.213%0.132CC..EExtended strand (participates in β ladder)trans-116.6123.9177.9-177.20000108.3C124 G128 K129 V131 F133C124-V126 HydrophobicContact CB-CG2 4.43Å; C124-V126 PolarHBondContact O-N 2.93Å; V126-G128 PolarHBondContact O-N 2.85Å; V126-G128 VanDerWaalsContact O-N 3.14Å; V126-K129 PolarHBondContact N-O 2.86Å; V126-K129 PolarHBondContact O-N 2.96Å; V126-K129 VanDerWaalsContact O-O 3.07Å; V126-V131 HydrophobicContact CB-CG2 4.02Å; V126-V131 HydrophobicContact CG2-CB 4.5Å; V126-V131 HydrophobicContact CG2-CG2 4.35Å; V126-F133 HydrophobicContact CG2-CE2 3.87Å; V126-F133 HydrophobicContact CG2-CZ 4.32Å
127D92.9Very high97Very high158 Ų15822 Ų2285%0.84513%0.125SC*.THydrogen-bonded Turntrans49.840.5-179.9-55.4-32.2000114.1K129D127-K129 VanDerWaalsContact C-N 3.3Å; D127-K129 PolarHBondContact O-N 3.01Å
128G92.3Very high97.1Very high43 Ų4324.4 Ų24.444%0.44314%0.135SC..THydrogen-bonded Turntrans72.616.9-179.400000114.8V126V126-G128 PolarHBondContact O-N 2.85Å; V126-G128 VanDerWaalsContact O-N 3.14Å
129K95.5Very high96.9Very high65 Ų6524.8 Ų24.828%0.28314%0.143SC..EExtended strand (participates in β ladder)trans-125.4140.5174.8-61.6-176.4175.7-174.20110.5E125 V126 D127 V131 E277 K280E125-K129 CarbonylContact C-O 3.58Å; E125-K129 WeakPolarHBondContact CA-O 3.49Å; V126-K129 PolarHBondContact N-O 2.86Å; V126-K129 PolarHBondContact O-N 2.96Å; V126-K129 VanDerWaalsContact O-O 3.07Å; D127-K129 VanDerWaalsContact C-N 3.3Å; D127-K129 PolarHBondContact O-N 3.01Å; K129-V131 PolarHBondContact O-N 3.29Å; K129-E277 WeakPolarHBondContact CE-OE2 3.43Å; K129-E277 IonicContact NZ-OE2 3.76Å; K129-E277 PolarHBondContact NZ-OE2 2.76Å; K129-K280 VanDerWaalsContact CE-CE 3.44Å; K129-K280 HydrophobicContact CG-CD 4.36Å; K129-K280 HydrophobicContact CG-CG 3.99Å
130Y98.2Very high96.4Very high24 Ų2427.5 Ų27.59%0.09416%0.16CC..EExtended strand (participates in β ladder)trans-77.1120.7167.9-71.9-85.2000110.5V46 C47 Y62 V123 C124 E125 G279 P281 W311V46-Y130 VanDerWaalsContact CG2-O 3.26Å; V46-Y130 WeakPolarHBondContact CG2-O 3.15Å; C47-Y130 WeakPolarHBondContact CB-O 3.4Å; C47-Y130 PolarHBondContact N-O 3.11Å; C47-Y130 VanDerWaalsContact N-O 3.11Å; Y62-Y130 AromaticContact CD2-CE1 3.87Å; Y62-Y130 HydrophobicContact CD2-CE1 3.87Å; Y62-Y130 HydrophobicContact CE2-CE1 4.06Å; V123-Y130 HydrophobicContact CB-CD1 4.29Å; V123-Y130 HydrophobicContact CG2-CD1 3.77Å; V123-Y130 HydrophobicContact CG2-CE1 4.46Å; C124-Y130 WeakPolarHBondContact O-CA 3.36Å; E125-Y130 HydrophobicContact CB-CD1 4.44Å; E125-Y130 HydrophobicContact CB-CE1 4.25Å; Y130-G279 WeakPolarHBondContact CD2-O 3.14Å; Y130-G279 PolarHBondContact N-O 2.73Å; Y130-G279 WeakPolarHBondContact O-CA 3.19Å; Y130-P281 HydrophobicContact CD2-CG 4.33Å; Y130-P281 HydrophobicContact CE2-CG 4.21Å; Y130-W311 VanDerWaalsContact CB-CH2 3.49Å; Y130-W311 HydrophobicContact CD1-CH2 4.4Å; Y130-W311 HydrophobicContact CD1-CZ2 4.38Å; Y130-W311 AromaticContact CD2-CH2 3.56Å; Y130-W311 HydrophobicContact CD2-CH2 3.56Å; Y130-W311 HydrophobicContact CD2-CZ2 4.31Å; Y130-W311 HydrophobicContact CD2-CZ3 4.45Å; Y130-W311 HydrophobicContact CE2-CH2 4.4Å; Y130-W311 AromaticContact CG-CH2 3.56Å; Y130-W311 HydrophobicContact CG-CH2 3.56Å; Y130-W311 AromaticContact CG-CZ2 3.92Å; Y130-W311 HydrophobicContact CG-CZ2 3.92Å
131V98.7Very high96Very high13 Ų1328.5 Ų28.58%0.07917%0.17CC..EExtended strand (participates in β ladder)trans-116.2133.2179.2-176.70000109C47 P49 V123 C124 V126 K129 F133C47-V131 HydrophobicContact CB-CG2 4.06Å; C47-V131 WeakPolarHBondContact O-CA 3.35Å; P49-V131 HydrophobicContact CB-CG1 3.89Å; P49-V131 HydrophobicContact CG-CG1 4.49Å; V123-V131 CarbonylContact C-O 3.57Å; V123-V131 VanDerWaalsContact CA-O 3.27Å; V123-V131 WeakPolarHBondContact CA-O 2.97Å; C124-V131 PolarHBondContact N-O 2.79Å; C124-V131 PolarHBondContact O-N 3.24Å; V126-V131 HydrophobicContact CB-CG2 4.02Å; V126-V131 HydrophobicContact CG2-CB 4.5Å; V126-V131 HydrophobicContact CG2-CG2 4.35Å; K129-V131 PolarHBondContact O-N 3.29Å; V131-F133 HydrophobicContact CB-CD2 4.31Å; V131-F133 HydrophobicContact CB-CE2 3.82Å; V131-F133 HydrophobicContact CG1-CD2 4.15Å; V131-F133 HydrophobicContact CG1-CE2 3.7Å; V131-F133 HydrophobicContact CG1-CZ 4.16Å; V131-F133 PolarHBondContact O-N 3.28Å
132Q98.8Very high95.5Very high0 Ų029 Ų290%017%0.173CC..EExtended strand (participates in β ladder)trans-89.8105.9-178.6-175.3179.5-700112V46 C47 P49 P121 L122 V123 G134 V154 S330V46-Q132 HydrophobicContact CG1-CB 3.8Å; V46-Q132 HydrophobicContact CG2-CB 4.02Å; C47-Q132 PolarHBondContact O-N 2.83Å; P49-Q132 WeakPolarHBondContact CD-O 3.39Å; P121-Q132 HydrophobicContact CB-CG 4Å; L122-Q132 CarbonylContact O-C 3.5Å; L122-Q132 WeakPolarHBondContact O-CA 3.35Å; V123-Q132 HydrophobicContact CG1-CB 4.19Å; V123-Q132 HydrophobicContact CG1-CG 4.42Å; Q132-G134 WeakPolarHBondContact CG-O 3.27Å; Q132-G134 PolarHBondContact NE2-O 3.13Å; Q132-V154 HydrophobicContact CG-CG2 4.45Å; Q132-V154 WeakPolarHBondContact O-CB 3.01Å; Q132-V154 WeakPolarHBondContact O-CG1 3.35Å; Q132-S330 PolarHBondContact NE2-OG 3.38Å; Q132-S330 VanDerWaalsContact NE2-OG 3.13Å; Q132-S330 PolarHBondContact OE1-OG 3.29Å
133F98.8Very high95Very high1 Ų129.6 Ų29.60%0.00418%0.178CC..EExtended strand (participates in β ladder)trans-90.9-23.5178.2-77.8-88.6000113.3P49 E53 L55 P56 I86 F102 L122 C124 V126 V131 V154 P155P49-F133 HydrophobicContact CB-CD1 4.4Å; P49-F133 HydrophobicContact CB-CE1 4.06Å; P49-F133 HydrophobicContact CB-CZ 4.36Å; E53-F133 HydrophobicContact CG-CE1 4.32Å; E53-F133 WeakPolarHBondContact OE1-CZ 3.25Å; L55-F133 HydrophobicContact CD2-CB 4.28Å; L55-F133 HydrophobicContact CD2-CD1 3.92Å; P56-F133 HydrophobicContact CG-CD2 4.38Å; P56-F133 HydrophobicContact CG-CE1 4.41Å; P56-F133 HydrophobicContact CG-CE2 4.11Å; P56-F133 HydrophobicContact CG-CZ 4.13Å; I86-F133 HydrophobicContact CD1-CB 4.37Å; F102-F133 WeakPolarHBondContact CE1-O 3.29Å; F102-F133 HydrophobicContact CZ-CB 4.46Å; L122-F133 HydrophobicContact CD2-CB 4.27Å; L122-F133 PolarHBondContact O-N 2.86Å; C124-F133 HydrophobicContact CB-CD2 3.88Å; C124-F133 HydrophobicContact CB-CE2 4.1Å; V126-F133 HydrophobicContact CG2-CE2 3.87Å; V126-F133 HydrophobicContact CG2-CZ 4.32Å; V131-F133 HydrophobicContact CB-CD2 4.31Å; V131-F133 HydrophobicContact CB-CE2 3.82Å; V131-F133 HydrophobicContact CG1-CD2 4.15Å; V131-F133 HydrophobicContact CG1-CE2 3.7Å; V131-F133 HydrophobicContact CG1-CZ 4.16Å; V131-F133 PolarHBondContact O-N 3.28Å; F133-V154 WeakPolarHBondContact O-CB 3.38Å; F133-V154 PolarHBondContact O-N 3.42Å; F133-P155 HydrophobicContact CD1-CG 3.74Å; F133-P155 HydrophobicContact CE1-CG 4.2Å; F133-P155 WeakPolarHBondContact O-CD 3.1Å
134G98.8Very high94.6Very high0 Ų034.9 Ų34.90%020%0.198CC..EExtended strand (participates in β ladder)trans-134.1157.5-175.400000114.7L122 Q132 A152L122-G134 PolarHBondContact N-O 3.46Å; L122-G134 PolarHBondContact O-N 2.92Å; Q132-G134 WeakPolarHBondContact CG-O 3.27Å; Q132-G134 PolarHBondContact NE2-O 3.13Å; G134-A152 WeakPolarHBondContact CA-O 3.37Å
135V98.9Very high94.3Very high0 Ų039.1 Ų39.10%022%0.224CC..EExtended strand (participates in β ladder)trans-119.4127.6164.2176.90000107.7G120 S137 Y151 A152 V154 L344 A346G120-V135 WeakPolarHBondContact O-CA 3.47Å; V135-S137 PolarHBondContact O-N 2.88Å; V135-S137 VanDerWaalsContact O-N 3.17Å; V135-Y151 CarbonylContact O-C 3.53Å; V135-Y151 WeakPolarHBondContact O-CA 3.38Å; V135-Y151 WeakPolarHBondContact O-CB 3.13Å; V135-A152 HydrophobicContact CB-CB 4.22Å; V135-A152 PolarHBondContact N-O 2.98Å; V135-A152 PolarHBondContact O-N 3.36Å; V135-V154 HydrophobicContact CG2-CG2 3.82Å; V135-L344 HydrophobicContact CG2-CD1 4.26Å; V135-L344 HydrophobicContact CG2-CD2 4.14Å; V135-L344 HydrophobicContact CG2-CG 3.94Å; V135-A346 HydrophobicContact CG1-CB 3.9Å
136V98.3Very high94Very high6 Ų638.7 Ų38.74%0.03622%0.224CC..EExtended strand (participates in β ladder)trans-56.8119.2178177.60000109.3V63 D117 G119 G120 Y151V63-V136 HydrophobicContact CG1-CG2 3.61Å; D117-V136 HydrophobicContact CB-CG1 4.29Å; D117-V136 WeakPolarHBondContact O-CB 3.47Å; G119-V136 PolarHBondContact N-O 2.78Å; G120-V136 WeakPolarHBondContact O-CG2 3.4Å; G120-V136 PolarHBondContact O-N 3.28Å; V136-Y151 HydrophobicContact CB-CE1 4.41Å; V136-Y151 HydrophobicContact CG2-CD1 4.19Å; V136-Y151 HydrophobicContact CG2-CE1 3.74Å
137S96.7Very high93.8Very high8 Ų842.1 Ų42.16%0.05623%0.234CC..EExtended strand (participates in β ladder)trans-114.3-72.6-174-179.40000111.9D27 V135 V150 H348D27-S137 WeakPolarHBondContact CB-OG 3.4Å; D27-S137 WeakPolarHBondContact OD2-CA 3.32Å; D27-S137 VanDerWaalsContact OD2-CB 3.23Å; D27-S137 WeakPolarHBondContact OD2-CB 3.28Å; D27-S137 PolarHBondContact OD2-OG 3.26Å; V135-S137 PolarHBondContact O-N 2.88Å; V135-S137 VanDerWaalsContact O-N 3.17Å; S137-V150 WeakPolarHBondContact CB-O 3.22Å; S137-V150 PolarHBondContact N-O 2.89Å; S137-V150 VanDerWaalsContact N-O 3.07Å; S137-H348 PolarHBondContact O-CE1 3.39Å; S137-H348 VanDerWaalsContact O-CE1 3.26Å
138F94.5Very high93.8Very high51 Ų5134.9 Ų34.922%0.22420%0.196CC..EExtended strand (participates in β ladder)trans-151.8174.3-177.472.9-85.7000112.5N24 M101 V150N24-F138 HydrophobicContact CB-CD1 3.54Å; N24-F138 HydrophobicContact CB-CE1 3.66Å; N24-F138 HydrophobicContact CB-CG 4.35Å; M101-F138 HydrophobicContact SD-CE1 4.06Å; M101-F138 HydrophobicContact SD-CZ 4.24Å; F138-V150 HydrophobicContact CD1-CB 3.97Å; F138-V150 HydrophobicContact CD1-CG1 4.02Å; F138-V150 HydrophobicContact CD2-CB 4.35Å; F138-V150 HydrophobicContact CD2-CG2 4.33Å; F138-V150 HydrophobicContact CE1-CB 3.74Å; F138-V150 HydrophobicContact CE1-CG1 3.4Å; F138-V150 HydrophobicContact CE1-CG2 4.28Å; F138-V150 HydrophobicContact CE2-CB 4.13Å; F138-V150 HydrophobicContact CE2-CG1 4.45Å; F138-V150 HydrophobicContact CE2-CG2 3.86Å; F138-V150 HydrophobicContact CG-CB 4.27Å; F138-V150 HydrophobicContact CZ-CB 3.83Å; F138-V150 HydrophobicContact CZ-CG1 3.66Å; F138-V150 HydrophobicContact CZ-CG2 3.84Å; F138-V150 PolarHBondContact N-O 3.12Å; F138-V150 WeakPolarHBondContact O-CA 3.41Å; F138-V150 WeakPolarHBondContact O-CB 3.33Å; F138-V150 PolarHBondContact O-N 2.03Å
139G90.4Very high93.9Very high34 Ų3432.8 Ų32.835%0.35118%0.175SC..  trans-166.2167.3175.500000111
140V89.2Confident94Very high57 Ų5729.7 Ų29.735%0.34516%0.161SC..SBendtrans-97.898.6171.9-178.80000108.2R144 Y147V140-R144 WeakPolarHBondContact O-CD 3.03Å; V140-Y147 HydrophobicContact CB-CD1 3.67Å; V140-Y147 HydrophobicContact CB-CE1 4.29Å; V140-Y147 HydrophobicContact CB-CG 3.95Å; V140-Y147 HydrophobicContact CG1-CD1 4.11Å; V140-Y147 HydrophobicContact CG1-CE1 4.32Å; V140-Y147 HydrophobicContact CG1-CG 4.3Å; V140-Y147 HydrophobicContact CG2-CD1 3.86Å; V140-Y147 HydrophobicContact CG2-CE1 4.28Å
141G88.5Confident94Very high21 Ų2128.6 Ų28.622%0.21616%0.157CC..SBendtrans67.9-158.1-167.700000111.7E71E71-G141 VanDerWaalsContact CD-CA 3.43Å; E71-G141 WeakPolarHBondContact OE2-CA 3.35Å
142C89.5Confident94Very high10 Ų1028.1 Ų28.17%0.06815%0.154CC..SBendtrans-127.1127.1173.5-54.70000110.2E71 C114 Q115 R144 V299E71-C142 HydrophobicContact CB-CB 4.07Å; E71-C142 HydrophobicContact CG-CB 4.49Å; E71-C142 PolarHBondContact OE2-N 2.84Å; E71-C142 VanDerWaalsContact OE2-N 3.15Å; C114-C142 WeakPolarHBondContact CA-SG 3.29Å; C114-C142 HydrophobicContact CB-CB 3.8Å; C114-C142 WeakPolarHBondContact CB-SG 3.46Å; C114-C142 WeakPolarHBondContact SG-CB 3.23Å; C114-C142 CovalentContact SG-SG 2.04Å; C114-C142 PolarHBondContact SG-SG 3.04Å; Q115-C142 PolarHBondContact NE2-SG 2.82Å; C142-R144 PolarHBondContact O-N 2.83Å; C142-R144 VanDerWaalsContact O-N 3.16Å; C142-V299 HydrophobicContact CB-CG2 4Å
143A88Confident94Very high13 Ų1329.2 Ų29.211%0.10716%0.16CC..SBendtrans56.331.3174.800000114.3G109 G110 D112 V299G109-A143 CarbonylContact C-O 3.55Å; G109-A143 VanDerWaalsContact CA-O 3.31Å; G109-A143 WeakPolarHBondContact CA-O 3.39Å; G110-A143 PolarHBondContact N-O 3.28Å; D112-A143 VanDerWaalsContact CB-CA 3.48Å; D112-A143 HydrophobicContact CB-CB 3.58Å; D112-A143 PolarHBondContact OD2-N 2.76Å; A143-V299 HydrophobicContact CB-CB 3.65Å; A143-V299 HydrophobicContact CB-CG1 3.32Å; A143-V299 HydrophobicContact CB-CG2 4.27Å
144R90.5Very high94Very high111 Ų11129.2 Ų29.242%0.41916%0.159SC..BIsolated β-bridgetrans-75.9146.9175.7-64.6-173-178.8-176.9-3.1110E71 V140 C142 N146 Y147E71-R144 IonicContact OE1-CZ 3.47Å; E71-R144 IonicContact OE1-NE 3.65Å; E71-R144 IonicContact OE1-NH2 2.62Å; E71-R144 PolarHBondContact OE1-NH2 3.42Å; E71-R144 IonicContact OE2-CZ 3.43Å; E71-R144 IonicContact OE2-NE 2.79Å; E71-R144 PolarHBondContact OE2-NE 3.49Å; E71-R144 IonicContact OE2-NH2 3.32Å; E71-R144 PolarHBondContact OE2-NH2 2.76Å; V140-R144 WeakPolarHBondContact O-CD 3.03Å; C142-R144 PolarHBondContact O-N 2.83Å; C142-R144 VanDerWaalsContact O-N 3.16Å; R144-N146 PolarHBondContact O-N 3.18Å; R144-Y147 HydrophobicContact CB-CD2 4.24Å; R144-Y147 PolarHBondContact O-N 2.75Å; R144-Y147 VanDerWaalsContact O-N 3.14Å
145V90Very high94Very high89 Ų8929.2 Ų29.254%0.53916%0.159SC..THydrogen-bonded Turntrans-56.3134.5173.7-176.60000109.2V107 Y147V107-V145 WeakPolarHBondContact O-CG1 3.49Å; V145-Y147 VanDerWaalsContact O-CD2 3.25Å; V145-Y147 WeakPolarHBondContact O-CD2 3.05Å; V145-Y147 PolarHBondContact O-N 3.08Å
146N90.2Very high94Very high75 Ų7530.5 Ų30.540%0.40117%0.171SC..THydrogen-bonded Turntrans63.56.1-177.6-57.8-52.2000116.7V107 R144V107-N146 WeakPolarHBondContact CG1-OD1 3.06Å; V107-N146 PolarHBondContact O-N 3.04Å; R144-N146 PolarHBondContact O-N 3.18Å
147Y91Very high94Very high105 Ų10530.5 Ų30.541%0.41217%0.17SC..BIsolated β-bridgetrans-127.274.8178-64.9-77.7000110.3V140 R144 V145V140-Y147 HydrophobicContact CB-CD1 3.67Å; V140-Y147 HydrophobicContact CB-CE1 4.29Å; V140-Y147 HydrophobicContact CB-CG 3.95Å; V140-Y147 HydrophobicContact CG1-CD1 4.11Å; V140-Y147 HydrophobicContact CG1-CE1 4.32Å; V140-Y147 HydrophobicContact CG1-CG 4.3Å; V140-Y147 HydrophobicContact CG2-CD1 3.86Å; V140-Y147 HydrophobicContact CG2-CE1 4.28Å; R144-Y147 HydrophobicContact CB-CD2 4.24Å; R144-Y147 PolarHBondContact O-N 2.75Å; R144-Y147 VanDerWaalsContact O-N 3.14Å; V145-Y147 VanDerWaalsContact O-CD2 3.25Å; V145-Y147 WeakPolarHBondContact O-CD2 3.05Å; V145-Y147 PolarHBondContact O-N 3.08Å
148P93.5Very high94.1Very high6 Ų630.9 Ų30.94%0.03917%0.172CC..  trans-66.6162.8173.931.5-37.9000111.7M87 C103M87-P148 HydrophobicContact CE-CG 4.34Å; M87-P148 HydrophobicContact SD-CB 3.58Å; M87-P148 VanDerWaalsContact SD-CB 3.58Å; M87-P148 HydrophobicContact SD-CG 3.69Å; C103-P148 HydrophobicContact CB-CB 4.27Å; C103-P148 HydrophobicContact CB-CG 3.8Å; C103-P148 VanDerWaalsContact SG-CG 3.54Å
149G94.9Very high94.2Very high0 Ų033.4 Ų33.40%019%0.187CC..EExtended strand (participates in β ladder)trans-65.1145.617300000112C103 A104 D112 Y151C103-G149 WeakPolarHBondContact CA-O 3.36Å; A104-G149 PolarHBondContact N-O 3.4Å; A104-G149 VanDerWaalsContact N-O 3.12Å; A104-G149 PolarHBondContact O-N 3.14Å; D112-G149 WeakPolarHBondContact OD1-CA 2.94Å; D112-G149 PolarHBondContact OD1-N 2.95Å; G149-Y151 VanDerWaalsContact O-CE2 3.28Å; G149-Y151 WeakPolarHBondContact O-CE2 3.37Å
150V96.6Very high94.6Very high0 Ų033 Ų330%018%0.175CC..EExtended strand (participates in β ladder)trans-110135.3178-175.60000109.8V95 M101 F102 S137 F138V95-V150 HydrophobicContact CG2-CB 4.48Å; V95-V150 HydrophobicContact CG2-CG1 3.56Å; V95-V150 HydrophobicContact CG2-CG2 4.08Å; M101-V150 HydrophobicContact CB-CG1 4.06Å; M101-V150 HydrophobicContact SD-CG1 4.14Å; F102-V150 WeakPolarHBondContact O-CA 3.23Å; S137-V150 WeakPolarHBondContact CB-O 3.22Å; S137-V150 PolarHBondContact N-O 2.89Å; S137-V150 VanDerWaalsContact N-O 3.07Å; F138-V150 HydrophobicContact CD1-CB 3.97Å; F138-V150 HydrophobicContact CD1-CG1 4.02Å; F138-V150 HydrophobicContact CD2-CB 4.35Å; F138-V150 HydrophobicContact CD2-CG2 4.33Å; F138-V150 HydrophobicContact CE1-CB 3.74Å; F138-V150 HydrophobicContact CE1-CG1 3.4Å; F138-V150 HydrophobicContact CE1-CG2 4.28Å; F138-V150 HydrophobicContact CE2-CB 4.13Å; F138-V150 HydrophobicContact CE2-CG1 4.45Å; F138-V150 HydrophobicContact CE2-CG2 3.86Å; F138-V150 HydrophobicContact CG-CB 4.27Å; F138-V150 HydrophobicContact CZ-CB 3.83Å; F138-V150 HydrophobicContact CZ-CG1 3.66Å; F138-V150 HydrophobicContact CZ-CG2 3.84Å; F138-V150 PolarHBondContact N-O 3.12Å; F138-V150 WeakPolarHBondContact O-CA 3.41Å; F138-V150 WeakPolarHBondContact O-CB 3.33Å; F138-V150 PolarHBondContact O-N 2.03Å
151Y98.5Very high95.1Very high0 Ų030.2 Ų30.20%016%0.159CC..EExtended strand (participates in β ladder)trans-124.9143.3-173.8-57.2-96.3000110.4V63 M101 F102 A104 L122 V135 V136 G149V63-Y151 HydrophobicContact CG1-CE1 4.32Å; V63-Y151 HydrophobicContact CG2-CE1 3.75Å; V63-Y151 WeakPolarHBondContact CG2-OH 3.41Å; M101-Y151 CarbonylContact C-O 3.52Å; M101-Y151 WeakPolarHBondContact CA-O 3.45Å; M101-Y151 WeakPolarHBondContact CB-O 3.09Å; F102-Y151 HydrophobicContact CE2-CD2 4.39Å; F102-Y151 HydrophobicContact CZ-CG 4.32Å; F102-Y151 PolarHBondContact N-O 3.2Å; F102-Y151 PolarHBondContact O-N 2.85Å; A104-Y151 HydrophobicContact CB-CD2 3.97Å; A104-Y151 HydrophobicContact CB-CE2 3.57Å; L122-Y151 HydrophobicContact CB-CD1 3.86Å; L122-Y151 HydrophobicContact CB-CE1 3.99Å; L122-Y151 HydrophobicContact CD1-CD1 3.87Å; L122-Y151 HydrophobicContact CD1-CD2 4.06Å; L122-Y151 HydrophobicContact CD1-CE1 3.68Å; L122-Y151 HydrophobicContact CD1-CE2 3.9Å; L122-Y151 HydrophobicContact CD1-CG 4.07Å; L122-Y151 HydrophobicContact CG-CE1 4.46Å; V135-Y151 CarbonylContact O-C 3.53Å; V135-Y151 WeakPolarHBondContact O-CA 3.38Å; V135-Y151 WeakPolarHBondContact O-CB 3.13Å; V136-Y151 HydrophobicContact CB-CE1 4.41Å; V136-Y151 HydrophobicContact CG2-CD1 4.19Å; V136-Y151 HydrophobicContact CG2-CE1 3.74Å; G149-Y151 VanDerWaalsContact O-CE2 3.28Å; G149-Y151 WeakPolarHBondContact O-CE2 3.37Å
152A98.5Very high95.5Very high3 Ų331.4 Ų31.43%0.02516%0.162CC..EExtended strand (participates in β ladder)trans-68135.8167.800000109.9D27 G134 V135 V154D27-A152 HydrophobicContact CB-CB 4.41Å; D27-A152 WeakPolarHBondContact O-CB 3.45Å; G134-A152 WeakPolarHBondContact CA-O 3.37Å; V135-A152 HydrophobicContact CB-CB 4.22Å; V135-A152 PolarHBondContact N-O 2.98Å; V135-A152 PolarHBondContact O-N 3.36Å; A152-V154 PolarHBondContact O-N 2.84Å; A152-V154 VanDerWaalsContact O-N 3.12Å
153H98.3Very high95.9Very high24 Ų2436 Ų3611%0.11118%0.182CC..EExtended strand (participates in β ladder)trans-81.986-171.7-171.8-159.6000111.9L55 E99 V100 F102 P155 A156 Y157L55-H153 WeakPolarHBondContact CD2-NE2 3.21Å; L55-H153 WeakPolarHBondContact CG-NE2 3.18Å; E99-H153 PolarHBondContact O-ND1 3.14Å; V100-H153 WeakPolarHBondContact O-CB 3.46Å; V100-H153 PolarHBondContact O-N 2.04Å; F102-H153 HydrophobicContact CD1-CB 3.97Å; F102-H153 AromaticContact CD1-CD2 3.99Å; H153-P155 VanDerWaalsContact C-CD 3.48Å; H153-A156 HydrophobicContact CB-CB 4.48Å; H153-A156 VanDerWaalsContact O-CB 3.32Å; H153-A156 WeakPolarHBondContact O-CB 3.13Å; H153-A156 PolarHBondContact O-N 3.46Å; H153-Y157 WeakPolarHBondContact O-CD2 3.41Å; H153-Y157 VanDerWaalsContact O-CE2 3.3Å; H153-Y157 WeakPolarHBondContact O-CE2 2.96Å
154V98.9Very high96.4Very high0 Ų039.2 Ų39.20%019%0.191CC..G310 helixtrans-51.2-43.8-172.8177.20000114.2L48 P49 Q132 F133 V135 A152 A156 Y157 L344L48-V154 HydrophobicContact CD2-CG1 4.12Å; P49-V154 HydrophobicContact CG-CB 4.46Å; P49-V154 HydrophobicContact CG-CG1 3.98Å; Q132-V154 HydrophobicContact CG-CG2 4.45Å; Q132-V154 WeakPolarHBondContact O-CB 3.01Å; Q132-V154 WeakPolarHBondContact O-CG1 3.35Å; F133-V154 WeakPolarHBondContact O-CB 3.38Å; F133-V154 PolarHBondContact O-N 3.42Å; V135-V154 HydrophobicContact CG2-CG2 3.82Å; A152-V154 PolarHBondContact O-N 2.84Å; A152-V154 VanDerWaalsContact O-N 3.12Å; V154-A156 PolarHBondContact O-N 2.91Å; V154-A156 VanDerWaalsContact O-N 3.11Å; V154-Y157 PolarHBondContact O-N 3.3Å; V154-L344 HydrophobicContact CG1-CD2 4.18Å; V154-L344 HydrophobicContact CG2-CD2 4.15Å
155P98.7Very high96.7Very high0 Ų034.1 Ų34.10%017%0.173CC..G310 helixtrans-49.4-34.1174.6-29.132.7000115.1P49 Q51 N52 E53 F133 H153 Y157P49-P155 HydrophobicContact CB-CG 4.03Å; P49-P155 HydrophobicContact CG-CB 4.26Å; P49-P155 HydrophobicContact CG-CG 3.71Å; Q51-P155 PolarHBondContact NE2-O 2.78Å; N52-P155 PolarHBondContact N-O 2.83Å; E53-P155 HydrophobicContact CB-CB 4.4Å; E53-P155 WeakPolarHBondContact O-CB 3.35Å; F133-P155 HydrophobicContact CD1-CG 3.74Å; F133-P155 HydrophobicContact CE1-CG 4.2Å; F133-P155 WeakPolarHBondContact O-CD 3.1Å; H153-P155 VanDerWaalsContact C-CD 3.48Å; P155-Y157 PolarHBondContact O-N 2.97Å
156A98.5Very high97Very high28 Ų2837.8 Ų37.823%0.23118%0.182CC..G310 helixtrans-68.6-18.5179.400000113.1Q51 E99 H153 V154Q51-A156 PolarHBondContact NE2-O 3.07Å; Q51-A156 VanDerWaalsContact NE2-O 3.11Å; E99-A156 WeakPolarHBondContact O-CB 3.39Å; H153-A156 HydrophobicContact CB-CB 4.48Å; H153-A156 VanDerWaalsContact O-CB 3.32Å; H153-A156 WeakPolarHBondContact O-CB 3.13Å; H153-A156 PolarHBondContact O-N 3.46Å; V154-A156 PolarHBondContact O-N 2.91Å; V154-A156 VanDerWaalsContact O-N 3.11Å
157Y98.7Very high97.3Very high6 Ų640.2 Ų40.22%0.02419%0.192CC..G310 helixtrans-115.44.2-171-55.4-79.5000114.9H17 N26 I28 V100 H153 V154 P155 D159 W160 L161H17-Y157 AromaticContact CD2-CD1 3.99Å; H17-Y157 AromaticContact CD2-CE1 3.63Å; N26-Y157 VanDerWaalsContact CA-OH 3.29Å; N26-Y157 WeakPolarHBondContact CA-OH 3.43Å; N26-Y157 HydrophobicContact CB-CE1 4.44Å; N26-Y157 PolarHBondContact OD1-OH 2.06Å; N26-Y157 VanDerWaalsContact OD1-OH 3.11Å; I28-Y157 HydrophobicContact CD1-CD2 3.6Å; I28-Y157 HydrophobicContact CD1-CE2 4.42Å; I28-Y157 HydrophobicContact CD1-CG 3.71Å; I28-Y157 HydrophobicContact CG2-CD1 3.78Å; I28-Y157 HydrophobicContact CG2-CD2 4.17Å; I28-Y157 HydrophobicContact CG2-CE1 3.89Å; I28-Y157 HydrophobicContact CG2-CE2 4.28Å; I28-Y157 HydrophobicContact CG2-CG 3.92Å; V100-Y157 WeakPolarHBondContact CB-OH 3.39Å; V100-Y157 WeakPolarHBondContact CG1-OH 3.26Å; V100-Y157 PolarHBondContact O-OH 3.13Å; H153-Y157 WeakPolarHBondContact O-CD2 3.41Å; H153-Y157 VanDerWaalsContact O-CE2 3.3Å; H153-Y157 WeakPolarHBondContact O-CE2 2.96Å; V154-Y157 PolarHBondContact O-N 3.3Å; P155-Y157 PolarHBondContact O-N 2.97Å; Y157-D159 VanDerWaalsContact C-N 3.3Å; Y157-D159 PolarHBondContact O-N 2.9Å; Y157-W160 CarbonylContact O-C 3.32Å; Y157-W160 WeakPolarHBondContact O-CA 3.31Å; Y157-W160 WeakPolarHBondContact O-CB 3.25Å; Y157-W160 PolarHBondContact O-N 2.98Å; Y157-L161 VanDerWaalsContact O-CG 3.31Å; Y157-L161 WeakPolarHBondContact O-CG 3.45Å; Y157-L161 PolarHBondContact O-N 3.29Å
158V98.7Very high97.6Very high16 Ų1635.9 Ų35.910%0.09718%0.176CC..Hα-helixtrans-58.6-41.2-173.8178.10000112.2P49 Q51 L161 T162P49-V158 HydrophobicContact CG-CG2 4.1Å; P49-V158 WeakPolarHBondContact O-CG2 3.46Å; Q51-V158 HydrophobicContact CB-CB 4.29Å; Q51-V158 VanDerWaalsContact OE1-N 3.07Å; V158-L161 PolarHBondContact O-N 3.11Å; V158-T162 WeakPolarHBondContact O-CB 3.22Å; V158-T162 PolarHBondContact O-N 2.93Å; V158-T162 PolarHBondContact O-OG1 3.4Å
159D98.2Very high97.8Very high103 Ų10342 Ų4255%0.55120%0.199SC*.Hα-helixtrans-67.5-41.1175.6-79.1-9.9000111.4Q51 Y157 T162 Q163Q51-D159 HydrophobicContact CG-CB 4.5Å; Q51-D159 WeakPolarHBondContact CG-OD2 3.25Å; Y157-D159 VanDerWaalsContact C-N 3.3Å; Y157-D159 PolarHBondContact O-N 2.9Å; D159-T162 PolarHBondContact O-N 2.76Å; D159-Q163 WeakPolarHBondContact O-CB 3.26Å; D159-Q163 PolarHBondContact O-N 2.85Å
160W98.4Very high97.8Very high25 Ų2546.5 Ų46.510%0.09523%0.227CC..Hα-helixtrans-62-47174.517684.5000111.1V15 H17 I28 L30 Y157 T162 Q163 R164V15-W160 HydrophobicContact CG1-CH2 4.16Å; V15-W160 HydrophobicContact CG1-CZ2 4.08Å; V15-W160 HydrophobicContact CG2-CZ2 4.3Å; H17-W160 HydrophobicContact CB-CD2 3.94Å; H17-W160 HydrophobicContact CB-CE3 4.3Å; H17-W160 HydrophobicContact CB-CH2 3.99Å; H17-W160 HydrophobicContact CB-CZ2 3.58Å; H17-W160 HydrophobicContact CB-CZ3 4.31Å; H17-W160 AromaticContact CE1-CD1 3.72Å; H17-W160 AromaticContact CE1-NE1 3.97Å; H17-W160 AromaticContact CG-CE2 3.87Å; H17-W160 AromaticContact CG-NE1 3.79Å; H17-W160 AromaticContact ND1-CD1 3.15Å; H17-W160 AromaticContact ND1-CD2 3.97Å; H17-W160 AromaticContact ND1-CE2 3.57Å; H17-W160 AromaticContact ND1-CG 3.75Å; H17-W160 AromaticContact ND1-NE1 3.01Å; H17-W160 PolarHBondContact ND1-NE1 3.03Å; I28-W160 HydrophobicContact CG1-CZ3 4.48Å; I28-W160 HydrophobicContact CG2-CZ3 4.22Å; L30-W160 HydrophobicContact CB-CH2 4.37Å; L30-W160 HydrophobicContact CB-CZ3 4.36Å; Y157-W160 CarbonylContact O-C 3.32Å; Y157-W160 WeakPolarHBondContact O-CA 3.31Å; Y157-W160 WeakPolarHBondContact O-CB 3.25Å; Y157-W160 PolarHBondContact O-N 2.98Å; W160-T162 VanDerWaalsContact C-N 3.29Å; W160-T162 PolarHBondContact O-N 3.08Å; W160-Q163 PolarHBondContact O-N 3.26Å; W160-R164 HydrophobicContact CD2-CG 4Å; W160-R164 VanDerWaalsContact CE2-CG 3.45Å; W160-R164 HydrophobicContact CG-CG 4.23Å; W160-R164 HydrophobicContact CZ2-CB 4.47Å; W160-R164 HydrophobicContact CZ2-CG 3.81Å; W160-R164 WeakPolarHBondContact O-CB 3.16Å; W160-R164 VanDerWaalsContact O-CG 3.29Å; W160-R164 WeakPolarHBondContact O-CG 3.29Å; W160-R164 PolarHBondContact O-N 2.76Å
161L98.7Very high97.8Very high0 Ų047.7 Ų47.70%024%0.236CC..Hα-helixtrans-56.6-45.8175-68.8171.1000110.5I28 L30 L48 Y157 V158 R164 A165 L344I28-L161 HydrophobicContact CD1-CD1 4.41Å; I28-L161 HydrophobicContact CD1-CD2 4.36Å; L30-L161 HydrophobicContact CB-CD2 4.11Å; L30-L161 HydrophobicContact CD1-CD2 4.15Å; L30-L161 HydrophobicContact CG-CD2 4.5Å; L48-L161 HydrophobicContact CD1-CD1 4.5Å; L48-L161 HydrophobicContact CD2-CD1 4.25Å; Y157-L161 VanDerWaalsContact O-CG 3.31Å; Y157-L161 WeakPolarHBondContact O-CG 3.45Å; Y157-L161 PolarHBondContact O-N 3.29Å; V158-L161 PolarHBondContact O-N 3.11Å; L161-R164 PolarHBondContact O-N 2.61Å; L161-A165 VanDerWaalsContact O-CB 3.27Å; L161-A165 WeakPolarHBondContact O-CB 2.96Å; L161-A165 PolarHBondContact O-N 2.85Å; L161-L344 HydrophobicContact CD1-CD1 4.38Å; L161-L344 HydrophobicContact CD1-CD2 4.43Å; L161-L344 HydrophobicContact CD2-CD1 3.89Å
162T98.1Very high97.5Very high45 Ų4550.8 Ų50.828%0.27626%0.257SS..Hα-helixtrans-64.4-42.8179.9-59.50000112.4V158 D159 W160V158-T162 WeakPolarHBondContact O-CB 3.22Å; V158-T162 PolarHBondContact O-N 2.93Å; V158-T162 PolarHBondContact O-OG1 3.4Å; D159-T162 PolarHBondContact O-N 2.76Å; W160-T162 VanDerWaalsContact C-N 3.29Å; W160-T162 PolarHBondContact O-N 3.08Å
163Q97.9Very high97Very high107 Ų10753.6 Ų53.650%0.529%0.287SS..Hα-helixtrans-65.7-49.1177.3-178.7-175.880.500110.7D159 W160 K166D159-Q163 WeakPolarHBondContact O-CB 3.26Å; D159-Q163 PolarHBondContact O-N 2.85Å; W160-Q163 PolarHBondContact O-N 3.26Å; Q163-K166 PolarHBondContact O-N 3.47Å
164R97.8Very high96.3Very high80 Ų8055.6 Ų55.630%0.30230%0.301SS..Hα-helixtrans-72.7-32.1-174.1-65.5-49.8169.5166.3-2113.5V15 L30 W160 L161 K166 M167 L168V15-R164 HydrophobicContact CG1-CB 3.85Å; V15-R164 HydrophobicContact CG1-CG 4.24Å; L30-R164 HydrophobicContact CD2-CB 4.4Å; W160-R164 HydrophobicContact CD2-CG 4Å; W160-R164 VanDerWaalsContact CE2-CG 3.45Å; W160-R164 HydrophobicContact CG-CG 4.23Å; W160-R164 HydrophobicContact CZ2-CB 4.47Å; W160-R164 HydrophobicContact CZ2-CG 3.81Å; W160-R164 WeakPolarHBondContact O-CB 3.16Å; W160-R164 VanDerWaalsContact O-CG 3.29Å; W160-R164 WeakPolarHBondContact O-CG 3.29Å; W160-R164 PolarHBondContact O-N 2.76Å; L161-R164 PolarHBondContact O-N 2.61Å; R164-K166 PolarHBondContact O-N 3.39Å; R164-M167 PolarHBondContact NH1-SD 3.21Å; R164-M167 VanDerWaalsContact NH1-SD 3.42Å; R164-M167 PolarHBondContact O-N 3.03Å; R164-L168 PolarHBondContact O-N 2.91Å; R164-L168 VanDerWaalsContact O-N 3.08Å
165A97.6Very high95.3Very high4 Ų456 Ų563%0.03330%0.303CS..Hα-helixtrans-54.7-36.5171.800000112.5L30 R32 L161 M167 L334 L342L30-A165 HydrophobicContact CD2-CB 3.85Å; R32-A165 PolarHBondContact NH2-O 3Å; L161-A165 VanDerWaalsContact O-CB 3.27Å; L161-A165 WeakPolarHBondContact O-CB 2.96Å; L161-A165 PolarHBondContact O-N 2.85Å; A165-M167 VanDerWaalsContact C-N 3.28Å; A165-M167 PolarHBondContact O-N 3.45Å; A165-L334 HydrophobicContact CB-CD1 3.19Å; A165-L342 HydrophobicContact CB-CD1 3.88Å; A165-L342 HydrophobicContact CB-CD2 4.4Å
166K96.3Very high94Very high167 Ų16760.3 Ų60.373%0.72632%0.324SS*.THydrogen-bonded Turntrans-72.5-20.7178.2-62173.3-172.5173.20113.4Q163 R164Q163-K166 PolarHBondContact O-N 3.47Å; R164-K166 PolarHBondContact O-N 3.39Å
167M95.6Very high92.3Very high125 Ų12559.8 Ų59.862%0.61632%0.318SS*.THydrogen-bonded Turntrans-93.8-28.8-177.1-62.8-179.169.300113R164 A165R164-M167 PolarHBondContact NH1-SD 3.21Å; R164-M167 VanDerWaalsContact NH1-SD 3.42Å; R164-M167 PolarHBondContact O-N 3.03Å; A165-M167 VanDerWaalsContact C-N 3.28Å; A165-M167 PolarHBondContact O-N 3.45Å
168L97Very high90.4Very high14 Ų1463.2 Ų63.27%0.07336%0.355CS..SBendtrans-62.7143.7175.2-67.8177.2000110.8D13 V15 L30 R32 R164D13-L168 HydrophobicContact CB-CB 4.31Å; D13-L168 HydrophobicContact CB-CD2 4.04Å; V15-L168 HydrophobicContact CB-CD2 4.1Å; V15-L168 HydrophobicContact CG1-CD1 4.29Å; V15-L168 HydrophobicContact CG1-CD2 3.96Å; V15-L168 HydrophobicContact CG1-CG 4.31Å; L30-L168 HydrophobicContact CB-CD1 4.5Å; L30-L168 HydrophobicContact CD2-CD1 3.98Å; L30-L168 HydrophobicContact CG-CD1 3.99Å; R32-L168 HydrophobicContact CB-CB 4.15Å; R32-L168 HydrophobicContact CB-CD1 3.97Å; R164-L168 PolarHBondContact O-N 2.91Å; R164-L168 VanDerWaalsContact O-N 3.08Å
169R97.1Very high88.3Confident136 Ų13668 Ų6851%0.51338%0.376SS..PPolyproline II helixtrans-56126176.9-72.7179.6-74.7142.71.3110.3K12 D13 R32K12-R169 HydrophobicContact CG-CB 4.45Å; K12-R169 PolarHBondContact O-NH2 3.18Å; D13-R169 HydrophobicContact CB-CB 4.2Å; D13-R169 IonicContact OD1-CZ 2.73Å; D13-R169 IonicContact OD1-NE 3.22Å; D13-R169 PolarHBondContact OD1-NE 3.32Å; D13-R169 IonicContact OD1-NH2 3.21Å; D13-R169 PolarHBondContact OD1-NH2 2.84Å; D13-R169 PolarHBondContact OD2-N 2.95Å; D13-R169 IonicContact OD2-NE 3.12Å; D13-R169 PolarHBondContact OD2-NE 3.42Å; R32-R169 WeakPolarHBondContact CG-O 3.31Å
170P95.6Very high85.7Confident93 Ų9371 Ų7160%0.60439%0.387SS*.PPolyproline II helixtrans-66.1149-171.627.5-35.9000112.2K12K12-P170 VanDerWaalsContact CD-O 3.3Å; K12-P170 WeakPolarHBondContact CD-O 3.47Å; K12-P170 WeakPolarHBondContact CE-O 3.4Å; K12-P170 PolarHBondContact NZ-O 2.7Å
171S96Very high83Confident26 Ų2672.6 Ų72.618%0.18240%0.401CS..PPolyproline II helixtrans-64.5158.3173.3-56.30000112.4R32 L33 D341R32-S171 WeakPolarHBondContact CD-OG 3.37Å; L33-S171 WeakPolarHBondContact O-CB 3.23Å; L33-S171 PolarHBondContact O-OG 3.08Å; S171-D341 WeakPolarHBondContact CB-OD2 3.25Å; S171-D341 WeakPolarHBondContact OG-CB 3.48Å; S171-D341 PolarHBondContact OG-OD2 2.88Å
172S92.7Very high80.3Confident64 Ų6477.6 Ų77.645%0.44843%0.433SS..  trans-107.4133.3175.9-57.50000109.9K12 E34 Q35K12-S172 PolarHBondContact NZ-OG 3.48Å; K12-S172 VanDerWaalsContact NZ-OG 3.14Å; E34-S172 PolarHBondContact O-N 2.85Å; Q35-S172 WeakPolarHBondContact CA-O 3.4Å; Q35-S172 WeakPolarHBondContact CB-O 3.49Å; Q35-S172 WeakPolarHBondContact CG-O 3.29Å
173G88.6Confident77.7Confident63 Ų6381.1 Ų81.165%0.64946%0.46SS*.SBendtrans53.3-157.3171.400000115.2A36A36-G173 PolarHBondContact N-O 3.44Å
174T82.7Confident74.8Confident65 Ų6579 Ų7940%0.39947%0.467SS..EExtended strand (participates in β ladder)trans-142.3139-179.256.70000111.8A36 M38A36-T174 HydrophobicContact CB-CG2 4.23Å; A36-T174 CarbonylContact O-C 3.58Å; A36-T174 WeakPolarHBondContact O-CA 3.39Å; M38-T174 HydrophobicContact CG-CG2 4.45Å; M38-T174 HydrophobicContact SD-CG2 3.69Å
175V79.4Confident71.8Confident8 Ų882.1 Ų82.15%0.04849%0.494CS..EExtended strand (participates in β ladder)trans-93.6118.1171.8179.50000110.1K7 V9 Q35 A36 M38K7-V175 HydrophobicContact CD-CG1 4.14Å; K7-V175 PolarHBondContact NZ-O 3.24Å; K7-V175 VanDerWaalsContact NZ-O 3.1Å; V9-V175 HydrophobicContact CG2-CG2 4.35Å; Q35-V175 HydrophobicContact CB-CG2 3.54Å; Q35-V175 HydrophobicContact CG-CG2 4.24Å; A36-V175 PolarHBondContact O-N 2.9Å; M38-V175 PolarHBondContact N-O 2.86Å
176Q70.8Confident68.5Low92 Ų9286.6 Ų86.643%0.4353%0.525SS..PPolyproline II helixtrans-78.5151.1175.1-58.2-167.217.900111.4K7 G178 E179 F258K7-Q176 WeakPolarHBondContact CE-O 3.35Å; K7-Q176 VanDerWaalsContact NZ-C 3.35Å; Q176-G178 PolarHBondContact O-N 3.04Å; Q176-E179 HydrophobicContact CB-CB 4.37Å; Q176-E179 PolarHBondContact O-N 3.08Å; Q176-F258 HydrophobicContact CB-CZ 4.33Å
177P62.7Low65.6Low16 Ų1684 Ų8410%0.10453%0.528CS..THydrogen-bonded Turntrans-51.5131.1165.6-21.332.9000111.6K7 E179 Q257 F258K7-P177 VanDerWaalsContact CE-N 3.28Å; P177-E179 VanDerWaalsContact C-N 3.28Å; P177-E179 PolarHBondContact O-N 2.8Å; P177-Q257 VanDerWaalsContact CB-CD 3.5Å; P177-Q257 HydrophobicContact CB-CG 4.24Å; P177-Q257 HydrophobicContact CG-CG 4.31Å; P177-F258 VanDerWaalsContact CD-CZ 3.48Å; P177-F258 HydrophobicContact CG-CD1 4.47Å; P177-F258 HydrophobicContact CG-CE1 3.77Å; P177-F258 HydrophobicContact CG-CZ 4.05Å
178G58.2Low62.5Low79 Ų7983.5 Ų83.581%0.81454%0.537SS*.THydrogen-bonded Turntrans82.8-8.9179.200000115.7Q176Q176-G178 PolarHBondContact O-N 3.04Å
179E55Low59.5Low116 Ų11685.8 Ų85.854%0.54256%0.564SS.*PPolyproline II helixtrans-86.9116.5176.3-163.9152.1-170.300110.3Q176 P177Q176-E179 HydrophobicContact CB-CB 4.37Å; Q176-E179 PolarHBondContact O-N 3.08Å; P177-E179 VanDerWaalsContact C-N 3.28Å; P177-E179 PolarHBondContact O-N 2.8Å
180E43.8Very low56.2Low166 Ų16687.2 Ų87.278%0.77658%0.58SS**PPolyproline II helixtrans-66.7137.9170.6-149.7171.1-15600108.3
181P41.6Very low52.8Low59 Ų5991.9 Ų91.938%0.38359%0.591SS.*PPolyproline II helixtrans-53.9140.7176.820.9-32.7000109.9S183P181-S183 PolarHBondContact O-N 2.97Å
182P42.5Very low49.6Very low104 Ų10497.2 Ų97.268%0.67562%0.623SS**PPolyproline II helixtrans-54.2119-178.717.9-29.2000109.8G184P182-G184 VanDerWaalsContact C-N 3.33Å; P182-G184 PolarHBondContact O-N 2.8Å
183S42.6Very low46.6Very low119 Ų11997.7 Ų97.783%0.83264%0.638SS**  trans-69.387.3179.638.80000109.6P181P181-S183 PolarHBondContact O-N 2.97Å
184G37.3Very low43.7Very low63 Ų63104.1 Ų104.165%0.64965%0.648SS**  trans73.9117.3163.500000114.9P182 S186P182-G184 VanDerWaalsContact C-N 3.33Å; P182-G184 PolarHBondContact O-N 2.8Å; G184-S186 PolarHBondContact O-N 3.48Å; G184-S186 VanDerWaalsContact O-N 3.1Å
185V33.8Very low41Very low146 Ų146106.5 Ų106.589%0.88567%0.665SS**  trans-57.5115.1149.8177.70000106.4S187V185-S187 PolarHBondContact O-N 3.04Å
186S29.2Very low38.7Very low97 Ų97112 Ų11268%0.67870%0.703SS**  trans-55.396.5177.3173.60000110.1G184 S188G184-S186 PolarHBondContact O-N 3.48Å; G184-S186 VanDerWaalsContact O-N 3.1Å; S186-S188 PolarHBondContact O-N 2.86Å; S186-S188 PolarHBondContact OG-OG 3.36Å
187S35Very low36.6Very low113 Ų113115.1 Ų115.179%0.7972%0.723SS**  trans-78.280.9167.459.60000108.3V185 G189V185-S187 PolarHBondContact O-N 3.04Å; S187-G189 PolarHBondContact O-N 3.35Å
188S31.1Very low35Very low114 Ų114120.9 Ų120.980%0.79776%0.758SS**  trans-70.870158.4-45.30000107.5S186S186-S188 PolarHBondContact O-N 2.86Å; S186-S188 PolarHBondContact OG-OG 3.36Å
189G33.1Very low33.4Very low62 Ų62128.6 Ų128.664%0.63976%0.763SS**  trans-130.398.4-179.200000108.2S187S187-G189 PolarHBondContact O-N 3.35Å
190I28.8Very low32.3Very low167 Ų167128.6 Ų128.686%0.85677%0.773SS**  trans-54.2135.8-174.5-73.4161.1000111.7
191F23.8Very low31.7Very low191 Ų191125.6 Ų125.684%0.83877%0.77SS**  trans-85.6112.3-177.8-147.3-91.9000109.4
192T29.4Very low31.1Very low137 Ų137129 Ų12984%0.8479%0.792SS**  trans-161108.1154.441.80000110.3
193G29.4Very low30.5Very low74 Ų74127.7 Ų127.776%0.76380%0.797SS**  trans159.285.7172.100000112
194F28.5Very low29.9Very low199 Ų199133.4 Ų133.487%0.87380%0.8SS**  trans-64150.2175.6-86.3-93.3000112.3
195P26Very low29.4Very low115 Ų115138.5 Ų138.575%0.74781%0.812SS**  trans-83.1143.4179.233.7-32000111.6
196S30.6Very low29.3Very low122 Ų122137.1 Ų137.185%0.85381%0.806SS**  trans-113.3121.9160-70.60000109
197D26.5Very low29.4Very low159 Ų159137.9 Ų137.985%0.8581%0.811SS**  trans-50.3138.8172.7-73.6-56.5000113
198T28.6Very low29.1Very low137 Ų137142.3 Ų142.384%0.8482%0.817SS**  trans-162.8109.1141.110.40000109.1P200T198-P200 WeakPolarHBondContact O-CD 3.29Å
199R24.9Very low29.3Very low241 Ų241142.5 Ų142.591%0.90982%0.815SS**  trans-98.5114.7172.6179.8-177.6-176.2-1323.4108.5
200P31.6Very low29.5Very low116 Ų116145.1 Ų145.175%0.75382%0.824SS**  trans-113.2145155.219.8-1.3000111.7T198T198-P200 WeakPolarHBondContact O-CD 3.29Å
201S31.1Very low29.6Very low103 Ų103147.9 Ų147.972%0.7282%0.824SS**PPolyproline II helixtrans-64.4169.4-171.4-58.20000115.4G203S201-G203 PolarHBondContact O-N 2.81Å
202P29.5Very low29.9Very low131 Ų131143.8 Ų143.885%0.85182%0.816SS**PPolyproline II helixtrans-78.5118.9-159.430.9-30.1000112.2
203G30Very low30.2Very low75 Ų75142.7 Ų142.777%0.77381%0.814SS**PPolyproline II helixtrans-83.1130.7171.200000111.9S201S201-G203 PolarHBondContact O-N 2.81Å
204R29.9Very low30.2Very low239 Ų239147.7 Ų147.790%0.90282%0.815SS**  trans-32.9125.5175.7-164.5176.3-145.9-116.63115.2P206R204-P206 WeakPolarHBondContact O-CD 3.46Å
205L26.5Very low30.6Very low170 Ų170143.7 Ų143.789%0.8981%0.809SS**  trans-49.8114.9170.5-73.5158.3000111.4
206P31.1Very low31.1Very low117 Ų117143.9 Ų143.976%0.7681%0.813SS**PPolyproline II helixtrans-82.5142.9167.5-6.726.1000110.3R204R204-P206 WeakPolarHBondContact O-CD 3.46Å
207S32.5Very low31Very low113 Ų113148 Ų14879%0.7981%0.81SS**PPolyproline II helixtrans-57.1138.4175.5330000112.7P209S207-P209 WeakPolarHBondContact O-CD 3.24Å
208F28.3Very low31.3Very low206 Ų206145.6 Ų145.690%0.90480%0.803SS**PPolyproline II helixtrans-53.5122.2177.8-67.6-85.9000112.1
209P35.2Very low31.6Very low118 Ų118144.6 Ų144.677%0.76680%0.802SS**PPolyproline II helixtrans-73142.616229-27.9000109.3S207S207-P209 WeakPolarHBondContact O-CD 3.24Å
210S37.4Very low31.7Very low117 Ų117140.8 Ų140.882%0.81879%0.792SS**PPolyproline II helixtrans-54.6137.5176.629.80000112.5
211R29.8Very low31.9Very low226 Ų226140.8 Ų140.885%0.85379%0.792SS**  trans-38.4120.2-179.5-165.5176-173.2-139.43.1113.3S213R211-S213 PolarHBondContact O-N 2.97Å
212P31.5Very low32.1Very low104 Ų104141.5 Ų141.568%0.67580%0.797SS**  trans-64.9134.5172.6-15.628.6000110.4F214P212-F214 PolarHBondContact O-N 3.37Å
213S34.8Very low32Very low114 Ų114145.9 Ų145.980%0.79780%0.796SS**  trans-63.1112.4165460000108.9R211R211-S213 PolarHBondContact O-N 2.97Å
214F30Very low32Very low180 Ų180146.9 Ų146.979%0.78979%0.789SS**PPolyproline II helixtrans-63.1131.8175.4-81.2-84.4000110.1P212P212-F214 PolarHBondContact O-N 3.37Å
215P36Very low32.1Very low114 Ų114141 Ų14174%0.7479%0.785SS**PPolyproline II helixtrans-61.1148.4168.7-11.924.9000109.8R217P215-R217 PolarHBondContact O-N 3.33Å
216S37.1Very low32.1Very low120 Ų120140.7 Ų140.784%0.83978%0.777SS**PPolyproline II helixtrans-47.5129.4176.221.30000112.4
217R29.3Very low32.2Very low208 Ų208140.6 Ų140.679%0.78578%0.776SS**  trans-45.6128.1178.5-167.4175.2-174.1-129.22.1111.5P215 S219P215-R217 PolarHBondContact O-N 3.33Å; R217-S219 PolarHBondContact O-N 3.3Å
218P33Very low32Very low108 Ų108140.7 Ų140.770%0.70178%0.777SS**  trans-58.4135.6171.6-18.729.7000109.9F220P218-F220 PolarHBondContact O-N 2.92Å; P218-F220 VanDerWaalsContact O-N 3.11Å
219S33.5Very low31.8Very low117 Ų117142 Ų14282%0.81878%0.776SS**  trans-59.2111170.748.10000109.1R217R217-S219 PolarHBondContact O-N 3.3Å
220F27.8Very low31.5Very low161 Ų161141.7 Ų141.771%0.70677%0.774SS**  trans-65.5131.3171.3-82.5-87.5000109P218P218-F220 PolarHBondContact O-N 2.92Å; P218-F220 VanDerWaalsContact O-N 3.11Å
221P36.2Very low30.9Very low116 Ų116141.6 Ų141.675%0.75377%0.773SS**  trans-60.7148.9170.625.1-31.2000110.1R223P221-R223 PolarHBondContact O-N 3.12Å
222S35.5Very low30.7Very low117 Ų117135.8 Ų135.882%0.81877%0.767SS**  trans-44.5129.2-176.4-40.70000112.3P224S222-P224 WeakPolarHBondContact O-CD 3.42Å
223R26.1Very low30.4Very low223 Ų223135.8 Ų135.884%0.84277%0.77SS**  trans-50.1121175.7-170.7177.4-174.4-136.52.4109.9P221 S225P221-R223 PolarHBondContact O-N 3.12Å; R223-S225 PolarHBondContact O-N 2.84Å
224P31.1Very low30Very low96 Ų96139.9 Ų139.962%0.62377%0.773SS**  trans-58.9132169.7-18.129.8000108.6S222 F226S222-P224 WeakPolarHBondContact O-CD 3.42Å; P224-F226 WeakPolarHBondContact O-CD2 3.02Å; P224-F226 PolarHBondContact O-N 2.89Å
225S31Very low29.6Very low117 Ų117134.5 Ų134.582%0.81877%0.768SS**  trans-61.899.817246.40000108.8R223R223-S225 PolarHBondContact O-N 2.84Å
226F26.9Very low29.1Very low163 Ų163133.6 Ų133.672%0.71577%0.765SS**PPolyproline II helixtrans-68.9126.6170-78.5-82.3000108.5P224 S228P224-F226 WeakPolarHBondContact O-CD2 3.02Å; P224-F226 PolarHBondContact O-N 2.89Å; F226-S228 PolarHBondContact O-N 2.76Å
227P33.4Very low28.6Very low114 Ų114135.6 Ų135.674%0.7476%0.761SS**PPolyproline II helixtrans-58.6139.6170.617.3-20000109R229P227-R229 PolarHBondContact O-N 3.04Å; P227-R229 VanDerWaalsContact O-N 3.16Å
228S28.7Very low28.3Very low116 Ų116129.8 Ų129.881%0.81175%0.752SS**PPolyproline II helixtrans-48.9119.5178.837.40000110.7F226F226-S228 PolarHBondContact O-N 2.76Å
229R23.7Very low28.3Very low234 Ų234132.9 Ų132.988%0.88376%0.755SS**PPolyproline II helixtrans-56122.6175.2-159.2177.2-171-150.71.9108.1P227 S231P227-R229 PolarHBondContact O-N 3.04Å; P227-R229 VanDerWaalsContact O-N 3.16Å; R229-S231 PolarHBondContact O-N 2.96Å
230P27.9Very low27.9Very low111 Ų111130.3 Ų130.372%0.72175%0.746SS**PPolyproline II helixtrans-60.3135.5174.7-14.326.9000107.8S232P230-S232 PolarHBondContact O-N 3.44Å
231S25.8Very low27.7Very low115 Ų115126.6 Ų126.680%0.80475%0.754SS**  trans-59.894.3164.752.70000107.4R229 S233R229-S231 PolarHBondContact O-N 2.96Å; S231-S233 PolarHBondContact O-N 2.99Å
232S25Very low27.6Very low103 Ų103124 Ų12472%0.7275%0.748SS**  trans-70.184.2164.859.80000106.1P230 F234P230-S232 PolarHBondContact O-N 3.44Å; S232-F234 PolarHBondContact O-N 2.86Å; S232-F234 VanDerWaalsContact O-N 3.08Å
233S25.3Very low27.6Very low105 Ų105125.3 Ų125.373%0.73475%0.751SS**  trans-42.8116.9154172.10000105.8S231 G235S231-S233 PolarHBondContact O-N 2.99Å; S233-G235 PolarHBondContact O-N 2.61Å
234F26.1Very low28.2Very low200 Ų200118.8 Ų118.888%0.87775%0.754SS**  trans-48.5111.4167.6-99.6-100.9000106.3S232 S236S232-F234 PolarHBondContact O-N 2.86Å; S232-F234 VanDerWaalsContact O-N 3.08Å; F234-S236 PolarHBondContact O-N 3.44Å
235G22.4Very low28.9Very low66 Ų66117.1 Ų117.168%0.6875%0.753SS**  trans-61108.5179.300000107.1S233 Q237S233-G235 PolarHBondContact O-N 2.61Å; G235-Q237 PolarHBondContact O-N 3.33Å
236S26.1Very low29.9Very low95 Ų95121.2 Ų121.266%0.66476%0.757SS**  trans-59.795.4158.81500000106F234 S238F234-S236 PolarHBondContact O-N 3.44Å; S236-S238 VanDerWaalsContact C-N 3.25Å; S236-S238 PolarHBondContact O-N 2.9Å
237Q25Very low31.3Very low163 Ų163116 Ų11676%0.76274%0.736SS**  trans-68.595.8162.9-73.6-164.86.700106.7G235 F239G235-Q237 PolarHBondContact O-N 3.33Å; Q237-F239 PolarHBondContact O-N 3.4Å
238S24.9Very low33.2Very low85 Ų85114.6 Ų114.659%0.59473%0.727SS**  trans-67.898.4167.5178.60000107.2S236 G240S236-S238 VanDerWaalsContact C-N 3.25Å; S236-S238 PolarHBondContact O-N 2.9Å; S238-G240 PolarHBondContact O-N 3.26Å
239F31.6Very low34.9Very low173 Ų173113.4 Ų113.476%0.75972%0.718SS**  trans-62.7110.8162.5-89.7-91.2000107.3Q237Q237-F239 PolarHBondContact O-N 3.4Å
240G26.4Very low36.9Very low63 Ų63107.9 Ų107.965%0.64971%0.706SS**  trans-56.6146.5-178.600000111.7S238 G242S238-G240 PolarHBondContact O-N 3.26Å; G240-G242 PolarHBondContact O-N 3.09Å
241G23.6Very low38.8Very low83 Ų83106.3 Ų106.386%0.85669%0.692SS**  trans-46.5106.8-173.400000113.9
242G32.5Very low41Very low61 Ų61103.7 Ų103.763%0.62967%0.667SS**  trans-113.7109.8160.400000107.6G240 G244G240-G242 PolarHBondContact O-N 3.09Å; G242-G244 PolarHBondContact O-N 3.05Å; G242-G244 VanDerWaalsContact O-N 3.12Å
243T35.6Very low43.1Very low145 Ų145103.9 Ų103.989%0.8966%0.66SS**THydrogen-bonded Turntrans-43.3114.3173.748.80000111.5G245T243-G245 PolarHBondContact O-N 2.97Å
244G39.7Very low45.1Very low87 Ų87102.9 Ų102.990%0.89765%0.645SS**THydrogen-bonded Turntrans54.325.5161.400000117.1G242 K246G242-G244 PolarHBondContact O-N 3.05Å; G242-G244 VanDerWaalsContact O-N 3.12Å; G244-K246 PolarHBondContact O-N 3.21Å
245G44.4Very low47.3Very low60 Ų6094 Ų9462%0.61961%0.607SS**PPolyproline II helixtrans-66.6116.2178.600000110.7T243 L247T243-G245 PolarHBondContact O-N 2.97Å; G245-L247 PolarHBondContact O-N 2.73Å
246K53.5Low49.6Very low204 Ų20494.6 Ų94.689%0.88760%0.595SS**PPolyproline II helixtrans-57.5125.7168.9-161.8176.9-175.3-179.10107.5G244G244-K246 PolarHBondContact O-N 3.21Å
247L56.7Low51.6Low54 Ų5492.3 Ų92.328%0.28357%0.574SS.*PPolyproline II helixtrans-52.7142.6175.1-10489.4000109.6G245 S249 L251 L255G245-L247 PolarHBondContact O-N 2.73Å; L247-S249 PolarHBondContact O-N 3.22Å; L247-L251 HydrophobicContact CD2-CB 4.17Å; L247-L251 HydrophobicContact CD2-CD2 3.49Å; L247-L251 VanDerWaalsContact CD2-CD2 3.49Å; L247-L251 HydrophobicContact CD2-CG 3.68Å; L247-L251 HydrophobicContact CG-CD2 4.11Å; L247-L255 HydrophobicContact CD2-CD1 3.37Å
248P72.5Confident53.6Low84 Ų8486.8 Ų86.855%0.54555%0.547SS..PPolyproline II helixtrans-50.5137.5168.1-24.733.9000110D250 L251 Q252P248-D250 PolarHBondContact O-N 3.03Å; P248-D250 VanDerWaalsContact O-N 3.13Å; P248-L251 HydrophobicContact CB-CB 4.38Å; P248-L251 PolarHBondContact O-N 2.71Å; P248-L251 VanDerWaalsContact O-N 3.08Å; P248-Q252 PolarHBondContact O-N 2.82Å
249S64.9Low55.5Low90 Ų9083 Ų8363%0.62952%0.522SS*.Hα-helixtrans-51.4-39.8-178.345.20000112.2L247 Q252 D253L247-S249 PolarHBondContact O-N 3.22Å; S249-Q252 PolarHBondContact O-N 3.32Å; S249-D253 WeakPolarHBondContact O-CB 3.42Å; S249-D253 PolarHBondContact O-N 2.89Å
250D65.3Low57.2Low119 Ų11977.2 Ų77.264%0.63650%0.498SS*.Hα-helixtrans-69.8-38-175.1-50.4-15.3000111.1P248 D253 L254P248-D250 PolarHBondContact O-N 3.03Å; P248-D250 VanDerWaalsContact O-N 3.13Å; D250-D253 PolarHBondContact O-N 2.64Å; D250-L254 WeakPolarHBondContact O-CG 3.19Å; D250-L254 PolarHBondContact O-N 3.45Å
251L68.4Low59Low78 Ų7877.2 Ų77.241%0.40849%0.488SS..Hα-helixtrans-69.5-39.9174.9-173.363.9000110.7L247 P248 D253 L254 L255L247-L251 HydrophobicContact CD2-CB 4.17Å; L247-L251 HydrophobicContact CD2-CD2 3.49Å; L247-L251 VanDerWaalsContact CD2-CD2 3.49Å; L247-L251 HydrophobicContact CD2-CG 3.68Å; L247-L251 HydrophobicContact CG-CD2 4.11Å; P248-L251 HydrophobicContact CB-CB 4.38Å; P248-L251 PolarHBondContact O-N 2.71Å; P248-L251 VanDerWaalsContact O-N 3.08Å; L251-D253 VanDerWaalsContact C-N 3.31Å; L251-D253 PolarHBondContact O-N 2.85Å; L251-L254 PolarHBondContact O-N 2.88Å; L251-L255 HydrophobicContact CG-CD1 4.28Å; L251-L255 WeakPolarHBondContact O-CB 3.39Å; L251-L255 WeakPolarHBondContact O-CG 3.42Å; L251-L255 PolarHBondContact O-N 3.42Å
252Q71.6Confident60.7Low60 Ų6076 Ų7628%0.2846%0.464SS..Hα-helixtrans-64.7-37.2175.4-172.262.459.900111.8P248 S249 L255 N256P248-Q252 PolarHBondContact O-N 2.82Å; S249-Q252 PolarHBondContact O-N 3.32Å; Q252-L255 PolarHBondContact O-N 2.7Å; Q252-N256 PolarHBondContact NE2-OD1 3.11Å; Q252-N256 WeakPolarHBondContact O-CB 3.3Å; Q252-N256 PolarHBondContact O-N 3.05Å; Q252-N256 PolarHBondContact O-ND2 3.38Å; Q252-N256 PolarHBondContact O-OD1 3.34Å
253D69.6Low61.8Low107 Ų10774.3 Ų74.357%0.57245%0.447SS*.Hα-helixtrans-67.6-43.6177.5-163.749000111.5S249 D250 L251 L255 N256 Q257S249-D253 WeakPolarHBondContact O-CB 3.42Å; S249-D253 PolarHBondContact O-N 2.89Å; D250-D253 PolarHBondContact O-N 2.64Å; L251-D253 VanDerWaalsContact C-N 3.31Å; L251-D253 PolarHBondContact O-N 2.85Å; D253-L255 PolarHBondContact O-N 2.82Å; D253-N256 PolarHBondContact O-N 3.5Å; D253-Q257 VanDerWaalsContact O-CB 3.25Å; D253-Q257 WeakPolarHBondContact O-CB 3.42Å; D253-Q257 PolarHBondContact O-N 3.37Å
254L67.3Low62.7Low83 Ų8374.8 Ų74.844%0.43545%0.45SS..Hα-helixtrans-58.3-49.6171.5-73.5168.2000111.3D250 L251 N256 Q257 F258D250-L254 WeakPolarHBondContact O-CG 3.19Å; D250-L254 PolarHBondContact O-N 3.45Å; L251-L254 PolarHBondContact O-N 2.88Å; L254-N256 VanDerWaalsContact C-N 3.32Å; L254-N256 PolarHBondContact O-N 3.2Å; L254-Q257 WeakPolarHBondContact O-CB 3.19Å; L254-Q257 PolarHBondContact O-N 2.89Å; L254-F258 HydrophobicContact CD2-CE2 3.95Å; L254-F258 WeakPolarHBondContact O-CD2 3.3Å; L254-F258 PolarHBondContact O-N 3.04Å
255L71.3Confident62.8Low14 Ų1472.5 Ų72.57%0.07343%0.426CS..Hα-helixtrans-57.2-46.6177.2-70.3169.1000110.8L247 L251 Q252 D253 Q257 F258 G259 I260 T262 Y271L247-L255 HydrophobicContact CD2-CD1 3.37Å; L251-L255 HydrophobicContact CG-CD1 4.28Å; L251-L255 WeakPolarHBondContact O-CB 3.39Å; L251-L255 WeakPolarHBondContact O-CG 3.42Å; L251-L255 PolarHBondContact O-N 3.42Å; Q252-L255 PolarHBondContact O-N 2.7Å; D253-L255 PolarHBondContact O-N 2.82Å; L255-Q257 VanDerWaalsContact C-N 3.35Å; L255-Q257 PolarHBondContact O-N 2.73Å; L255-F258 CarbonylContact O-C 3.56Å; L255-F258 PolarHBondContact O-N 3.4Å; L255-G259 CarbonylContact O-C 3.57Å; L255-G259 PolarHBondContact O-N 3Å; L255-I260 CarbonylContact C-O 3.41Å; L255-I260 HydrophobicContact CB-CB 4.29Å; L255-I260 HydrophobicContact CD2-CB 3.55Å; L255-I260 HydrophobicContact CD2-CD1 3.96Å; L255-I260 HydrophobicContact CD2-CG1 4.35Å; L255-I260 HydrophobicContact CD2-CG2 3.49Å; L255-I260 VanDerWaalsContact CD2-CG2 3.49Å; L255-I260 PolarHBondContact O-N 2.97Å; L255-T262 HydrophobicContact CD1-CG2 4.07Å; L255-Y271 HydrophobicContact CD1-CE1 4.08Å; L255-Y271 HydrophobicContact CD2-CD1 3.95Å; L255-Y271 HydrophobicContact CD2-CE1 4.02Å
256N70.9Confident62.7Low79 Ų7973 Ų7342%0.42243%0.432SS..Hα-helixtrans-62.5-40.5177.3-70.1-18.2000112.5N41 Q252 D253 L254 G259N41-N256 PolarHBondContact ND2-O 3.02Å; Q252-N256 PolarHBondContact NE2-OD1 3.11Å; Q252-N256 WeakPolarHBondContact O-CB 3.3Å; Q252-N256 PolarHBondContact O-N 3.05Å; Q252-N256 PolarHBondContact O-ND2 3.38Å; Q252-N256 PolarHBondContact O-OD1 3.34Å; D253-N256 PolarHBondContact O-N 3.5Å; L254-N256 VanDerWaalsContact C-N 3.32Å; L254-N256 PolarHBondContact O-N 3.2Å; N256-G259 PolarHBondContact O-N 3.37Å
257Q68.5Low62.6Low47 Ų4769 Ų6922%0.2243%0.43CS..Hα-helixtrans-63.7-46.3179.5-177.4-178.862.500111.4S40 N41 P177 D253 L254 L255 G259S40-Q257 WeakPolarHBondContact CA-O 3.39Å; S40-Q257 WeakPolarHBondContact CB-O 3.34Å; N41-Q257 PolarHBondContact N-O 3.12Å; P177-Q257 VanDerWaalsContact CB-CD 3.5Å; P177-Q257 HydrophobicContact CB-CG 4.24Å; P177-Q257 HydrophobicContact CG-CG 4.31Å; D253-Q257 VanDerWaalsContact O-CB 3.25Å; D253-Q257 WeakPolarHBondContact O-CB 3.42Å; D253-Q257 PolarHBondContact O-N 3.37Å; L254-Q257 WeakPolarHBondContact O-CB 3.19Å; L254-Q257 PolarHBondContact O-N 2.89Å; L255-Q257 VanDerWaalsContact C-N 3.35Å; L255-Q257 PolarHBondContact O-N 2.73Å; Q257-G259 PolarHBondContact O-N 2.79Å
258F67.3Low62.6Low46 Ų4669.8 Ų69.820%0.20244%0.439CS..THydrogen-bonded Turntrans-81.42.1176.2-67.3-70.7000113.5Q176 P177 L254 L255 I260Q176-F258 HydrophobicContact CB-CZ 4.33Å; P177-F258 VanDerWaalsContact CD-CZ 3.48Å; P177-F258 HydrophobicContact CG-CD1 4.47Å; P177-F258 HydrophobicContact CG-CE1 3.77Å; P177-F258 HydrophobicContact CG-CZ 4.05Å; L254-F258 HydrophobicContact CD2-CE2 3.95Å; L254-F258 WeakPolarHBondContact O-CD2 3.3Å; L254-F258 PolarHBondContact O-N 3.04Å; L255-F258 CarbonylContact O-C 3.56Å; L255-F258 PolarHBondContact O-N 3.4Å; F258-I260 HydrophobicContact CB-CD1 4.08Å; F258-I260 HydrophobicContact CB-CG1 4.08Å; F258-I260 PolarHBondContact O-N 2.9Å
259G63.9Low61.8Low7 Ų767.7 Ų67.77%0.07243%0.433CS..THydrogen-bonded Turntrans63.925.5-177.800000113.3L255 N256 Q257 K274L255-G259 CarbonylContact O-C 3.57Å; L255-G259 PolarHBondContact O-N 3Å; N256-G259 PolarHBondContact O-N 3.37Å; Q257-G259 PolarHBondContact O-N 2.79Å; G259-K274 WeakPolarHBondContact O-CA 3.34Å; G259-K274 WeakPolarHBondContact O-CB 3.17Å; G259-K274 PolarHBondContact O-N 3.14Å
260I67Low61.1Low50 Ų5067.2 Ų67.226%0.25643%0.426SS..EExtended strand (participates in β ladder)trans-82.4121.4173.9-56.2170.3000107.8L255 F258 Y271L255-I260 CarbonylContact C-O 3.41Å; L255-I260 HydrophobicContact CB-CB 4.29Å; L255-I260 HydrophobicContact CD2-CB 3.55Å; L255-I260 HydrophobicContact CD2-CD1 3.96Å; L255-I260 HydrophobicContact CD2-CG1 4.35Å; L255-I260 HydrophobicContact CD2-CG2 3.49Å; L255-I260 VanDerWaalsContact CD2-CG2 3.49Å; L255-I260 PolarHBondContact O-N 2.97Å; F258-I260 HydrophobicContact CB-CD1 4.08Å; F258-I260 HydrophobicContact CB-CG1 4.08Å; F258-I260 PolarHBondContact O-N 2.9Å; I260-Y271 HydrophobicContact CG2-CD1 3.73Å; I260-Y271 HydrophobicContact CG2-CG 4.19Å
261S64.4Low60.8Low63 Ų6367.5 Ų67.544%0.44142%0.42SS..EExtended strand (participates in β ladder)trans-100.2139.8173.269.50000110.9Y271 T272S261-Y271 WeakPolarHBondContact O-CA 3.17Å; S261-T272 PolarHBondContact N-O 3.38Å; S261-T272 PolarHBondContact O-N 3.26Å; S261-T272 PolarHBondContact OG-OG1 2.69Å
262T59.6Low60.2Low57 Ų5767.7 Ų67.735%0.3542%0.424SS..EExtended strand (participates in β ladder)trans-89.1114.7174.342.30000109.6L255 Y271L255-T262 HydrophobicContact CD1-CG2 4.07Å; T262-Y271 HydrophobicContact CG2-CD1 3.71Å; T262-Y271 HydrophobicContact CG2-CE1 3.34Å
263G55.7Low59.8Low27 Ų2768.9 Ų68.928%0.27844%0.444SS..EExtended strand (participates in β ladder)trans-79.7132.2168.700000110.4G265 T270G263-G265 PolarHBondContact O-N 2.98Å; G263-T270 PolarHBondContact N-O 3.28Å; G263-T270 PolarHBondContact O-N 2.77Å
264T53.3Low59.9Low155 Ų15568.8 Ų68.895%0.95144%0.439SS*.  trans-77.565.2170.755.50000110
265G43.2Very low60.4Low38 Ų3869.8 Ų69.839%0.39245%0.452SS..  trans-109.289.2179.400000111.4G263 S268G263-G265 PolarHBondContact O-N 2.98Å; G265-S268 CarbonylContact O-C 3.54Å
266G42Very low61.1Low72 Ų7270.5 Ų70.574%0.74246%0.455SS*.THydrogen-bonded Turntrans58-172.5174.700000114.4S268G266-S268 PolarHBondContact O-N 3.03Å
267S51.6Low62.2Low120 Ų12070.5 Ų70.584%0.83945%0.453SS*.THydrogen-bonded Turntrans-63.94.3-176.8-47.80000114.9
268S55.6Low63.5Low69 Ų6969.4 Ų69.448%0.48345%0.45SS..SBendtrans-130.189177.4-159.50000108.2G265 G266 T270G265-S268 CarbonylContact O-C 3.54Å; G266-S268 PolarHBondContact O-N 3.03Å; S268-T270 PolarHBondContact O-N 2.55Å
269G55.5Low64.8Low40 Ų4067.2 Ų67.241%0.41244%0.44SS..PPolyproline II helixtrans-54.3125.1-179.200000111.2
270T51.9Low66.3Low80 Ų8071 Ų7149%0.49145%0.454SS..EExtended strand (participates in β ladder)trans-86.1122.2176.853.40000109.4G263 S268G263-T270 PolarHBondContact N-O 3.28Å; G263-T270 PolarHBondContact O-N 2.77Å; S268-T270 PolarHBondContact O-N 2.55Å
271Y57.5Low67.6Low126 Ų12669.7 Ų69.749%0.49445%0.449SS..EExtended strand (participates in β ladder)trans-92.8121.5174.3-62.6-89.4000109.4L255 I260 S261 T262L255-Y271 HydrophobicContact CD1-CE1 4.08Å; L255-Y271 HydrophobicContact CD2-CD1 3.95Å; L255-Y271 HydrophobicContact CD2-CE1 4.02Å; I260-Y271 HydrophobicContact CG2-CD1 3.73Å; I260-Y271 HydrophobicContact CG2-CG 4.19Å; S261-Y271 WeakPolarHBondContact O-CA 3.17Å; T262-Y271 HydrophobicContact CG2-CD1 3.71Å; T262-Y271 HydrophobicContact CG2-CE1 3.34Å
272T55.8Low68.8Low81 Ų8169.2 Ų69.250%0.49745%0.45SS..EExtended strand (participates in β ladder)trans-108.4123.117255.90000109.5S261 K274S261-T272 PolarHBondContact N-O 3.38Å; S261-T272 PolarHBondContact O-N 3.26Å; S261-T272 PolarHBondContact OG-OG1 2.69Å; T272-K274 PolarHBondContact O-N 3.14Å
273A63.9Low70.1Confident85 Ų8569 Ų6970%0.70245%0.448SS*.EExtended strand (participates in β ladder)trans-71.5121.1173.600000109S275A273-S275 PolarHBondContact O-N 3.47Å
274K70.5Confident71.5Confident105 Ų10576.5 Ų76.546%0.45747%0.473SS..PPolyproline II helixtrans-60.6135.8171.6-179179.6-178.7-174.20109.1N41 G259 T272 F276N41-K274 PolarHBondContact OD1-NZ 2.8Å; G259-K274 WeakPolarHBondContact O-CA 3.34Å; G259-K274 WeakPolarHBondContact O-CB 3.17Å; G259-K274 PolarHBondContact O-N 3.14Å; T272-K274 PolarHBondContact O-N 3.14Å; K274-F276 HydrophobicContact CD-CE1 4.36Å; K274-F276 HydrophobicContact CD-CZ 4.33Å
275S79.3Confident72.7Confident104 Ų10470 Ų7073%0.72743%0.434SS*.PPolyproline II helixtrans-78.5126.4170.5-169.60000109.4A273A273-S275 PolarHBondContact O-N 3.47Å
276F86.6Confident73.9Confident29 Ų2970.3 Ų70.313%0.12743%0.433CS..  trans-98.5109.1172.4-68.1-81.9000108.9H39 S40 I44 K274H39-F276 HydrophobicContact CB-CB 3.84Å; H39-F276 HydrophobicContact CB-CD2 3.7Å; H39-F276 HydrophobicContact CB-CE2 4.41Å; H39-F276 HydrophobicContact CB-CG 3.82Å; S40-F276 VanDerWaalsContact C-CE1 3.46Å; I44-F276 HydrophobicContact CG2-CB 3.87Å; I44-F276 HydrophobicContact CG2-CD1 3.68Å; I44-F276 HydrophobicContact CG2-CG 4.05Å; K274-F276 HydrophobicContact CD-CE1 4.36Å; K274-F276 HydrophobicContact CD-CZ 4.33Å
277E92.1Very high74.8Confident80 Ų8077.5 Ų77.537%0.37444%0.437SS..  trans-82.3148.4170.8-68.5-177.5-118.200110.2K129 K280K129-E277 WeakPolarHBondContact CE-OE2 3.43Å; K129-E277 IonicContact NZ-OE2 3.76Å; K129-E277 PolarHBondContact NZ-OE2 2.76Å; E277-K280 HydrophobicContact CB-CD 4.01Å; E277-K280 HydrophobicContact CB-CG 4.48Å; E277-K280 IonicContact OE1-NZ 3.14Å; E277-K280 PolarHBondContact OE1-NZ 3.48Å; E277-K280 IonicContact OE2-NZ 3.42Å; E277-K280 PolarHBondContact OE2-NZ 3.39Å
278C95.8Very high75.1Confident23 Ų2376.9 Ų76.916%0.15542%0.421CS..THydrogen-bonded Turntrans-58.4152.1170.360.30000111P45 C47 K280 Q333P45-C278 HydrophobicContact CG-CB 4.23Å; P45-C278 CarbonylContact O-C 3.58Å; P45-C278 WeakPolarHBondContact O-CA 3.47Å; P45-C278 WeakPolarHBondContact O-CB 3.41Å; C47-C278 WeakPolarHBondContact CA-SG 3.29Å; C47-C278 HydrophobicContact CB-CB 4.02Å; C47-C278 WeakPolarHBondContact CB-SG 3.17Å; C47-C278 WeakPolarHBondContact SG-CB 3.39Å; C47-C278 PolarHBondContact SG-O 3.37Å; C47-C278 CovalentContact SG-SG 2.06Å; C47-C278 PolarHBondContact SG-SG 2.91Å; C278-K280 PolarHBondContact O-N 3.43Å; C278-Q333 HydrophobicContact CB-CG 4.4Å
279G96.4Very high74.7Confident0 Ų076.3 Ų76.30%043%0.426CS..THydrogen-bonded Turntrans64.110.4169.400000115.3P45 Y130 P281P45-G279 PolarHBondContact O-N 3.11Å; Y130-G279 WeakPolarHBondContact CD2-O 3.14Å; Y130-G279 PolarHBondContact N-O 2.73Å; Y130-G279 WeakPolarHBondContact O-CA 3.19Å; G279-P281 WeakPolarHBondContact O-CD 3.35Å
280K95.2Very high74.2Confident86 Ų8680.8 Ų80.837%0.37445%0.448SS..  trans-117.380.5178.3-73.9-174.5172.5165.60110.6I44 K129 E277 C278I44-K280 VanDerWaalsContact CD1-O 3.22Å; I44-K280 WeakPolarHBondContact CD1-O 3.32Å; K129-K280 VanDerWaalsContact CE-CE 3.44Å; K129-K280 HydrophobicContact CG-CD 4.36Å; K129-K280 HydrophobicContact CG-CG 3.99Å; E277-K280 HydrophobicContact CB-CD 4.01Å; E277-K280 HydrophobicContact CB-CG 4.48Å; E277-K280 IonicContact OE1-NZ 3.14Å; E277-K280 PolarHBondContact OE1-NZ 3.48Å; E277-K280 IonicContact OE2-NZ 3.42Å; E277-K280 PolarHBondContact OE2-NZ 3.39Å; C278-K280 PolarHBondContact O-N 3.43Å
281P93.7Very high73.8Confident23 Ų2384.4 Ų84.415%0.14946%0.462CS..  trans-65.2144.9-177.729.8-35.5000111Y130 G279 V283 P310 W311Y130-P281 HydrophobicContact CD2-CG 4.33Å; Y130-P281 HydrophobicContact CE2-CG 4.21Å; G279-P281 WeakPolarHBondContact O-CD 3.35Å; P281-V283 VanDerWaalsContact C-N 3.28Å; P281-V283 WeakPolarHBondContact CB-O 3.41Å; P281-V283 PolarHBondContact O-N 2.81Å; P281-P310 HydrophobicContact CB-CG 3.84Å; P281-W311 HydrophobicContact CB-CZ3 4.46Å; P281-W311 HydrophobicContact CG-CH2 4.31Å; P281-W311 HydrophobicContact CG-CZ3 4.42Å
282A89.7Confident73Confident54 Ų5481.7 Ų81.745%0.44647%0.473SS..SBendtrans-67.7-32.4175.900000111.8N41N41-A282 HydrophobicContact CB-CB 3.8Å; N41-A282 WeakPolarHBondContact OD1-CB 3.49Å
283V87.8Confident72.3Confident53 Ų5389.1 Ų89.132%0.32149%0.492SS..SBendtrans-101.2123.5174.1-178.20000108.6P281 T305 H307 S308P281-V283 VanDerWaalsContact C-N 3.28Å; P281-V283 WeakPolarHBondContact CB-O 3.41Å; P281-V283 PolarHBondContact O-N 2.81Å; V283-T305 HydrophobicContact CG1-CG2 4.04Å; V283-H307 HydrophobicContact CB-CB 4.49Å; V283-H307 HydrophobicContact CG2-CB 4.09Å; V283-S308 WeakPolarHBondContact O-CA 3.3Å
284K84.6Confident71.4Confident183 Ų18393.1 Ų93.180%0.79649%0.494SS*.PPolyproline II helixtrans-73.1142176.4-65.7-174.9178.7-178.20110.1A286K284-A286 PolarHBondContact O-N 3.39Å
285S78Confident70Confident18 Ų1895.1 Ų95.113%0.12650%0.502CS..PPolyproline II helixtrans-64.2131.2171-165.60000109.6Q81 R287Q81-S285 PolarHBondContact NE2-OG 2.98Å; Q81-S285 PolarHBondContact OE1-OG 3.13Å; S285-R287 PolarHBondContact O-N 3.16Å
286A68.8Low68Low45 Ų4594.2 Ų94.237%0.37249%0.49SS..  trans-65.5108.2174.100000108.9K284 H288K284-A286 PolarHBondContact O-N 3.39Å; A286-H288 PolarHBondContact O-N 3.08Å; A286-H288 PolarHBondContact O-ND1 3.22Å
287R60Low66.1Low223 Ų22396 Ų9684%0.84250%0.495SS*.  trans-61.1107.4171.1-74.5-162-82.9-158.2-3.2108S285 G289S285-R287 PolarHBondContact O-N 3.16Å; R287-G289 PolarHBondContact O-N 2.95Å
288H57.4Low64.4Low108 Ų10892.2 Ų92.250%0.548%0.478SS..  trans-74.2116.4173.3-77.863.1000107.9A286 Y302A286-H288 PolarHBondContact O-N 3.08Å; A286-H288 PolarHBondContact O-ND1 3.22Å; H288-Y302 HydrophobicContact CB-CD1 4.22Å; H288-Y302 HydrophobicContact CB-CE1 4.1Å; H288-Y302 HydrophobicContact CB-CE2 4.39Å; H288-Y302 HydrophobicContact CB-CG 4.46Å; H288-Y302 AromaticContact CD2-CG 3.99Å; H288-Y302 AromaticContact CE1-CD2 3.31Å; H288-Y302 WeakPolarHBondContact CE1-CD2 3.32Å; H288-Y302 AromaticContact CE1-CE2 3.71Å; H288-Y302 AromaticContact CE1-CG 3.97Å; H288-Y302 AromaticContact CG-CD2 3.74Å; H288-Y302 AromaticContact CG-CE2 3.86Å; H288-Y302 AromaticContact CG-CG 3.85Å; H288-Y302 AromaticContact ND1-CD2 3.25Å; H288-Y302 WeakPolarHBondContact ND1-CD2 3.42Å; H288-Y302 AromaticContact ND1-CE2 3.22Å; H288-Y302 WeakPolarHBondContact ND1-CE2 3.36Å; H288-Y302 AromaticContact ND1-CG 3.86Å; H288-Y302 AromaticContact ND1-CZ 3.86Å; H288-Y302 AromaticContact NE2-CD2 3.85Å
289G49Very low62.9Low57 Ų5792.3 Ų92.359%0.58848%0.478SS*.  trans-62.9172.9172.100000112.2R287 I291R287-G289 PolarHBondContact O-N 2.95Å; G289-I291 PolarHBondContact O-N 3.1Å
290P44.4Very low61.6Low133 Ų13393.1 Ų93.186%0.86449%0.486SS*.THydrogen-bonded Turntrans-56.2111.9-175.919.9-30.2000112.4G292P290-G292 PolarHBondContact O-N 3.35Å
291I42.3Very low61Low156 Ų15689 Ų8980%0.847%0.468SS*.THydrogen-bonded Turntrans41.162.4155.5-41.4179.1000115.1G289 R293G289-I291 PolarHBondContact O-N 3.1Å; I291-R293 PolarHBondContact O-N 3.02Å
292G41.6Very low60.6Low70 Ų7088.9 Ų88.972%0.72247%0.465SS*.  trans-82.298.415900000109.9P290 K294P290-G292 PolarHBondContact O-N 3.35Å; G292-K294 PolarHBondContact O-N 2.73Å
293R41.3Very low60.6Low236 Ų23688.7 Ų88.789%0.89145%0.454SS*.SBendtrans-39.4103.3175.6-64.6173.3175.9171.4-2.2112.8I291I291-R293 PolarHBondContact O-N 3.02Å
294K44.1Very low60.7Low169 Ų16986.4 Ų86.474%0.73544%0.441SS*.SBendtrans177.1108147.3-102.4161.3-175.5-178.20110.6G292G292-K294 PolarHBondContact O-N 2.73Å
295F42.2Very low61Low147 Ų14780 Ų8065%0.64542%0.417SS*.  trans78.166.8164.5-41.6-69.9000117.4R297F295-R297 PolarHBondContact O-N 2.96Å
296N37.8Very low61.4Low85 Ų8582 Ų8246%0.45543%0.43SS..  trans-85.2109.5168.4-69.919.7000110.6I298 G300 G301N296-I298 CarbonylContact C-O 3.55Å; N296-G300 VanDerWaalsContact ND2-C 3.32Å; N296-G300 PolarHBondContact ND2-O 2.88Å; N296-G301 WeakPolarHBondContact CA-O 3.17Å; N296-G301 WeakPolarHBondContact CB-O 3.22Å; N296-G301 PolarHBondContact ND2-O 3.4Å; N296-G301 PolarHBondContact OD1-O 2.72Å; N296-G301 VanDerWaalsContact OD1-O 3.08Å
297R47Very low62.4Low67 Ų6782.8 Ų82.825%0.25343%0.426SS..  trans-109.4-27.1-167.1-57.1-158.8175.4115.51.3116.2M69 L80 F295 E303M69-R297 WeakPolarHBondContact CA-O 3.42Å; M69-R297 HydrophobicContact CB-CB 4.38Å; M69-R297 WeakPolarHBondContact CB-O 3.25Å; M69-R297 HydrophobicContact CE-CB 3.61Å; M69-R297 HydrophobicContact CE-CG 3.29Å; M69-R297 HydrophobicContact CG-CB 3.84Å; M69-R297 WeakPolarHBondContact CG-O 3.46Å; M69-R297 HydrophobicContact SD-CB 3.86Å; M69-R297 VanDerWaalsContact SD-CD 3.54Å; M69-R297 HydrophobicContact SD-CG 3.88Å; L80-R297 VanDerWaalsContact CD1-C 3.45Å; L80-R297 HydrophobicContact CD1-CB 3.27Å; L80-R297 HydrophobicContact CD1-CG 4.44Å; L80-R297 HydrophobicContact CD2-CB 3.75Å; L80-R297 HydrophobicContact CD2-CG 4.27Å; L80-R297 HydrophobicContact CG-CB 4.1Å; F295-R297 PolarHBondContact O-N 2.96Å; R297-E303 IonicContact NH1-OE2 2.79Å; R297-E303 PolarHBondContact NH1-OE2 2.81Å
298I55.1Low64Low0 Ų072.2 Ų72.20%039%0.386CS..SBendtrans-73.2152.1145.8-64.6-69000103L80 V82 D112 D117 N296 G300 G301L80-I298 HydrophobicContact CB-CD1 4.01Å; L80-I298 HydrophobicContact CB-CG1 3.47Å; L80-I298 VanDerWaalsContact CB-CG1 3.47Å; L80-I298 HydrophobicContact CD1-CD1 4.33Å; L80-I298 HydrophobicContact CD1-CG1 4.22Å; V82-I298 HydrophobicContact CB-CB 3.95Å; V82-I298 HydrophobicContact CB-CG2 3.57Å; V82-I298 HydrophobicContact CG1-CB 4.2Å; V82-I298 HydrophobicContact CG1-CG2 3.34Å; V82-I298 HydrophobicContact CG2-CG2 4.41Å; D112-I298 WeakPolarHBondContact O-CG2 3.43Å; D117-I298 WeakPolarHBondContact OD1-CD1 3.27Å; D117-I298 WeakPolarHBondContact OD2-CD1 3.28Å; N296-I298 CarbonylContact C-O 3.55Å; I298-G300 CarbonylContact O-C 3.52Å; I298-G300 PolarHBondContact O-N 3.4Å; I298-G301 PolarHBondContact O-N 2.8Å
299V65.6Low65.8Low26 Ų2667.6 Ų67.616%0.15837%0.365CS..BIsolated β-bridgetrans-58114.6-176.3-1660000107.3G110 K111 D112 C114 C142 A143 G301G110-V299 CarbonylContact O-C 3.56Å; G110-V299 VanDerWaalsContact O-C 3.32Å; K111-V299 WeakPolarHBondContact CA-O 3.27Å; D112-V299 PolarHBondContact N-O 3.39Å; D112-V299 VanDerWaalsContact N-O 3.17Å; D112-V299 PolarHBondContact O-N 3.01Å; C114-V299 HydrophobicContact CB-CG2 4.4Å; C142-V299 HydrophobicContact CB-CG2 4Å; A143-V299 HydrophobicContact CB-CB 3.65Å; A143-V299 HydrophobicContact CB-CG1 3.32Å; A143-V299 HydrophobicContact CB-CG2 4.27Å; V299-G301 VanDerWaalsContact C-N 3.32Å; V299-G301 PolarHBondContact O-N 3.32Å
300G68Low68Low16 Ų1665.3 Ų65.317%0.16534%0.34CS..THydrogen-bonded Turntrans720.6-171.300000118.6G110 N296 I298G110-G300 VanDerWaalsContact O-CA 3.23Å; G110-G300 WeakPolarHBondContact O-CA 3.39Å; G110-G300 PolarHBondContact O-N 3.23Å; N296-G300 VanDerWaalsContact ND2-C 3.32Å; N296-G300 PolarHBondContact ND2-O 2.88Å; I298-G300 CarbonylContact O-C 3.52Å; I298-G300 PolarHBondContact O-N 3.4Å
301G82.3Confident70.6Confident0 Ų059 Ų590%030%0.299CS..  trans-88.1-156.8178.400000115.5Q81 N296 I298 V299Q81-G301 CarbonylContact O-C 3.42Å; Q81-G301 WeakPolarHBondContact O-CA 3.48Å; N296-G301 WeakPolarHBondContact CA-O 3.17Å; N296-G301 WeakPolarHBondContact CB-O 3.22Å; N296-G301 PolarHBondContact ND2-O 3.4Å; N296-G301 PolarHBondContact OD1-O 2.72Å; N296-G301 VanDerWaalsContact OD1-O 3.08Å; I298-G301 PolarHBondContact O-N 2.8Å; V299-G301 VanDerWaalsContact C-N 3.32Å; V299-G301 PolarHBondContact O-N 3.32Å
302Y86.3Confident73.2Confident21 Ų2152.7 Ų52.78%0.08227%0.266CS..EExtended strand (participates in β ladder)trans-158.8173.4-17748.4-87.8000110L80 Q81 H288L80-Y302 CarbonylContact C-O 3.39Å; L80-Y302 VanDerWaalsContact CA-O 3.29Å; L80-Y302 WeakPolarHBondContact CA-O 3.18Å; Q81-Y302 HydrophobicContact CG-CD2 3.9Å; Q81-Y302 HydrophobicContact CG-CE2 3.46Å; Q81-Y302 VanDerWaalsContact CG-CE2 3.46Å; Q81-Y302 PolarHBondContact N-O 3.2Å; Q81-Y302 VanDerWaalsContact NE2-CZ 3.31Å; Q81-Y302 PolarHBondContact NE2-OH 3.12Å; Q81-Y302 PolarHBondContact O-N 3.11Å; Q81-Y302 VanDerWaalsContact O-O 3.14Å; H288-Y302 HydrophobicContact CB-CD1 4.22Å; H288-Y302 HydrophobicContact CB-CE1 4.1Å; H288-Y302 HydrophobicContact CB-CE2 4.39Å; H288-Y302 HydrophobicContact CB-CG 4.46Å; H288-Y302 AromaticContact CD2-CG 3.99Å; H288-Y302 AromaticContact CE1-CD2 3.31Å; H288-Y302 WeakPolarHBondContact CE1-CD2 3.32Å; H288-Y302 AromaticContact CE1-CE2 3.71Å; H288-Y302 AromaticContact CE1-CG 3.97Å; H288-Y302 AromaticContact CG-CD2 3.74Å; H288-Y302 AromaticContact CG-CE2 3.86Å; H288-Y302 AromaticContact CG-CG 3.85Å; H288-Y302 AromaticContact ND1-CD2 3.25Å; H288-Y302 WeakPolarHBondContact ND1-CD2 3.42Å; H288-Y302 AromaticContact ND1-CE2 3.22Å; H288-Y302 WeakPolarHBondContact ND1-CE2 3.36Å; H288-Y302 AromaticContact ND1-CG 3.86Å; H288-Y302 AromaticContact ND1-CZ 3.86Å; H288-Y302 AromaticContact NE2-CD2 3.85Å
303E88.4Confident75.8Confident49 Ų4950.8 Ų50.823%0.22924%0.24CC..EExtended strand (participates in β ladder)trans-75.7132.6179.3-158.1-173.5110.400111.7R78 L79 L80 R297R78-E303 HydrophobicContact CB-CG 4.06Å; R78-E303 WeakPolarHBondContact CD-OE2 3.19Å; R78-E303 IonicContact CZ-OE1 3.43Å; R78-E303 IonicContact CZ-OE2 2.89Å; R78-E303 IonicContact NE-OE1 3.51Å; R78-E303 PolarHBondContact NE-OE1 2.96Å; R78-E303 IonicContact NE-OE2 2.64Å; R78-E303 PolarHBondContact NE-OE2 2.93Å; R78-E303 IonicContact NH1-OE1 3.63Å; R78-E303 PolarHBondContact NH1-OE1 3.39Å; R78-E303 IonicContact NH1-OE2 3.73Å; R78-E303 PolarHBondContact NH1-OE2 3.17Å; R78-E303 IonicContact NH2-OE1 2.9Å; R78-E303 PolarHBondContact NH2-OE1 2.92Å; L79-E303 WeakPolarHBondContact O-CG 3.4Å; L80-E303 HydrophobicContact CD2-CB 4.11Å; L80-E303 HydrophobicContact CD2-CG 4.04Å; R297-E303 IonicContact NH1-OE2 2.79Å; R297-E303 PolarHBondContact NH1-OE2 2.81Å
304A90.2Very high78.3Confident6 Ų643.2 Ų43.25%0.0521%0.212CC..PPolyproline II helixtrans-69.8138.9176.700000110.1L79 Q81 L309L79-A304 HydrophobicContact CB-CB 4.35Å; L79-A304 HydrophobicContact CD2-CB 4.15Å; L79-A304 HydrophobicContact CG-CB 3.97Å; L79-A304 PolarHBondContact O-N 3.39Å; Q81-A304 HydrophobicContact CG-CB 4.4Å; A304-L309 HydrophobicContact CB-CD1 3.82Å; A304-L309 HydrophobicContact CB-CG 4.35Å
305T90.4Very high80.8Confident47 Ų4736 Ų3629%0.28818%0.181SC..PPolyproline II helixtrans-62132.5171.3-53.30000108.6V283 H307 S308V283-T305 HydrophobicContact CG1-CG2 4.04Å; T305-H307 PolarHBondContact O-N 3.31Å; T305-S308 PolarHBondContact N-OG 2.91Å; T305-S308 VanDerWaalsContact O-CB 3.25Å; T305-S308 WeakPolarHBondContact O-CB 3.19Å; T305-S308 PolarHBondContact O-N 3.32Å; T305-S308 PolarHBondContact O-OG 3Å
306P88.4Confident83.2Confident61 Ų6133.5 Ų33.540%0.39617%0.174SC..THydrogen-bonded Turntrans-48.8137.5176.8-29.335.9000111.6S308P306-S308 PolarHBondContact O-N 2.95Å
307H89.3Confident85.6Confident61 Ų6131.5 Ų31.528%0.28216%0.16SC..THydrogen-bonded Turntrans61.44.6-177.5-45.9133.6000116.9E3 T5 V283 T305E3-H307 IonicContact OE2-CD2 3.48Å; E3-H307 IonicContact OE2-NE2 3.65Å; T5-H307 PolarHBondContact OG1-NE2 3.43Å; V283-H307 HydrophobicContact CB-CB 4.49Å; V283-H307 HydrophobicContact CG2-CB 4.09Å; T305-H307 PolarHBondContact O-N 3.31Å
308S92.9Very high87.4Confident1 Ų132.2 Ų32.21%0.00717%0.169CC..SBendtrans-77.8-19.5176.667.90000114.2V283 T305 P306 P310V283-S308 WeakPolarHBondContact O-CA 3.3Å; T305-S308 PolarHBondContact N-OG 2.91Å; T305-S308 VanDerWaalsContact O-CB 3.25Å; T305-S308 WeakPolarHBondContact O-CB 3.19Å; T305-S308 PolarHBondContact O-N 3.32Å; T305-S308 PolarHBondContact O-OG 3Å; P306-S308 PolarHBondContact O-N 2.95Å; S308-P310 VanDerWaalsContact O-CD 3.3Å; S308-P310 WeakPolarHBondContact O-CD 3.44Å
309L95.7Very high88.3Confident12 Ų1237 Ų376%0.06319%0.19CC..SBendtrans-120.163.2175.7-57.9-179.4000111S64 L79 Q81 A304 W311 Q312S64-L309 VanDerWaalsContact CB-CD1 3.5Å; L79-L309 HydrophobicContact CD2-CB 4.01Å; L79-L309 HydrophobicContact CD2-CD1 3.92Å; L79-L309 HydrophobicContact CG-CD1 4.42Å; Q81-L309 HydrophobicContact CB-CD1 4.22Å; A304-L309 HydrophobicContact CB-CD1 3.82Å; A304-L309 HydrophobicContact CB-CG 4.35Å; L309-W311 HydrophobicContact CD2-CZ2 3.84Å; L309-W311 PolarHBondContact O-N 2.87Å; L309-W311 VanDerWaalsContact O-N 3.09Å; L309-Q312 HydrophobicContact CB-CB 4.37Å; L309-Q312 WeakPolarHBondContact O-CB 3.37Å; L309-Q312 PolarHBondContact O-N 3.1Å
310P95.6Very high88.7Confident9 Ų944.5 Ų44.56%0.05822%0.217CC..THydrogen-bonded Turntrans-70.5-5.2-16931-39.4000115.1T43 I44 P281 S308T43-P310 WeakPolarHBondContact CA-O 3.34Å; I44-P310 HydrophobicContact CD1-CG 3.9Å; I44-P310 HydrophobicContact CG1-CB 3.89Å; I44-P310 HydrophobicContact CG1-CG 3.3Å; I44-P310 PolarHBondContact N-O 2.99Å; I44-P310 CarbonylContact O-C 3.51Å; P281-P310 HydrophobicContact CB-CG 3.84Å; S308-P310 VanDerWaalsContact O-CD 3.3Å; S308-P310 WeakPolarHBondContact O-CD 3.44Å
311W97.8Very high88.9Confident0 Ų046.4 Ų46.40%024%0.237CC..THydrogen-bonded Turntrans-91.3-13.3172.347.180.5000113.1I44 V46 V123 Y130 P281 L309 V313 S330 L331I44-W311 HydrophobicContact CD1-CZ3 4.47Å; I44-W311 HydrophobicContact CG1-CE3 4.41Å; I44-W311 WeakPolarHBondContact O-CA 3.48Å; I44-W311 VanDerWaalsContact O-CB 3.3Å; I44-W311 WeakPolarHBondContact O-CB 3.45Å; I44-W311 PolarHBondContact O-N 3.1Å; V46-W311 HydrophobicContact CB-CB 4.02Å; V46-W311 HydrophobicContact CB-CD2 3.79Å; V46-W311 HydrophobicContact CB-CE3 4.18Å; V46-W311 HydrophobicContact CB-CG 3.7Å; V46-W311 HydrophobicContact CG1-CG 4.46Å; V46-W311 HydrophobicContact CG2-CD2 4.21Å; V46-W311 HydrophobicContact CG2-CG 4.49Å; V123-W311 HydrophobicContact CG2-CZ2 4.29Å; Y130-W311 VanDerWaalsContact CB-CH2 3.49Å; Y130-W311 HydrophobicContact CD1-CH2 4.4Å; Y130-W311 HydrophobicContact CD1-CZ2 4.38Å; Y130-W311 AromaticContact CD2-CH2 3.56Å; Y130-W311 HydrophobicContact CD2-CH2 3.56Å; Y130-W311 HydrophobicContact CD2-CZ2 4.31Å; Y130-W311 HydrophobicContact CD2-CZ3 4.45Å; Y130-W311 HydrophobicContact CE2-CH2 4.4Å; Y130-W311 AromaticContact CG-CH2 3.56Å; Y130-W311 HydrophobicContact CG-CH2 3.56Å; Y130-W311 AromaticContact CG-CZ2 3.92Å; Y130-W311 HydrophobicContact CG-CZ2 3.92Å; P281-W311 HydrophobicContact CB-CZ3 4.46Å; P281-W311 HydrophobicContact CG-CH2 4.31Å; P281-W311 HydrophobicContact CG-CZ3 4.42Å; L309-W311 HydrophobicContact CD2-CZ2 3.84Å; L309-W311 PolarHBondContact O-N 2.87Å; L309-W311 VanDerWaalsContact O-N 3.09Å; W311-V313 PolarHBondContact O-N 2.91Å; W311-S330 CarbonylContact O-C 3.52Å; W311-S330 VanDerWaalsContact O-CA 3.31Å; W311-S330 WeakPolarHBondContact O-CA 3.19Å; W311-L331 HydrophobicContact CB-CB 4.35Å; W311-L331 PolarHBondContact O-N 3.46Å
312Q97.5Very high88.3Confident24 Ų2454 Ų5411%0.11228%0.278CS..EExtended strand (participates in β ladder)trans-64.8128.3-173.8-177.771.955.700110.5S64 W66 L79 L309 G329S64-Q312 PolarHBondContact O-OE1 3Å; S64-Q312 PolarHBondContact OG-OE1 3.05Å; W66-Q312 HydrophobicContact CH2-CG 3.45Å; W66-Q312 VanDerWaalsContact CH2-CG 3.45Å; W66-Q312 HydrophobicContact CZ2-CG 4.15Å; W66-Q312 HydrophobicContact CZ3-CG 3.83Å; L79-Q312 HydrophobicContact CD1-CG 3.66Å; L79-Q312 HydrophobicContact CD2-CB 3.91Å; L79-Q312 HydrophobicContact CD2-CG 3.78Å; L79-Q312 HydrophobicContact CG-CG 4.39Å; L309-Q312 HydrophobicContact CB-CB 4.37Å; L309-Q312 WeakPolarHBondContact O-CB 3.37Å; L309-Q312 PolarHBondContact O-N 3.1Å; Q312-G329 PolarHBondContact NE2-O 3.44Å
313V96.7Very high87.6Confident29 Ų2958.4 Ų58.418%0.17630%0.3CS..EExtended strand (participates in β ladder)trans-124.3156.2171.6-56.50000111.9W66 W311 V315 G329 L331 V343W66-V313 WeakPolarHBondContact CZ3-O 3.46Å; W311-V313 PolarHBondContact O-N 2.91Å; V313-V315 HydrophobicContact CG2-CG2 4.34Å; V313-G329 PolarHBondContact N-O 3.42Å; V313-G329 PolarHBondContact O-N 3.02Å; V313-L331 HydrophobicContact CG1-CD1 4.33Å; V313-L331 HydrophobicContact CG1-CD2 4.01Å; V313-L331 HydrophobicContact CG1-CG 3.69Å; V313-V343 HydrophobicContact CG1-CG2 4.39Å; V313-V343 HydrophobicContact CG2-CB 4.43Å; V313-V343 HydrophobicContact CG2-CG1 3.5Å; V313-V343 HydrophobicContact CG2-CG2 3.99Å
314R94Very high87Confident78 Ų7862.2 Ų62.229%0.29431%0.314SS..EExtended strand (participates in β ladder)trans-104.7115.6171.3-172.5178.1-75.5-178.10.6108.6W66 L316 L326W66-R314 HydrophobicContact CE3-CB 4.31Å; W66-R314 HydrophobicContact CE3-CG 4.43Å; W66-R314 HydrophobicContact CH2-CB 3.89Å; W66-R314 HydrophobicContact CZ3-CB 3.71Å; W66-R314 HydrophobicContact CZ3-CG 4.29Å; R314-L316 HydrophobicContact CG-CD2 3.99Å; R314-L316 HydrophobicContact CG-CG 4.24Å; R314-L326 HydrophobicContact CG-CD1 3.18Å
315V95.4Very high86.7Confident16 Ų1663.1 Ų63.110%0.09732%0.319CS..EExtended strand (participates in β ladder)trans-90.4115.3175.8-177.40000108.1L31 V313 C327 V343L31-V315 HydrophobicContact CD1-CG1 4.13Å; L31-V315 HydrophobicContact CD1-CG2 4Å; V313-V315 HydrophobicContact CG2-CG2 4.34Å; V315-C327 HydrophobicContact CB-CB 4.18Å; V315-C327 PolarHBondContact N-O 3.5Å; V315-C327 PolarHBondContact O-N 2.93Å; V315-V343 HydrophobicContact CG2-CG1 4.25Å
316L92.2Very high86.6Confident95 Ų9563.5 Ų63.550%0.49732%0.319SS..EExtended strand (participates in β ladder)trans-108.4116.1177.5-63.2179000109.2R314 Y324 L326R314-L316 HydrophobicContact CG-CD2 3.99Å; R314-L316 HydrophobicContact CG-CG 4.24Å; L316-Y324 HydrophobicContact CB-CD1 4.33Å; L316-L326 HydrophobicContact CD2-CD1 3.57Å
317R89.2Confident86.9Confident43 Ų4360.9 Ų60.916%0.16230%0.303CS..EExtended strand (participates in β ladder)trans-112.3125.5176.1-178.4179.2175.4-161.75.1110.2K319 Y324 S325 C349 L350 E351 E352R317-K319 PolarHBondContact O-N 2.82Å; R317-Y324 CarbonylContact O-C 3.53Å; R317-Y324 VanDerWaalsContact O-CA 3.24Å; R317-Y324 WeakPolarHBondContact O-CA 3.18Å; R317-S325 PolarHBondContact N-O 3.25Å; R317-S325 PolarHBondContact O-N 3.38Å; R317-C349 WeakPolarHBondContact CD-O 3.36Å; R317-C349 PolarHBondContact NH1-O 3.12Å; R317-L350 PolarHBondContact NH1-O 3.22Å; R317-L350 PolarHBondContact NH2-O 3.07Å; R317-L350 VanDerWaalsContact NH2-O 3.12Å; R317-E351 VanDerWaalsContact NH1-C 3.32Å; R317-E351 PolarHBondContact NH1-O 3.02Å; R317-E352 IonicContact NH2-OE1 2.76Å
318N84.7Confident87.3Confident82 Ų8258 Ų5844%0.43929%0.289SS..EExtended strand (participates in β ladder)trans-69122.2171-168.6-29.7000109Y320 G321 Y324N318-Y320 PolarHBondContact OD1-N 2.87Å; N318-G321 PolarHBondContact ND2-O 3.28Å; N318-G321 PolarHBondContact OD1-O 3.43Å; N318-Y324 HydrophobicContact CB-CD1 4.2Å; N318-Y324 HydrophobicContact CB-CE1 3.84Å
319K73.7Confident87.5Confident100 Ų10058 Ų5844%0.43529%0.289SS..EExtended strand (participates in β ladder)trans-94-57.9174.5-79.5-179.9159.9165.60110.4R317 M323 S325R317-K319 PolarHBondContact O-N 2.82Å; K319-M323 HydrophobicContact CB-CE 4.47Å; K319-M323 PolarHBondContact N-O 3.43Å; K319-S325 VanDerWaalsContact CE-CB 3.46Å; K319-S325 WeakPolarHBondContact CE-OG 3.37Å; K319-S325 PolarHBondContact NZ-OG 3.45Å
320Y73.3Confident87.7Confident184 Ų18457.4 Ų57.472%0.72229%0.286SS*.EExtended strand (participates in β ladder)trans-153128.2177.4-61.1-74.8000110N318 N322 M323N318-Y320 PolarHBondContact OD1-N 2.87Å; Y320-N322 PolarHBondContact O-N 3.02Å; Y320-N322 VanDerWaalsContact O-N 3.12Å; Y320-M323 WeakPolarHBondContact O-CB 3.34Å; Y320-M323 PolarHBondContact O-N 3.46Å
321G74Confident87.8Confident57 Ų5757.4 Ų57.459%0.58829%0.286SS*.THydrogen-bonded Turntrans54.8-116.2177.600000112.6N318N318-G321 PolarHBondContact ND2-O 3.28Å; N318-G321 PolarHBondContact OD1-O 3.43Å
322N68.5Low87.9Confident159 Ų15957.4 Ų57.485%0.8529%0.286SS*.THydrogen-bonded Turntrans-95.26.8179.6-68.3-28.9000113.8Y320 Y324Y320-N322 PolarHBondContact O-N 3.02Å; Y320-N322 VanDerWaalsContact O-N 3.12Å; N322-Y324 WeakPolarHBondContact O-CD2 3.31Å
323M71.4Confident87.7Confident114 Ų11457.5 Ų57.556%0.56229%0.286SS*.EExtended strand (participates in β ladder)trans-93.9119.9-179.3-161.8172.970.700111.1K319 Y320K319-M323 HydrophobicContact CB-CE 4.47Å; K319-M323 PolarHBondContact N-O 3.43Å; Y320-M323 WeakPolarHBondContact O-CB 3.34Å; Y320-M323 PolarHBondContact O-N 3.46Å
324Y77.1Confident87.5Confident129 Ų12959 Ų5951%0.50629%0.292SS..EExtended strand (participates in β ladder)trans-108.4136.7179.3-67.4-94.6000111.1L316 R317 N318 N322L316-Y324 HydrophobicContact CB-CD1 4.33Å; R317-Y324 CarbonylContact O-C 3.53Å; R317-Y324 VanDerWaalsContact O-CA 3.24Å; R317-Y324 WeakPolarHBondContact O-CA 3.18Å; N318-Y324 HydrophobicContact CB-CD1 4.2Å; N318-Y324 HydrophobicContact CB-CE1 3.84Å; N322-Y324 WeakPolarHBondContact O-CD2 3.31Å
325S82.8Confident87.2Confident25 Ų2563.5 Ų63.518%0.17531%0.314CS..EExtended strand (participates in β ladder)trans-78.9131.9161.5-150.50000109R317 K319R317-S325 PolarHBondContact N-O 3.25Å; R317-S325 PolarHBondContact O-N 3.38Å; K319-S325 VanDerWaalsContact CE-CB 3.46Å; K319-S325 WeakPolarHBondContact CE-OG 3.37Å; K319-S325 PolarHBondContact NZ-OG 3.45Å
326L89.3Confident86.8Confident54 Ų5468.5 Ų68.528%0.28335%0.35SS..EExtended strand (participates in β ladder)trans-103.9124.8177.1179.667.3000109.6R314 L316R314-L326 HydrophobicContact CG-CD1 3.18Å; L316-L326 HydrophobicContact CD2-CD1 3.57Å
327C94.9Very high86.6Confident7 Ų765.8 Ų65.85%0.04735%0.345CS..EExtended strand (participates in β ladder)trans-130.5159.6168-80.70000110.9S118 V315 C349S118-C327 CarbonylContact O-C 3.59Å; S118-C327 WeakPolarHBondContact O-CA 3.08Å; S118-C327 WeakPolarHBondContact O-CB 3.31Å; V315-C327 HydrophobicContact CB-CB 4.18Å; V315-C327 PolarHBondContact N-O 3.5Å; V315-C327 PolarHBondContact O-N 2.93Å; C327-C349 HydrophobicContact CB-CB 3.75Å; C327-C349 WeakPolarHBondContact CB-SG 3.47Å; C327-C349 WeakPolarHBondContact SG-CB 3.11Å; C327-C349 CovalentContact SG-SG 2.03Å; C327-C349 PolarHBondContact SG-SG 2.91Å
328G96.3Very high86.7Confident0 Ų068.8 Ų68.80%036%0.364CS..EExtended strand (participates in β ladder)trans-78.2171.4162.400000112.1S118 G119 T345S118-G328 PolarHBondContact O-N 2.86Å; G119-G328 VanDerWaalsContact C-C 3.43Å; G119-G328 CarbonylContact C-O 3.39Å; G119-G328 VanDerWaalsContact C-O 3.26Å; G119-G328 CarbonylContact O-C 3.6Å; G328-T345 PolarHBondContact O-OG1 3.29Å
329G98.4Very high87.1Confident0 Ų066.6 Ų66.60%036%0.355CS..EExtended strand (participates in β ladder)trans-172.3180172.300000109.6G119 Q312 V313 L344G119-G329 WeakPolarHBondContact O-CA 3.35Å; G119-G329 PolarHBondContact O-N 3.42Å; Q312-G329 PolarHBondContact NE2-O 3.44Å; V313-G329 PolarHBondContact N-O 3.42Å; V313-G329 PolarHBondContact O-N 3.02Å; G329-L344 CarbonylContact C-O 3.51Å; G329-L344 VanDerWaalsContact CA-O 3.23Å; G329-L344 WeakPolarHBondContact CA-O 3.49Å
330S98.8Very high88.1Confident0 Ų062 Ų620%034%0.336CS..EExtended strand (participates in β ladder)trans-142136-178.342.70000111Q132 W311 I332 V343 L344Q132-S330 PolarHBondContact NE2-OG 3.38Å; Q132-S330 VanDerWaalsContact NE2-OG 3.13Å; Q132-S330 PolarHBondContact OE1-OG 3.29Å; W311-S330 CarbonylContact O-C 3.52Å; W311-S330 VanDerWaalsContact O-CA 3.31Å; W311-S330 WeakPolarHBondContact O-CA 3.19Å; S330-I332 PolarHBondContact O-N 3.48Å; S330-V343 CarbonylContact O-C 3.26Å; S330-V343 VanDerWaalsContact O-CA 3.26Å; S330-V343 WeakPolarHBondContact O-CA 3.15Å; S330-L344 PolarHBondContact N-O 2.86Å; S330-L344 PolarHBondContact O-N 2.85Å; S330-L344 PolarHBondContact OG-O 3.35Å
331L98.7Very high89.2Confident10 Ų1054.9 Ų54.95%0.05231%0.31CS..EExtended strand (participates in β ladder)trans-67128.2165.9-67.7171.3000108.8L33 T43 P45 V46 W311 V313 T340 L342 V343L33-L331 HydrophobicContact CD1-CD2 4.22Å; T43-L331 HydrophobicContact CG2-CD1 3.49Å; T43-L331 VanDerWaalsContact CG2-CD1 3.49Å; P45-L331 CarbonylContact C-O 3.41Å; P45-L331 WeakPolarHBondContact CA-O 3.31Å; P45-L331 HydrophobicContact CB-CB 4.36Å; P45-L331 WeakPolarHBondContact CB-O 3.46Å; V46-L331 PolarHBondContact N-O 3.16Å; W311-L331 HydrophobicContact CB-CB 4.35Å; W311-L331 PolarHBondContact O-N 3.46Å; V313-L331 HydrophobicContact CG1-CD1 4.33Å; V313-L331 HydrophobicContact CG1-CD2 4.01Å; V313-L331 HydrophobicContact CG1-CG 3.69Å; L331-T340 HydrophobicContact CB-CG2 4.08Å; L331-T340 HydrophobicContact CD1-CG2 4Å; L331-T340 HydrophobicContact CD2-CG2 4.03Å; L331-T340 HydrophobicContact CG-CG2 4.26Å; L331-L342 WeakPolarHBondContact CA-O 3.45Å; L331-V343 HydrophobicContact CD2-CG2 3.82Å
332I98.5Very high90.4Very high0 Ų052.5 Ų52.50%028%0.284CS..EExtended strand (participates in β ladder)trans-124.6161.6176.258.6158.3000109.8L30 V46 L48 S330 T340 L342 L344L30-I332 HydrophobicContact CD1-CD1 3.77Å; V46-I332 HydrophobicContact CG1-CG2 3.95Å; L48-I332 HydrophobicContact CD1-CB 4.47Å; L48-I332 HydrophobicContact CD1-CD1 4.14Å; L48-I332 HydrophobicContact CD2-CB 4.31Å; L48-I332 HydrophobicContact CD2-CD1 4.41Å; L48-I332 HydrophobicContact CD2-CG2 3.9Å; L48-I332 HydrophobicContact CG-CB 4.35Å; L48-I332 HydrophobicContact CG-CG2 4.39Å; S330-I332 PolarHBondContact O-N 3.48Å; I332-T340 PolarHBondContact O-OG1 3.08Å; I332-L342 HydrophobicContact CD1-CB 4.29Å; I332-L342 HydrophobicContact CG1-CB 3.76Å; I332-L342 PolarHBondContact N-O 3.08Å; I332-L344 HydrophobicContact CD1-CB 4.03Å; I332-L344 HydrophobicContact CG1-CB 4.21Å; I332-L344 HydrophobicContact CG2-CB 3.77Å; I332-L344 HydrophobicContact CG2-CD2 4.24Å
333Q93.7Very high91.9Very high26 Ų2645.1 Ų45.112%0.12125%0.245CC..  trans-138.7139.2170.768-179.9-4.700110.4H39 P45 C278 K335H39-Q333 PolarHBondContact CE1-OE1 3.16Å; P45-Q333 HydrophobicContact CB-CB 4.07Å; P45-Q333 HydrophobicContact CB-CG 3.98Å; P45-Q333 HydrophobicContact CG-CB 3.8Å; P45-Q333 HydrophobicContact CG-CG 3.45Å; P45-Q333 VanDerWaalsContact CG-CG 3.45Å; C278-Q333 HydrophobicContact CB-CG 4.4Å; Q333-K335 PolarHBondContact OE1-O 2.95Å
334L93Very high93.2Very high59 Ų5939.7 Ų39.731%0.30922%0.218SC..SBendtrans-94.2-16.5176.9-63172.9000112.6L48 A165 L342L48-L334 HydrophobicContact CD1-CD2 3.64Å; A165-L334 HydrophobicContact CB-CD1 3.19Å; L334-L342 HydrophobicContact CD1-CD1 3.77Å; L334-L342 HydrophobicContact CG-CD1 3.97Å
335K87.1Confident94.2Very high173 Ų17333.6 Ų33.675%0.75219%0.194SC*.SBendtrans-141.4147.7178-64.4-175.9178.7-1770108.3Q333Q333-K335 PolarHBondContact OE1-O 2.95Å
336S87.4Confident94.9Very high122 Ų12232.4 Ų32.485%0.85319%0.186SC*.  trans-60.9139.1173.1-55.80000110.6
337G88.5Confident95.4Very high38 Ų3829.8 Ų29.839%0.39217%0.172SC..  trans-168.2178.6178.800000111.3H39H39-G337 PolarHBondContact CE1-O 3.21Å; H39-G337 PolarHBondContact ND1-O 3.49Å
338N90.1Very high95.4Very high106 Ų10631.5 Ų31.557%0.56718%0.179SC*.SBendtrans-96.25.5173.463.9-9.4000112.6M38 H39M38-N338 HydrophobicContact CE-CB 4.16Å; M38-N338 WeakPolarHBondContact CE-O 3.32Å; H39-N338 WeakPolarHBondContact CB-O 3.33Å; H39-N338 PolarHBondContact N-O 2.79Å
339S93.3Very high95.3Very high36 Ų3631.8 Ų31.825%0.25218%0.181SC..EExtended strand (participates in β ladder)trans-149.9156.9176.663.70000111.6V37V37-S339 CarbonylContact O-C 3.4Å; V37-S339 WeakPolarHBondContact O-CA 2.83Å; V37-S339 VanDerWaalsContact O-CB 3.31Å; V37-S339 WeakPolarHBondContact O-CB 3.4Å
340T95.5Very high95.1Very high4 Ų432.3 Ų32.33%0.02518%0.184CC..EExtended strand (participates in β ladder)trans-131.3142.7176.1172.10000110V37 H39 L331 I332V37-T340 PolarHBondContact N-O 3.27Å; V37-T340 PolarHBondContact O-N 3.03Å; H39-T340 PolarHBondContact NE2-N 2.89Å; L331-T340 HydrophobicContact CB-CG2 4.08Å; L331-T340 HydrophobicContact CD1-CG2 4Å; L331-T340 HydrophobicContact CD2-CG2 4.03Å; L331-T340 HydrophobicContact CG-CG2 4.26Å; I332-T340 PolarHBondContact O-OG1 3.08Å
341D97Very high94.4Very high34 Ų3434.1 Ų34.118%0.18219%0.192CC..EExtended strand (participates in β ladder)trans-135.612.7-17866.5-7000113.3R32 L33 A36 S171R32-D341 IonicContact CZ-OD1 2.61Å; R32-D341 IonicContact CZ-OD2 3.76Å; R32-D341 IonicContact NH1-OD1 2.97Å; R32-D341 PolarHBondContact NH1-OD1 2.82Å; R32-D341 IonicContact NH1-OD2 2.71Å; R32-D341 PolarHBondContact NH1-OD2 3.33Å; L33-D341 PolarHBondContact N-O 3.13Å; A36-D341 HydrophobicContact CB-CB 3.83Å; S171-D341 WeakPolarHBondContact CB-OD2 3.25Å; S171-D341 WeakPolarHBondContact OG-CB 3.48Å; S171-D341 PolarHBondContact OG-OD2 2.88Å
342L98.6Very high92.9Very high6 Ų641.6 Ų41.63%0.03123%0.227CC..EExtended strand (participates in β ladder)trans-115.7134.7-179.1-69.1176.8000110.5L30 L31 A165 L331 I332 L334L30-L342 HydrophobicContact CD1-CB 4.21Å; L30-L342 HydrophobicContact CD1-CD2 4.03Å; L30-L342 HydrophobicContact CD1-CG 4.49Å; L30-L342 HydrophobicContact CD2-CD2 4.29Å; L30-L342 HydrophobicContact CG-CD2 4.22Å; L31-L342 WeakPolarHBondContact O-CA 3.46Å; A165-L342 HydrophobicContact CB-CD1 3.88Å; A165-L342 HydrophobicContact CB-CD2 4.4Å; L331-L342 WeakPolarHBondContact CA-O 3.45Å; I332-L342 HydrophobicContact CD1-CB 4.29Å; I332-L342 HydrophobicContact CG1-CB 3.76Å; I332-L342 PolarHBondContact N-O 3.08Å; L334-L342 HydrophobicContact CD1-CD1 3.77Å; L334-L342 HydrophobicContact CG-CD1 3.97Å
343V98.8Very high90.8Very high5 Ų553 Ų533%0.0327%0.27CS..EExtended strand (participates in β ladder)trans-119.6128.3172.5169.40000109.7L31 L33 V313 V315 S330 L331L31-V343 HydrophobicContact CB-CB 3.95Å; L31-V343 HydrophobicContact CB-CG1 4.48Å; L31-V343 HydrophobicContact CD1-CB 4.15Å; L31-V343 HydrophobicContact CD1-CG1 3.77Å; L31-V343 PolarHBondContact N-O 2.82Å; L31-V343 PolarHBondContact O-N 2.81Å; L33-V343 HydrophobicContact CD1-CG2 4.44Å; L33-V343 HydrophobicContact CD2-CG2 3.97Å; L33-V343 HydrophobicContact CG-CG2 4.33Å; V313-V343 HydrophobicContact CG1-CG2 4.39Å; V313-V343 HydrophobicContact CG2-CB 4.43Å; V313-V343 HydrophobicContact CG2-CG1 3.5Å; V313-V343 HydrophobicContact CG2-CG2 3.99Å; V315-V343 HydrophobicContact CG2-CG1 4.25Å; S330-V343 CarbonylContact O-C 3.26Å; S330-V343 VanDerWaalsContact O-CA 3.26Å; S330-V343 WeakPolarHBondContact O-CA 3.15Å; L331-V343 HydrophobicContact CD2-CG2 3.82Å
344L98.9Very high90.6Very high0 Ų054.3 Ų54.30%028%0.277CS..EExtended strand (participates in β ladder)trans-94.3131.2170.3178.158.2000109.7I28 A29 L48 V135 V154 L161 G329 S330 I332I28-L344 HydrophobicContact CD1-CD1 3.81Å; I28-L344 HydrophobicContact CG1-CD1 3.56Å; A29-L344 WeakPolarHBondContact O-CD1 3.41Å; L48-L344 HydrophobicContact CD2-CD2 4.17Å; V135-L344 HydrophobicContact CG2-CD1 4.26Å; V135-L344 HydrophobicContact CG2-CD2 4.14Å; V135-L344 HydrophobicContact CG2-CG 3.94Å; V154-L344 HydrophobicContact CG1-CD2 4.18Å; V154-L344 HydrophobicContact CG2-CD2 4.15Å; L161-L344 HydrophobicContact CD1-CD1 4.38Å; L161-L344 HydrophobicContact CD1-CD2 4.43Å; L161-L344 HydrophobicContact CD2-CD1 3.89Å; G329-L344 CarbonylContact C-O 3.51Å; G329-L344 VanDerWaalsContact CA-O 3.23Å; G329-L344 WeakPolarHBondContact CA-O 3.49Å; S330-L344 PolarHBondContact N-O 2.86Å; S330-L344 PolarHBondContact O-N 2.85Å; S330-L344 PolarHBondContact OG-O 3.35Å; I332-L344 HydrophobicContact CD1-CB 4.03Å; I332-L344 HydrophobicContact CG1-CB 4.21Å; I332-L344 HydrophobicContact CG2-CB 3.77Å; I332-L344 HydrophobicContact CG2-CD2 4.24Å
345T98.7Very high90.5Very high0 Ų054.1 Ų54.10%028%0.276CS..EExtended strand (participates in β ladder)trans-151.7-173.5177.8-168.60000110.5A29 L31 G119 G328 L350A29-T345 HydrophobicContact CB-CG2 4.01Å; A29-T345 PolarHBondContact N-O 3Å; A29-T345 PolarHBondContact O-N 3.04Å; L31-T345 HydrophobicContact CD1-CG2 3.56Å; L31-T345 HydrophobicContact CG-CG2 4.18Å; G119-T345 WeakPolarHBondContact CA-OG1 3.44Å; G328-T345 PolarHBondContact O-OG1 3.29Å; T345-L350 HydrophobicContact CG2-CD1 4.45Å
346A98.5Very high90.7Very high0 Ų047.4 Ų47.40%025%0.249CC..  trans-86.1149.517800000111.8D27 V135 C349D27-A346 WeakPolarHBondContact OD1-CB 3.04Å; V135-A346 HydrophobicContact CG1-CB 3.9Å; A346-C349 WeakPolarHBondContact O-CB 3.35Å; A346-C349 PolarHBondContact O-N 2.89Å
347A98Very high90.9Very high0 Ų043.1 Ų43.10%021%0.214CC..G310 helixtrans-66.6-40.2177.100000111.8Y16 F19 D27 C349 L350 E351Y16-A347 HydrophobicContact CD2-CB 4.34Å; Y16-A347 HydrophobicContact CG-CB 4.15Å; F19-A347 HydrophobicContact CB-CB 3.51Å; F19-A347 HydrophobicContact CD1-CB 4Å; F19-A347 HydrophobicContact CD2-CB 3.91Å; F19-A347 HydrophobicContact CG-CB 3.53Å; D27-A347 WeakPolarHBondContact OD1-CA 3.48Å; D27-A347 PolarHBondContact OD1-N 3.19Å; A347-C349 PolarHBondContact O-N 2.95Å; A347-L350 PolarHBondContact O-N 2.94Å; A347-E351 PolarHBondContact O-N 3.05Å
348H95.6Very high91.1Very high43 Ų4343.4 Ų43.420%0.19920%0.202CC..G310 helixtrans-64-16.2-179.778.6-100.1000113.6F19 D27 S118 S137 L350F19-H348 HydrophobicContact CE1-CB 3.8Å; F19-H348 HydrophobicContact CZ-CB 3.73Å; D27-H348 VanDerWaalsContact CG-ND1 3.31Å; D27-H348 IonicContact OD1-CG 2.89Å; D27-H348 PolarHBondContact OD1-N 3.26Å; D27-H348 IonicContact OD1-ND1 2.84Å; D27-H348 PolarHBondContact OD1-ND1 3.32Å; D27-H348 VanDerWaalsContact OD1-ND1 3.14Å; D27-H348 IonicContact OD2-CE1 3.36Å; D27-H348 PolarHBondContact OD2-CE1 2.77Å; D27-H348 IonicContact OD2-CG 2.86Å; D27-H348 IonicContact OD2-ND1 3.55Å; D27-H348 PolarHBondContact OD2-ND1 2.62Å; S118-H348 WeakPolarHBondContact CB-NE2 3.48Å; S118-H348 PolarHBondContact OG-NE2 2.71Å; S137-H348 PolarHBondContact O-CE1 3.39Å; S137-H348 VanDerWaalsContact O-CE1 3.26Å; H348-L350 VanDerWaalsContact C-N 3.27Å
349C95Very high91.1Very high5 Ų539.2 Ų39.23%0.03418%0.178CC..G310 helixtrans-70.6-25.9171.5-68.30000112.5R317 C327 A346 A347R317-C349 WeakPolarHBondContact CD-O 3.36Å; R317-C349 PolarHBondContact NH1-O 3.12Å; C327-C349 HydrophobicContact CB-CB 3.75Å; C327-C349 WeakPolarHBondContact CB-SG 3.47Å; C327-C349 WeakPolarHBondContact SG-CB 3.11Å; C327-C349 CovalentContact SG-SG 2.03Å; C327-C349 PolarHBondContact SG-SG 2.91Å; A346-C349 WeakPolarHBondContact O-CB 3.35Å; A346-C349 PolarHBondContact O-N 2.89Å; A347-C349 PolarHBondContact O-N 2.95Å
350L93.1Very high91Very high11 Ų1139.4 Ų39.46%0.05817%0.173CC..THydrogen-bonded Turntrans-110.6-16.8-173.4-52.9-176.5000113.5Y14 A29 L31 R317 T345 A347 H348Y14-L350 HydrophobicContact CD2-CB 4.3Å; Y14-L350 HydrophobicContact CD2-CD1 3.57Å; Y14-L350 HydrophobicContact CD2-CG 4.48Å; Y14-L350 HydrophobicContact CE2-CB 4.11Å; Y14-L350 HydrophobicContact CE2-CD1 4.22Å; Y14-L350 HydrophobicContact CG-CD1 4.09Å; A29-L350 HydrophobicContact CB-CD1 3.5Å; A29-L350 VanDerWaalsContact CB-CD1 3.5Å; A29-L350 HydrophobicContact CB-CG 4.32Å; L31-L350 HydrophobicContact CD2-CD1 3.82Å; L31-L350 HydrophobicContact CD2-CD2 4.05Å; L31-L350 HydrophobicContact CG-CD1 4.27Å; R317-L350 PolarHBondContact NH1-O 3.22Å; R317-L350 PolarHBondContact NH2-O 3.07Å; R317-L350 VanDerWaalsContact NH2-O 3.12Å; T345-L350 HydrophobicContact CG2-CD1 4.45Å; A347-L350 PolarHBondContact O-N 2.94Å; H348-L350 VanDerWaalsContact C-N 3.27Å
351E84.7Confident90.6Very high39 Ų3942.2 Ų42.218%0.18218%0.184CC..SBendtrans-73.3139.9176.4-167.5161.6-133.600112.1F19 T21 R317 A347F19-E351 WeakPolarHBondContact CD1-OE2 3.39Å; F19-E351 WeakPolarHBondContact CE1-OE2 3.01Å; T21-E351 WeakPolarHBondContact CG2-OE2 3.18Å; R317-E351 VanDerWaalsContact NH1-C 3.32Å; R317-E351 PolarHBondContact NH1-O 3.02Å; A347-E351 PolarHBondContact O-N 3.05Å
352E67.1Low90.1Very high167 Ų16742.8 Ų42.878%0.7818%0.184SC*.  trans-79.7114.1168-67.2-177.6179.300107.6R317R317-E352 IonicContact NH2-OE1 2.76Å
353R54.2Low89.3Confident238 Ų23846.2 Ų46.290%0.89820%0.198SC*.  trans-89.90168.8-78.7-166.3179.6-179.60.7110.7

Retrieved 353 of 353 residues in 309.5 ms (Link to these results)

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