A0A077ZMJ8_TRITR Loading...

DUF1758 and Peptidase A17 domain containing prote in

AlphaFold DB , UniProt , Accession A0A077ZMJ8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 845 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
1M66.8Low85.6Confident135 Ų13584.8 Ų84.867%0.66539%0.385SS*.  0128.30-93.3-172155.900112.2Q5 R6 T9M1-Q5 HydrophobicContact CB-CB 4.07Å; M1-Q5 HydrophobicContact CE-CB 3.88Å; M1-Q5 HydrophobicContact CG-CB 3.72Å; M1-Q5 HydrophobicContact SD-CB 4.08Å; M1-R6 HydrophobicContact CB-CG 3.88Å; M1-R6 PolarHBondContact O-NE 3.35Å; M1-R6 HydrophobicContact SD-CG 4.39Å; M1-T9 WeakPolarHBondContact CE-OG1 3.47Å
2N81Confident85.5Confident91 Ų9185 Ų8549%0.48739%0.387SS..  trans-71.9164.1167.567.233.9000111K4 Q5 R6N2-K4 PolarHBondContact O-N 3.31Å; N2-K4 WeakPolarHBondContact OD1-CB 3.4Å; N2-K4 PolarHBondContact OD1-N 3.03Å; N2-Q5 WeakPolarHBondContact O-CB 3.35Å; N2-Q5 PolarHBondContact O-N 2.89Å; N2-Q5 VanDerWaalsContact O-N 3.07Å; N2-Q5 WeakPolarHBondContact OD1-CB 3.34Å; N2-Q5 VanDerWaalsContact OD1-CG 3.28Å; N2-Q5 WeakPolarHBondContact OD1-CG 3.31Å; N2-Q5 PolarHBondContact OD1-N 3.07Å; N2-R6 WeakPolarHBondContact O-CG 3.22Å; N2-R6 PolarHBondContact O-N 2.77Å
3V86.1Confident85.6Confident29 Ų2982.2 Ų82.218%0.17638%0.375CS..Hα-helixtrans-57.8-36.7-176.8173.80000111.7Q5 R6 W7 L49 H50 Y51V3-Q5 PolarHBondContact O-N 3.21Å; V3-R6 PolarHBondContact O-N 3.38Å; V3-W7 PolarHBondContact O-N 3.19Å; V3-L49 VanDerWaalsContact CG1-O 3.31Å; V3-L49 WeakPolarHBondContact CG1-O 3.23Å; V3-H50 WeakPolarHBondContact CG2-O 3.5Å; V3-Y51 HydrophobicContact CB-CD1 4.32Å; V3-Y51 HydrophobicContact CB-CE1 4.34Å; V3-Y51 HydrophobicContact CG1-CD1 3.8Å; V3-Y51 HydrophobicContact CG1-CD2 4.17Å; V3-Y51 HydrophobicContact CG1-CE1 3.87Å; V3-Y51 HydrophobicContact CG1-CE2 4.25Å; V3-Y51 HydrophobicContact CG1-CG 3.95Å
4K85.7Confident85.5Confident132 Ų13291.1 Ų91.157%0.57440%0.404SS*.Hα-helixtrans-62.9-41.5176.4-164.4174.8-175175.10112.3N2 W7 R8N2-K4 PolarHBondContact O-N 3.31Å; N2-K4 WeakPolarHBondContact OD1-CB 3.4Å; N2-K4 PolarHBondContact OD1-N 3.03Å; K4-W7 PolarHBondContact O-N 3.44Å; K4-R8 PolarHBondContact O-N 3.24Å
5Q86.5Confident85.9Confident85 Ų8586.1 Ų86.140%0.39738%0.383SS..Hα-helixtrans-66.5-41.5173.6-75.9171.1-23.700111.1M1 N2 V3 R8 T9M1-Q5 HydrophobicContact CB-CB 4.07Å; M1-Q5 HydrophobicContact CE-CB 3.88Å; M1-Q5 HydrophobicContact CG-CB 3.72Å; M1-Q5 HydrophobicContact SD-CB 4.08Å; N2-Q5 WeakPolarHBondContact O-CB 3.35Å; N2-Q5 PolarHBondContact O-N 2.89Å; N2-Q5 VanDerWaalsContact O-N 3.07Å; N2-Q5 WeakPolarHBondContact OD1-CB 3.34Å; N2-Q5 VanDerWaalsContact OD1-CG 3.28Å; N2-Q5 WeakPolarHBondContact OD1-CG 3.31Å; N2-Q5 PolarHBondContact OD1-N 3.07Å; V3-Q5 PolarHBondContact O-N 3.21Å; Q5-R8 WeakPolarHBondContact O-CB 3.41Å; Q5-R8 PolarHBondContact O-N 2.66Å; Q5-T9 WeakPolarHBondContact O-CB 3.21Å; Q5-T9 PolarHBondContact O-N 3.4Å; Q5-T9 PolarHBondContact O-OG1 2.8Å
6R91.1Very high86.1Confident85 Ų8580.8 Ų80.832%0.32136%0.36SS..Hα-helixtrans-62.2-43.5175.1-63.4176.5-172.6169.9-1.7111.6M1 N2 V3 T9 V10 L48 L49M1-R6 HydrophobicContact CB-CG 3.88Å; M1-R6 PolarHBondContact O-NE 3.35Å; M1-R6 HydrophobicContact SD-CG 4.39Å; N2-R6 WeakPolarHBondContact O-CG 3.22Å; N2-R6 PolarHBondContact O-N 2.77Å; V3-R6 PolarHBondContact O-N 3.38Å; R6-T9 PolarHBondContact O-N 3.05Å; R6-V10 WeakPolarHBondContact O-CB 3.35Å; R6-V10 WeakPolarHBondContact O-CG2 3.26Å; R6-V10 PolarHBondContact O-N 2.85Å; R6-L48 WeakPolarHBondContact CD-O 3.17Å; R6-L48 PolarHBondContact NH1-O 3.38Å; R6-L49 HydrophobicContact CB-CD2 3.72Å
7W93.5Very high86.4Confident37 Ų3779.6 Ų79.614%0.1435%0.354CS..Hα-helixtrans-61.1-44.7173.4-91.6106000112.4V3 K4 V10 K11 F17 H45 L49 Y51V3-W7 PolarHBondContact O-N 3.19Å; K4-W7 PolarHBondContact O-N 3.44Å; W7-V10 PolarHBondContact O-N 3.06Å; W7-K11 HydrophobicContact CE3-CG 4.49Å; W7-K11 WeakPolarHBondContact O-CB 3.49Å; W7-K11 VanDerWaalsContact O-CG 3.29Å; W7-K11 WeakPolarHBondContact O-CG 3.46Å; W7-K11 PolarHBondContact O-N 3.09Å; W7-F17 HydrophobicContact CH2-CD2 4.19Å; W7-F17 HydrophobicContact CH2-CG 4.44Å; W7-F17 HydrophobicContact CZ3-CD1 4.39Å; W7-F17 AromaticContact CZ3-CD2 3.76Å; W7-F17 HydrophobicContact CZ3-CD2 3.76Å; W7-F17 AromaticContact CZ3-CE2 3.94Å; W7-F17 HydrophobicContact CZ3-CE2 3.94Å; W7-F17 HydrophobicContact CZ3-CG 4Å; W7-F17 HydrophobicContact CZ3-CZ 4.32Å; W7-H45 HydrophobicContact CH2-CB 4.04Å; W7-H45 HydrophobicContact CZ2-CB 4.01Å; W7-H45 AromaticContact CZ2-ND1 3.51Å; W7-L49 HydrophobicContact CD2-CB 4.45Å; W7-L49 HydrophobicContact CD2-CD2 4.29Å; W7-L49 HydrophobicContact CE3-CD1 4.47Å; W7-L49 HydrophobicContact CG-CD2 4.21Å; W7-L49 HydrophobicContact CH2-CD1 4.4Å; W7-L49 HydrophobicContact CZ2-CB 3.98Å; W7-L49 HydrophobicContact CZ2-CD1 4.42Å; W7-L49 HydrophobicContact CZ3-CD1 4.42Å; W7-L49 PolarHBondContact NE1-O 3.19Å; W7-Y51 AromaticContact CD1-CE2 3.35Å; W7-Y51 AromaticContact CD1-CZ 3.68Å; W7-Y51 HydrophobicContact CG-CE2 4.24Å; W7-Y51 AromaticContact NE1-CD2 3.73Å; W7-Y51 AromaticContact NE1-CE2 3.32Å; W7-Y51 VanDerWaalsContact NE1-CE2 3.32Å
8R88Confident86.7Confident155 Ų15575.7 Ų75.759%0.58534%0.337SS*.Hα-helixtrans-55.2-54.8172.3-96.5-173.7-166.5162.62.5109.9K4 Q5 V10 K11 E12K4-R8 PolarHBondContact O-N 3.24Å; Q5-R8 WeakPolarHBondContact O-CB 3.41Å; Q5-R8 PolarHBondContact O-N 2.66Å; R8-V10 VanDerWaalsContact C-N 3.34Å; R8-V10 PolarHBondContact O-N 3.43Å; R8-K11 PolarHBondContact O-N 3.19Å; R8-E12 WeakPolarHBondContact O-CB 3.2Å; R8-E12 VanDerWaalsContact O-CG 3.28Å; R8-E12 WeakPolarHBondContact O-CG 3.3Å; R8-E12 PolarHBondContact O-N 3.03Å
9T85.2Confident86.8Confident40 Ų4073.5 Ų73.525%0.24533%0.331CS..Hα-helixtrans-58.5-42.8-179.8-59.20000112.4M1 Q5 R6 E12 Q13M1-T9 WeakPolarHBondContact CE-OG1 3.47Å; Q5-T9 WeakPolarHBondContact O-CB 3.21Å; Q5-T9 PolarHBondContact O-N 3.4Å; Q5-T9 PolarHBondContact O-OG1 2.8Å; R6-T9 PolarHBondContact O-N 3.05Å; T9-E12 CarbonylContact O-C 3.46Å; T9-E12 WeakPolarHBondContact O-CB 3.3Å; T9-E12 PolarHBondContact O-N 3.34Å; T9-Q13 HydrophobicContact CG2-CG 3.79Å; T9-Q13 WeakPolarHBondContact O-CA 3.39Å; T9-Q13 WeakPolarHBondContact O-CB 3.02Å; T9-Q13 WeakPolarHBondContact O-CG 3.16Å; T9-Q13 PolarHBondContact O-N 3.47Å
10V90.5Very high86.9Confident13 Ų1372.1 Ų72.18%0.07933%0.327CS..Hα-helixtrans-68.2-41.3-179.6162.90000111.6R6 W7 R8 Q13 R14 V15 F17 L20 L49R6-V10 WeakPolarHBondContact O-CB 3.35Å; R6-V10 WeakPolarHBondContact O-CG2 3.26Å; R6-V10 PolarHBondContact O-N 2.85Å; W7-V10 PolarHBondContact O-N 3.06Å; R8-V10 VanDerWaalsContact C-N 3.34Å; R8-V10 PolarHBondContact O-N 3.43Å; V10-Q13 PolarHBondContact O-N 2.64Å; V10-R14 PolarHBondContact O-N 3.2Å; V10-V15 HydrophobicContact CB-CG2 3.85Å; V10-V15 HydrophobicContact CG1-CG2 3.44Å; V10-V15 VanDerWaalsContact CG1-CG2 3.44Å; V10-V15 HydrophobicContact CG2-CG2 3.77Å; V10-V15 PolarHBondContact O-N 3.33Å; V10-F17 HydrophobicContact CG1-CD1 3.22Å; V10-F17 HydrophobicContact CG1-CE1 3.52Å; V10-F17 HydrophobicContact CG1-CG 4.31Å; V10-L20 HydrophobicContact CG1-CD2 4.31Å; V10-L20 HydrophobicContact CG2-CD2 3.82Å; V10-L49 HydrophobicContact CB-CD1 4.25Å; V10-L49 HydrophobicContact CB-CD2 4.24Å; V10-L49 HydrophobicContact CG1-CD1 3.83Å; V10-L49 HydrophobicContact CG2-CD1 4.18Å; V10-L49 HydrophobicContact CG2-CD2 3.87Å; V10-L49 HydrophobicContact CG2-CG 4.48Å
11K87.1Confident86.9Confident131 Ų13174.8 Ų74.857%0.5734%0.34SS*.Hα-helixtrans-62.9-45.1171.7-71.5179.7179.8-1700111.5W7 R8 Q13 R14 F17W7-K11 HydrophobicContact CE3-CG 4.49Å; W7-K11 WeakPolarHBondContact O-CB 3.49Å; W7-K11 VanDerWaalsContact O-CG 3.29Å; W7-K11 WeakPolarHBondContact O-CG 3.46Å; W7-K11 PolarHBondContact O-N 3.09Å; R8-K11 PolarHBondContact O-N 3.19Å; K11-Q13 PolarHBondContact O-N 2.8Å; K11-R14 WeakPolarHBondContact O-CG 3.46Å; K11-R14 PolarHBondContact O-N 3.49Å; K11-F17 HydrophobicContact CG-CE1 4.31Å; K11-F17 HydrophobicContact CG-CZ 4Å
12E84.5Confident87.6Confident87 Ų8772 Ų7241%0.40732%0.324SS..Hα-helixtrans-63.6-38.2178.4-90.2-179-145.500113.1R8 T9 R14 R761R8-E12 WeakPolarHBondContact O-CB 3.2Å; R8-E12 VanDerWaalsContact O-CG 3.28Å; R8-E12 WeakPolarHBondContact O-CG 3.3Å; R8-E12 PolarHBondContact O-N 3.03Å; T9-E12 CarbonylContact O-C 3.46Å; T9-E12 WeakPolarHBondContact O-CB 3.3Å; T9-E12 PolarHBondContact O-N 3.34Å; E12-R14 VanDerWaalsContact C-N 3.31Å; E12-R761 VanDerWaalsContact CA-NH1 3.29Å; E12-R761 PolarHBondContact O-NH1 3.02Å; E12-R761 IonicContact OE2-CZ 2.75Å; E12-R761 IonicContact OE2-NH1 3.41Å; E12-R761 IonicContact OE2-NH2 3.83Å; E12-R761 PolarHBondContact OE2-NH2 3.25Å
13Q86.9Confident87.8Confident48 Ų4871 Ų7122%0.22434%0.335CS..Hα-helixtrans-85.1-8.5179.9-66.9-72.3-15.600112.5T9 V10 K11 V15 K22 R761T9-Q13 HydrophobicContact CG2-CG 3.79Å; T9-Q13 WeakPolarHBondContact O-CA 3.39Å; T9-Q13 WeakPolarHBondContact O-CB 3.02Å; T9-Q13 WeakPolarHBondContact O-CG 3.16Å; T9-Q13 PolarHBondContact O-N 3.47Å; V10-Q13 PolarHBondContact O-N 2.64Å; K11-Q13 PolarHBondContact O-N 2.8Å; Q13-V15 HydrophobicContact CB-CG1 4.14Å; Q13-V15 PolarHBondContact O-N 3.28Å; Q13-K22 WeakPolarHBondContact O-CE 3.28Å; Q13-R761 PolarHBondContact OE1-O 3.13Å
14R84.5Confident87.8Confident207 Ų20772.7 Ų72.778%0.78134%0.341SS*.THydrogen-bonded Turntrans45.949.2-175.7-60.3-176-178.7-177.60.4111.6V10 K11 E12V10-R14 PolarHBondContact O-N 3.2Å; K11-R14 WeakPolarHBondContact O-CG 3.46Å; K11-R14 PolarHBondContact O-N 3.49Å; E12-R14 VanDerWaalsContact C-N 3.31Å
15V90.7Very high87.7Confident16 Ų1669.3 Ų69.310%0.09733%0.334CS..  trans-90.5152.1171.9-68.40000109.5V10 Q13 F17 L20 K22V10-V15 HydrophobicContact CB-CG2 3.85Å; V10-V15 HydrophobicContact CG1-CG2 3.44Å; V10-V15 VanDerWaalsContact CG1-CG2 3.44Å; V10-V15 HydrophobicContact CG2-CG2 3.77Å; V10-V15 PolarHBondContact O-N 3.33Å; Q13-V15 HydrophobicContact CB-CG1 4.14Å; Q13-V15 PolarHBondContact O-N 3.28Å; V15-F17 VanDerWaalsContact O-CD1 3.31Å; V15-F17 WeakPolarHBondContact O-CD1 3.32Å; V15-F17 PolarHBondContact O-N 2.99Å; V15-L20 HydrophobicContact CG2-CD2 4.47Å; V15-K22 HydrophobicContact CG1-CD 4.18Å; V15-K22 HydrophobicContact CG1-CG 3.37Å
16C88.7Confident87.5Confident1 Ų166.5 Ų66.51%0.00732%0.324CS..  trans-55.8130.9171.6175.10000109.7I18 C19 L20 Q21 H24C16-I18 PolarHBondContact O-N 2.8Å; C16-I18 PolarHBondContact SG-N 3.23Å; C16-C19 VanDerWaalsContact CB-SG 3.58Å; C16-L20 WeakPolarHBondContact O-CA 3.32Å; C16-L20 PolarHBondContact O-N 2.87Å; C16-Q21 PolarHBondContact N-O 2.97Å; C16-H24 WeakPolarHBondContact CB-NE2 3.49Å; C16-H24 WeakPolarHBondContact CB-O 3.27Å; C16-H24 VanDerWaalsContact SG-CD2 3.59Å; C16-H24 PolarHBondContact SG-NE2 2.95Å; C16-H24 VanDerWaalsContact SG-NE2 3.42Å
17F92.3Very high86.9Confident61 Ų6166 Ų6627%0.26834%0.337SS..THydrogen-bonded Turntrans-71.4-22.2-176.7-56.5-21.3000111.8W7 V10 K11 V15 S26 H45 H46 L49W7-F17 HydrophobicContact CH2-CD2 4.19Å; W7-F17 HydrophobicContact CH2-CG 4.44Å; W7-F17 HydrophobicContact CZ3-CD1 4.39Å; W7-F17 AromaticContact CZ3-CD2 3.76Å; W7-F17 HydrophobicContact CZ3-CD2 3.76Å; W7-F17 AromaticContact CZ3-CE2 3.94Å; W7-F17 HydrophobicContact CZ3-CE2 3.94Å; W7-F17 HydrophobicContact CZ3-CG 4Å; W7-F17 HydrophobicContact CZ3-CZ 4.32Å; V10-F17 HydrophobicContact CG1-CD1 3.22Å; V10-F17 HydrophobicContact CG1-CE1 3.52Å; V10-F17 HydrophobicContact CG1-CG 4.31Å; K11-F17 HydrophobicContact CG-CE1 4.31Å; K11-F17 HydrophobicContact CG-CZ 4Å; V15-F17 VanDerWaalsContact O-CD1 3.31Å; V15-F17 WeakPolarHBondContact O-CD1 3.32Å; V15-F17 PolarHBondContact O-N 2.99Å; F17-S26 WeakPolarHBondContact CB-OG 3.48Å; F17-S26 PolarHBondContact N-OG 3.33Å; F17-S26 VanDerWaalsContact N-OG 3.1Å; F17-H45 HydrophobicContact CB-CB 4.42Å; F17-H45 CarbonylContact O-C 3.36Å; F17-H45 VanDerWaalsContact O-CA 3.27Å; F17-H45 WeakPolarHBondContact O-CA 3.41Å; F17-H46 WeakPolarHBondContact O-CB 3.49Å; F17-H46 PolarHBondContact O-N 3.12Å; F17-L49 HydrophobicContact CB-CD1 4.4Å
18I90.8Very high86.3Confident9 Ų973.9 Ų73.95%0.04637%0.367CS..THydrogen-bonded Turntrans-79.1-53.9-178.3-65.1170.5000111.5C16 S26 C29 A31 G34 L44 H46C16-I18 PolarHBondContact O-N 2.8Å; C16-I18 PolarHBondContact SG-N 3.23Å; I18-S26 WeakPolarHBondContact CD1-O 3.38Å; I18-C29 HydrophobicContact CB-CB 4.48Å; I18-C29 HydrophobicContact CD1-CB 4Å; I18-A31 HydrophobicContact CG2-CB 4.48Å; I18-G34 WeakPolarHBondContact CG2-O 3.31Å; I18-L44 HydrophobicContact CD1-CB 4.23Å; I18-L44 HydrophobicContact CD1-CD2 4.29Å; I18-L44 HydrophobicContact CG1-CB 4.22Å; I18-H46 WeakPolarHBondContact O-CB 3.2Å; I18-H46 PolarHBondContact O-CD2 2.9Å
19C88.6Confident86.1Confident34 Ų3466.6 Ų66.623%0.2334%0.34CS..THydrogen-bonded Turntrans-104.9-4.7-174.168.10000114.4C16 Q21 H24C16-C19 VanDerWaalsContact CB-SG 3.58Å; C19-Q21 HydrophobicContact CB-CG 4.4Å; C19-Q21 PolarHBondContact O-N 3Å; C19-Q21 VanDerWaalsContact SG-CB 3.59Å; C19-Q21 PolarHBondContact SG-N 3.05Å; C19-H24 PolarHBondContact SG-CE1 2.82Å; C19-H24 PolarHBondContact SG-NE2 2.68Å
20L89.3Confident85.8Confident45 Ų4574 Ų7424%0.23637%0.372CS..  trans58.211.1-174.2-53.7-178.8000115V10 V15 C16 H46 L48 L49V10-L20 HydrophobicContact CG1-CD2 4.31Å; V10-L20 HydrophobicContact CG2-CD2 3.82Å; V15-L20 HydrophobicContact CG2-CD2 4.47Å; C16-L20 WeakPolarHBondContact O-CA 3.32Å; C16-L20 PolarHBondContact O-N 2.87Å; L20-H46 HydrophobicContact CD1-CB 3.87Å; L20-H46 WeakPolarHBondContact CD1-ND1 3.36Å; L20-H46 HydrophobicContact CD2-CB 3.83Å; L20-H46 HydrophobicContact CG-CB 3.61Å; L20-L48 HydrophobicContact CD1-CB 4.44Å; L20-L48 HydrophobicContact CD1-CD1 4.06Å; L20-L49 HydrophobicContact CD2-CD1 3.8Å; L20-L49 HydrophobicContact CD2-CG 4.26Å
21Q86Confident84.9Confident130 Ų13076 Ų7661%0.60739%0.389SS*.  trans-87.2153175-60.4-63.2-22.200111.6C16 C19C16-Q21 PolarHBondContact N-O 2.97Å; C19-Q21 HydrophobicContact CB-CG 4.4Å; C19-Q21 PolarHBondContact O-N 3Å; C19-Q21 VanDerWaalsContact SG-CB 3.59Å; C19-Q21 PolarHBondContact SG-N 3.05Å
22K83.3Confident83.4Confident76 Ų7675.8 Ų75.833%0.3339%0.391SS..SBendtrans-86.4145174.9-67177.1161.5168.30109.1Q13 V15 R761 R762Q13-K22 WeakPolarHBondContact O-CE 3.28Å; V15-K22 HydrophobicContact CG1-CD 4.18Å; V15-K22 HydrophobicContact CG1-CG 3.37Å; K22-R761 PolarHBondContact NZ-O 3.2Å; K22-R762 HydrophobicContact CD-CG 3.67Å; K22-R762 VanDerWaalsContact NZ-CG 3.3Å
23G83.7Confident82.2Confident70 Ų7079.7 Ų79.772%0.72241%0.414SS*.SBendtrans126.5-16.3169.900000115.9
24H86.3Confident80.9Confident65 Ų6578.5 Ų78.530%0.30142%0.415SS..SBendtrans-147.2161.1178.256.9-89.1000111.3C16 C19 C29C16-H24 WeakPolarHBondContact CB-NE2 3.49Å; C16-H24 WeakPolarHBondContact CB-O 3.27Å; C16-H24 VanDerWaalsContact SG-CD2 3.59Å; C16-H24 PolarHBondContact SG-NE2 2.95Å; C16-H24 VanDerWaalsContact SG-NE2 3.42Å; C19-H24 PolarHBondContact SG-CE1 2.82Å; C19-H24 PolarHBondContact SG-NE2 2.68Å; H24-C29 VanDerWaalsContact CD2-CA 3.49Å; H24-C29 WeakPolarHBondContact CD2-CA 3.32Å; H24-C29 PolarHBondContact NE2-SG 3.19Å
25S85Confident80.2Confident61 Ų6177 Ų7743%0.42741%0.409SS..  trans-86162.5171.769.10000110.7A27 R28 C29S25-A27 PolarHBondContact O-N 3.4Å; S25-A27 VanDerWaalsContact O-N 3.11Å; S25-R28 CarbonylContact O-C 3.52Å; S25-R28 PolarHBondContact O-N 3.34Å; S25-C29 PolarHBondContact O-N 3.02Å; S25-C29 VanDerWaalsContact O-N 3.16Å
26S80.4Confident79.7Confident25 Ų2576.6 Ų76.618%0.17541%0.407CS..G310 helixtrans-55.7-29.1175.1-50.60000112.9F17 I18F17-S26 WeakPolarHBondContact CB-OG 3.48Å; F17-S26 PolarHBondContact N-OG 3.33Å; F17-S26 VanDerWaalsContact N-OG 3.1Å; I18-S26 WeakPolarHBondContact CD1-O 3.38Å
27A78.6Confident79.3Confident74 Ų7481.4 Ų81.461%0.61244%0.437SS*.G310 helixtrans-70.7-31.1177.200000113.4S25 Q32S25-A27 PolarHBondContact O-N 3.4Å; S25-A27 VanDerWaalsContact O-N 3.11Å; A27-Q32 PolarHBondContact O-NE2 2.76Å
28R81.5Confident78.7Confident203 Ų20380.3 Ų80.377%0.76643%0.434SS*.G310 helixtrans-103.116.3179-59.4-173-171.1175.81.6112.7S25 E30S25-R28 CarbonylContact O-C 3.52Å; S25-R28 PolarHBondContact O-N 3.34Å; R28-E30 PolarHBondContact O-N 3.3Å
29C83.2Confident78.1Confident2 Ų286.9 Ų86.91%0.01447%0.474CS..  trans-75.8115.3-179.3-1680000109.1I18 H24 S25 A31 Q32I18-C29 HydrophobicContact CB-CB 4.48Å; I18-C29 HydrophobicContact CD1-CB 4Å; H24-C29 VanDerWaalsContact CD2-CA 3.49Å; H24-C29 WeakPolarHBondContact CD2-CA 3.32Å; H24-C29 PolarHBondContact NE2-SG 3.19Å; S25-C29 PolarHBondContact O-N 3.02Å; S25-C29 VanDerWaalsContact O-N 3.16Å; C29-A31 PolarHBondContact O-N 3.18Å; C29-Q32 WeakPolarHBondContact O-CA 3.45Å; C29-Q32 WeakPolarHBondContact O-CB 3.45Å; C29-Q32 VanDerWaalsContact O-CG 3.25Å; C29-Q32 WeakPolarHBondContact O-CG 3.45Å; C29-Q32 PolarHBondContact O-N 3.42Å
30E78.9Confident77.6Confident197 Ų19788.9 Ų88.992%0.92150%0.501SS*.SBendtrans-62.6-20.9175.9-66.2-179.9173.500112.4R28 Q32R28-E30 PolarHBondContact O-N 3.3Å; E30-Q32 PolarHBondContact O-N 2.86Å
31A72.6Confident77.2Confident53 Ų5387.8 Ų87.844%0.43850%0.496SS..  trans-75.137.8165.300000111.8I18 C29 N33 G34I18-A31 HydrophobicContact CG2-CB 4.48Å; C29-A31 PolarHBondContact O-N 3.18Å; A31-N33 PolarHBondContact O-N 2.99Å; A31-G34 WeakPolarHBondContact O-CA 3.43Å; A31-G34 PolarHBondContact O-N 3.46Å
32Q55.1Low76.9Confident128 Ų12890.5 Ų90.560%0.59851%0.506SS*.THydrogen-bonded Turntrans-58.1-19.6-171-120.1172.223.400113A27 C29 E30 G34A27-Q32 PolarHBondContact O-NE2 2.76Å; C29-Q32 WeakPolarHBondContact O-CA 3.45Å; C29-Q32 WeakPolarHBondContact O-CB 3.45Å; C29-Q32 VanDerWaalsContact O-CG 3.25Å; C29-Q32 WeakPolarHBondContact O-CG 3.45Å; C29-Q32 PolarHBondContact O-N 3.42Å; E30-Q32 PolarHBondContact O-N 2.86Å; Q32-G34 PolarHBondContact O-N 2.99Å
33N59.9Low76.8Confident168 Ų16893 Ų9390%0.89852%0.519SS*.THydrogen-bonded Turntrans-72.9-4.3170.9-65.2-10.3000113.9A31 R35A31-N33 PolarHBondContact O-N 2.99Å; N33-R35 PolarHBondContact O-N 3.36Å
34G58.6Low76.8Confident24 Ų2493.9 Ų93.925%0.24751%0.507CS..  trans-77.652.5-175.600000114.4I18 A31 Q32I18-G34 WeakPolarHBondContact CG2-O 3.31Å; A31-G34 WeakPolarHBondContact O-CA 3.43Å; A31-G34 PolarHBondContact O-N 3.46Å; Q32-G34 PolarHBondContact O-N 2.99Å
35R70.5Confident76.9Confident174 Ų17491.4 Ų91.466%0.65750%0.495SS*.  trans-58.1151.1159.7-66.4179.1-177.6172.31.5108.6N33 T37 L44N33-R35 PolarHBondContact O-N 3.36Å; R35-T37 PolarHBondContact O-N 2.66Å; R35-T37 VanDerWaalsContact O-N 3.1Å; R35-L44 HydrophobicContact CG-CD2 4.06Å
36C80.9Confident77.1Confident8 Ų891 Ų915%0.05449%0.487CS..  trans-52.7121.6175.6-177.50000110.2I38 C41 Q43 H45 H50C36-I38 PolarHBondContact O-N 3Å; C36-C41 HydrophobicContact CB-CB 3.77Å; C36-C41 VanDerWaalsContact CB-SG 3.58Å; C36-Q43 PolarHBondContact N-O 2.93Å; C36-Q43 VanDerWaalsContact N-O 3.14Å; C36-H45 WeakPolarHBondContact CA-O 3.47Å; C36-H45 VanDerWaalsContact CB-CD2 3.46Å; C36-H45 WeakPolarHBondContact CB-CD2 3.29Å; C36-H45 WeakPolarHBondContact CB-NE2 3.21Å; C36-H45 PolarHBondContact N-O 2.77Å; C36-H45 VanDerWaalsContact SG-CD2 3.53Å; C36-H45 PolarHBondContact SG-NE2 3.41Å; C36-H50 PolarHBondContact SG-ND1 2.75Å; C36-H50 VanDerWaalsContact SG-ND1 3.35Å
37T79.5Confident77.3Confident103 Ų10392.5 Ų92.563%0.63249%0.491SS*.SBendtrans-684.4-17749.70000114.4R35 Q47R35-T37 PolarHBondContact O-N 2.66Å; R35-T37 VanDerWaalsContact O-N 3.1Å; T37-Q47 WeakPolarHBondContact OG1-CB 3.42Å; T37-Q47 PolarHBondContact OG1-OE1 3.01Å
38I79.3Confident77.8Confident38 Ų3892.3 Ų92.320%0.19548%0.479CS..SBendtrans-91.7122179-61.5-166.2000108.6C36 G40 C41 Q47 H50 V54C36-I38 PolarHBondContact O-N 3Å; I38-G40 PolarHBondContact O-N 2.8Å; I38-C41 VanDerWaalsContact O-CB 3.24Å; I38-C41 WeakPolarHBondContact O-CB 3.46Å; I38-C41 PolarHBondContact O-N 3.09Å; I38-Q47 HydrophobicContact CG1-CB 4.49Å; I38-H50 HydrophobicContact CD1-CB 3.78Å; I38-V54 HydrophobicContact CD1-CB 4.09Å; I38-V54 HydrophobicContact CD1-CG1 3.91Å; I38-V54 HydrophobicContact CD1-CG2 3.59Å
39T78Confident78.2Confident147 Ų14782.7 Ų82.790%0.90244%0.443SS*.THydrogen-bonded Turntrans-48.9127.8-177.6-39.50000111.5
40G78.8Confident78.5Confident76 Ų7684 Ų8478%0.78445%0.449SS*.THydrogen-bonded Turntrans89.5-13.6-177.500000115.4I38 K42I38-G40 PolarHBondContact O-N 2.8Å; G40-K42 PolarHBondContact O-N 2.99Å
41C81.7Confident78.8Confident21 Ų2181.6 Ų81.614%0.14243%0.432CS..  trans-85.7107.1177.7-1640000112.1C36 I38 Q43 H50C36-C41 HydrophobicContact CB-CB 3.77Å; C36-C41 VanDerWaalsContact CB-SG 3.58Å; I38-C41 VanDerWaalsContact O-CB 3.24Å; I38-C41 WeakPolarHBondContact O-CB 3.46Å; I38-C41 PolarHBondContact O-N 3.09Å; C41-Q43 VanDerWaalsContact C-N 3.31Å; C41-Q43 PolarHBondContact O-N 3.06Å; C41-H50 VanDerWaalsContact CB-CE1 3.41Å; C41-H50 WeakPolarHBondContact CB-CE1 3.13Å; C41-H50 WeakPolarHBondContact CB-ND1 3.11Å; C41-H50 PolarHBondContact SG-CE1 3.26Å; C41-H50 PolarHBondContact SG-ND1 3.06Å
42K78.5Confident78.6Confident187 Ų18781 Ų8181%0.81343%0.432SS*.  trans-88.38.6176.7-60.1-174.6-178.2-179.70114.2G40G40-K42 PolarHBondContact O-N 2.99Å
43Q80.9Confident78.2Confident130 Ų13085.2 Ų85.261%0.60745%0.448SS*.SBendtrans-87.9149.7-175.3-63.5-66.7-27.800112.4C36 C41 H45C36-Q43 PolarHBondContact N-O 2.93Å; C36-Q43 VanDerWaalsContact N-O 3.14Å; C41-Q43 VanDerWaalsContact C-N 3.31Å; C41-Q43 PolarHBondContact O-N 3.06Å; Q43-H45 PolarHBondContact O-N 2.85Å
44L84.3Confident77.4Confident87 Ų8779.7 Ų79.746%0.45542%0.42SS..SBendtrans-88.877.6-179.6-67.4174.3000111.5I18 R35I18-L44 HydrophobicContact CD1-CB 4.23Å; I18-L44 HydrophobicContact CD1-CD2 4.29Å; I18-L44 HydrophobicContact CG1-CB 4.22Å; R35-L44 HydrophobicContact CG-CD2 4.06Å
45H88.3Confident76.3Confident14 Ų1485.6 Ų85.67%0.06545%0.446CS..SBendtrans-147163173.261.7-133000112.3W7 F17 C36 Q43 L49 H50W7-H45 HydrophobicContact CH2-CB 4.04Å; W7-H45 HydrophobicContact CZ2-CB 4.01Å; W7-H45 AromaticContact CZ2-ND1 3.51Å; F17-H45 HydrophobicContact CB-CB 4.42Å; F17-H45 CarbonylContact O-C 3.36Å; F17-H45 VanDerWaalsContact O-CA 3.27Å; F17-H45 WeakPolarHBondContact O-CA 3.41Å; C36-H45 WeakPolarHBondContact CA-O 3.47Å; C36-H45 VanDerWaalsContact CB-CD2 3.46Å; C36-H45 WeakPolarHBondContact CB-CD2 3.29Å; C36-H45 WeakPolarHBondContact CB-NE2 3.21Å; C36-H45 PolarHBondContact N-O 2.77Å; C36-H45 VanDerWaalsContact SG-CD2 3.53Å; C36-H45 PolarHBondContact SG-NE2 3.41Å; Q43-H45 PolarHBondContact O-N 2.85Å; H45-L49 HydrophobicContact CB-CB 4.16Å; H45-L49 HydrophobicContact CB-CD1 4.3Å; H45-H50 AromaticContact NE2-ND1 3.62Å
46H89.5Confident74.6Confident53 Ų5385.5 Ų85.525%0.24545%0.45CS..  trans-68.9144.3172-167.3-92.7000110F17 I18 L20 L48 L49F17-H46 WeakPolarHBondContact O-CB 3.49Å; F17-H46 PolarHBondContact O-N 3.12Å; I18-H46 WeakPolarHBondContact O-CB 3.2Å; I18-H46 PolarHBondContact O-CD2 2.9Å; L20-H46 HydrophobicContact CD1-CB 3.87Å; L20-H46 WeakPolarHBondContact CD1-ND1 3.36Å; L20-H46 HydrophobicContact CD2-CB 3.83Å; L20-H46 HydrophobicContact CG-CB 3.61Å; H46-L48 WeakPolarHBondContact ND1-CG 3.41Å; H46-L48 PolarHBondContact ND1-N 2.81Å; H46-L48 PolarHBondContact O-N 3.17Å; H46-L49 WeakPolarHBondContact O-CB 3.31Å; H46-L49 PolarHBondContact O-N 3.13Å
47Q85Confident72.1Confident56 Ų5696.9 Ų96.926%0.26249%0.492SS..G310 helixtrans-52.8-29.6-17960.4-177.7-0.100114.6T37 I38 L49 H50T37-Q47 WeakPolarHBondContact OG1-CB 3.42Å; T37-Q47 PolarHBondContact OG1-OE1 3.01Å; I38-Q47 HydrophobicContact CG1-CB 4.49Å; Q47-L49 PolarHBondContact O-N 2.92Å; Q47-H50 WeakPolarHBondContact O-CB 3.41Å; Q47-H50 PolarHBondContact O-N 2.92Å; Q47-H50 VanDerWaalsContact O-N 3.16Å
48L87.8Confident69.7Low70 Ų7095.3 Ų95.337%0.36649%0.486SS..G310 helixtrans-66.2-17.7176.3-67.5175.8000114.1R6 L20 H46R6-L48 WeakPolarHBondContact CD-O 3.17Å; R6-L48 PolarHBondContact NH1-O 3.38Å; L20-L48 HydrophobicContact CD1-CB 4.44Å; L20-L48 HydrophobicContact CD1-CD1 4.06Å; H46-L48 WeakPolarHBondContact ND1-CG 3.41Å; H46-L48 PolarHBondContact ND1-N 2.81Å; H46-L48 PolarHBondContact O-N 3.17Å
49L90.4Very high67Low1 Ų1103.1 Ų103.11%0.00551%0.514CS..G310 helixtrans-98-3.5177.1-64.5178.9000112.9V3 R6 W7 V10 F17 L20 H45 H46 Q47 Y51V3-L49 VanDerWaalsContact CG1-O 3.31Å; V3-L49 WeakPolarHBondContact CG1-O 3.23Å; R6-L49 HydrophobicContact CB-CD2 3.72Å; W7-L49 HydrophobicContact CD2-CB 4.45Å; W7-L49 HydrophobicContact CD2-CD2 4.29Å; W7-L49 HydrophobicContact CE3-CD1 4.47Å; W7-L49 HydrophobicContact CG-CD2 4.21Å; W7-L49 HydrophobicContact CH2-CD1 4.4Å; W7-L49 HydrophobicContact CZ2-CB 3.98Å; W7-L49 HydrophobicContact CZ2-CD1 4.42Å; W7-L49 HydrophobicContact CZ3-CD1 4.42Å; W7-L49 PolarHBondContact NE1-O 3.19Å; V10-L49 HydrophobicContact CB-CD1 4.25Å; V10-L49 HydrophobicContact CB-CD2 4.24Å; V10-L49 HydrophobicContact CG1-CD1 3.83Å; V10-L49 HydrophobicContact CG2-CD1 4.18Å; V10-L49 HydrophobicContact CG2-CD2 3.87Å; V10-L49 HydrophobicContact CG2-CG 4.48Å; F17-L49 HydrophobicContact CB-CD1 4.4Å; L20-L49 HydrophobicContact CD2-CD1 3.8Å; L20-L49 HydrophobicContact CD2-CG 4.26Å; H45-L49 HydrophobicContact CB-CB 4.16Å; H45-L49 HydrophobicContact CB-CD1 4.3Å; H46-L49 WeakPolarHBondContact O-CB 3.31Å; H46-L49 PolarHBondContact O-N 3.13Å; Q47-L49 PolarHBondContact O-N 2.92Å; L49-Y51 PolarHBondContact O-N 2.8Å
50H89.6Confident64.6Low30 Ų30103.4 Ų103.414%0.13951%0.51CS..  trans-65.8129.6-179-174.189000111.9V3 C36 I38 C41 H45 Q47 G52V3-H50 WeakPolarHBondContact CG2-O 3.5Å; C36-H50 PolarHBondContact SG-ND1 2.75Å; C36-H50 VanDerWaalsContact SG-ND1 3.35Å; I38-H50 HydrophobicContact CD1-CB 3.78Å; C41-H50 VanDerWaalsContact CB-CE1 3.41Å; C41-H50 WeakPolarHBondContact CB-CE1 3.13Å; C41-H50 WeakPolarHBondContact CB-ND1 3.11Å; C41-H50 PolarHBondContact SG-CE1 3.26Å; C41-H50 PolarHBondContact SG-ND1 3.06Å; H45-H50 AromaticContact NE2-ND1 3.62Å; Q47-H50 WeakPolarHBondContact O-CB 3.41Å; Q47-H50 PolarHBondContact O-N 2.92Å; Q47-H50 VanDerWaalsContact O-N 3.16Å; H50-G52 PolarHBondContact O-N 3.34Å; H50-G52 VanDerWaalsContact O-N 3.13Å
51Y84.8Confident62.1Low145 Ų145102.2 Ų102.257%0.56950%0.498SS*.SBendtrans-78.491.4172.4-81.7-78.9000109.6V3 W7 L49V3-Y51 HydrophobicContact CB-CD1 4.32Å; V3-Y51 HydrophobicContact CB-CE1 4.34Å; V3-Y51 HydrophobicContact CG1-CD1 3.8Å; V3-Y51 HydrophobicContact CG1-CD2 4.17Å; V3-Y51 HydrophobicContact CG1-CE1 3.87Å; V3-Y51 HydrophobicContact CG1-CE2 4.25Å; V3-Y51 HydrophobicContact CG1-CG 3.95Å; W7-Y51 AromaticContact CD1-CE2 3.35Å; W7-Y51 AromaticContact CD1-CZ 3.68Å; W7-Y51 HydrophobicContact CG-CE2 4.24Å; W7-Y51 AromaticContact NE1-CD2 3.73Å; W7-Y51 AromaticContact NE1-CE2 3.32Å; W7-Y51 VanDerWaalsContact NE1-CE2 3.32Å; L49-Y51 PolarHBondContact O-N 2.8Å
52G68.9Low59.5Low42 Ų42107.1 Ų107.143%0.43353%0.527SS..SBendtrans166.9160.4-179.800000111H50 V54H50-G52 PolarHBondContact O-N 3.34Å; H50-G52 VanDerWaalsContact O-N 3.13Å; G52-V54 PolarHBondContact O-N 2.82Å
53K48Very low56.9Low215 Ų215101 Ų10194%0.93551%0.507SS*.  trans-67.1105.3174.2-81.3-179.6178.11750108.4D55K53-D55 PolarHBondContact O-N 3.05Å
54V41.9Very low54.3Low53 Ų53100.6 Ų100.632%0.32152%0.516SS..  trans-69.4112.2170.4-172.70000107.7I38 G52 K56I38-V54 HydrophobicContact CD1-CB 4.09Å; I38-V54 HydrophobicContact CD1-CG1 3.91Å; I38-V54 HydrophobicContact CD1-CG2 3.59Å; G52-V54 PolarHBondContact O-N 2.82Å; V54-K56 PolarHBondContact O-N 3.42Å
55D35.3Very low51.5Low148 Ų148106.2 Ų106.279%0.79154%0.537SS*.  trans-62.7120.5173.5-103.8-29.6000109.5K53 R57K53-D55 PolarHBondContact O-N 3.05Å; D55-R57 PolarHBondContact O-N 3.04Å
56K34.3Very low48.6Very low171 Ų171112.5 Ų112.574%0.74356%0.564SS**SBendtrans-75.337.5-163.6-69.5-178174.1177.90114.7V54V54-K56 PolarHBondContact O-N 3.42Å
57R29.4Very low45.6Very low248 Ų248116.6 Ų116.694%0.93658%0.583SS**  trans-89.83.9178.3-76.9-172.1176.6-179.4-0.1115.1D55D55-R57 PolarHBondContact O-N 3.04Å
58S28.1Very low42.7Very low70 Ų70119.7 Ų119.749%0.4961%0.611SS.*SBendtrans-127.858.5179.353.30000113.4
59Y23.3Very low39.8Very low202 Ų202122.5 Ų122.579%0.79263%0.631SS**  trans-156.988.1162.6-137.9-93.5000110.9
60N27.8Very low36.7Very low153 Ų153127.6 Ų127.682%0.81867%0.667SS**  trans-106.279.9169.8-80.1-10.6000109
61G26.3Very low33.7Very low51 Ų51133 Ų13353%0.52670%0.696SS.*  trans-77.8119.3159.700000108.7S63G61-S63 PolarHBondContact O-N 3.39Å; G61-S63 VanDerWaalsContact O-N 3.16Å
62V26.3Very low30.8Very low124 Ų124133.7 Ų133.775%0.75271%0.71SS**  trans-57.2110.2-178.5179.10000110.1
63S25Very low28.8Very low57 Ų57140 Ų14040%0.39973%0.728SS.*  trans-99.3132.8161.3-61.50000107.6G61 K65G61-S63 PolarHBondContact O-N 3.39Å; G61-S63 VanDerWaalsContact O-N 3.16Å; S63-K65 PolarHBondContact O-N 2.92Å; S63-K65 VanDerWaalsContact O-N 3.16Å
64P27Very low27.7Very low123 Ų123137.8 Ų137.880%0.79972%0.721SS**  trans-69.4115.1-177.611.6-4.1000109.3
65K25.1Very low26.9Very low205 Ų205147.4 Ų147.489%0.89175%0.751SS**  trans-92.7123.3173-90.1-174.2175.3-177.20110.4S63S63-K65 PolarHBondContact O-N 2.92Å; S63-K65 VanDerWaalsContact O-N 3.16Å
66K26.3Very low26.5Very low145 Ų145146.3 Ų146.363%0.6375%0.751SS**  trans-40.2130.6170.3-65.6168176.3177.90113
67E27.8Very low26.1Very low139 Ų139142.9 Ų142.965%0.6575%0.754SS**  trans-68.1126.5165.6-71.7175161.200109.5V69E67-V69 PolarHBondContact O-N 2.69Å
68S22.5Very low26.1Very low122 Ų122137.9 Ų137.985%0.85375%0.746SS**  trans-72.2108.5164.7490000108.4
69V27.7Very low26.2Very low128 Ų128145 Ų14578%0.77676%0.762SS**  trans-105.1116.7167.3-179.70000107.5E67E67-V69 PolarHBondContact O-N 2.69Å
70S24.9Very low26.7Very low108 Ų108140.7 Ų140.776%0.75575%0.749SS**  trans-52.6145.2171.946.50000112.1N72S70-N72 PolarHBondContact O-N 3.06Å
71D26.2Very low27.3Very low143 Ų143134 Ų13477%0.76571%0.713SS**SBendtrans-34110.9-179.4-74.6-52000114.6
72N24.7Very low27.9Very low161 Ų161136.6 Ų136.686%0.86171%0.712SS**  trans-154.8111.5136.8-98.2-30.3000109.1S70 H74S70-N72 PolarHBondContact O-N 3.06Å; N72-H74 PolarHBondContact O-N 3.36Å
73Q26.8Very low28.9Very low174 Ų174130.9 Ų130.981%0.81368%0.676SS**  trans-71.992.3-169.6-65.1176-1.700111.7
74H24.6Very low29.7Very low168 Ų168129.1 Ų129.178%0.77867%0.668SS**  trans-135.999.6157-82.9-58.6000110.7N72 T76N72-H74 PolarHBondContact O-N 3.36Å; H74-T76 PolarHBondContact O-N 2.99Å
75R26Very low30.4Very low255 Ų255126.4 Ų126.496%0.96265%0.649SS**  trans-61.494.9174.5-71.1176.2170.7178.7-3.8110.7
76T25.6Very low31.1Very low126 Ų126118.9 Ų118.977%0.77362%0.624SS**  trans-77.7119.2155.539.40000108.2H74 D78H74-T76 PolarHBondContact O-N 2.99Å; T76-D78 PolarHBondContact O-N 2.92Å
77A27Very low31.7Very low99 Ų99119.5 Ų119.582%0.81863%0.627SS**  trans-60.8101.9-176.900000111.2
78D29Very low32.3Very low143 Ų143116 Ų11677%0.76562%0.615SS**  trans-61.7143.4166.5-93.5-29.8000109.6T76 E80T76-D78 PolarHBondContact O-N 2.92Å; D78-E80 VanDerWaalsContact C-N 3.3Å; D78-E80 PolarHBondContact O-N 2.96Å
79R30.3Very low33.3Very low220 Ų220117.3 Ų117.383%0.8361%0.613SS**  trans-70.679.8-171.9-67.2173.6170.3175.3-2.6111.5
80E34.2Very low34.1Very low110 Ų110117.2 Ų117.251%0.51461%0.608SS.*  trans-61.3137.1-177.8-77.3173.2-17000113.4D78 H82 Q183D78-E80 VanDerWaalsContact C-N 3.3Å; D78-E80 PolarHBondContact O-N 2.96Å; E80-H82 IonicContact OE2-CE1 2.75Å; E80-H82 PolarHBondContact OE2-CE1 3.3Å; E80-H82 VanDerWaalsContact OE2-CE1 3.28Å; E80-H82 IonicContact OE2-NE2 3.97Å; E80-Q183 VanDerWaalsContact CB-OE1 3.28Å; E80-Q183 VanDerWaalsContact CD-OE1 3.29Å; E80-Q183 VanDerWaalsContact CG-OE1 3.24Å; E80-Q183 PolarHBondContact OE2-OE1 3.39Å
81L39.5Very low35.5Very low13 Ų13112.7 Ų112.77%0.06858%0.579CS.*  trans-84.3109.6172179.675.6000107.7I144 V181L81-I144 HydrophobicContact CD1-CD1 4.13Å; L81-I144 HydrophobicContact CD1-CG2 4.49Å; L81-I144 HydrophobicContact CD2-CD1 3.91Å; L81-V181 HydrophobicContact CD2-CB 3.7Å; L81-V181 HydrophobicContact CD2-CG1 3.67Å; L81-V181 HydrophobicContact CD2-CG2 4.28Å
82H40.2Very low37.4Very low106 Ų106108 Ų10849%0.49155%0.551SS.*  trans-103.4110.1173.8-62.7-47000110E80 G84E80-H82 IonicContact OE2-CE1 2.75Å; E80-H82 PolarHBondContact OE2-CE1 3.3Å; E80-H82 VanDerWaalsContact OE2-CE1 3.28Å; E80-H82 IonicContact OE2-NE2 3.97Å; H82-G84 PolarHBondContact O-N 3.21Å
83I47.2Very low39.8Very low3 Ų3102.7 Ų102.72%0.01553%0.525CS..  trans-62.6130.2162.5-63.9170.3000107.3V85 I184 L220 L268 C270I83-V85 PolarHBondContact O-N 3.37Å; I83-I184 WeakPolarHBondContact CB-O 3.15Å; I83-I184 HydrophobicContact CD1-CG2 3.8Å; I83-I184 WeakPolarHBondContact CD1-O 3.39Å; I83-I184 WeakPolarHBondContact CG1-O 3.38Å; I83-I184 PolarHBondContact N-O 2.76Å; I83-L220 HydrophobicContact CD1-CD1 3.77Å; I83-L268 HydrophobicContact CB-CD2 4.26Å; I83-L268 HydrophobicContact CG2-CD2 3.8Å; I83-C270 HydrophobicContact CG2-CB 4.01Å
84G40.8Very low42.4Very low21 Ų2195 Ų9522%0.21649%0.489CS..  trans-59.1121.4-166.300000112.8H82H82-G84 PolarHBondContact O-N 3.21Å
85V42.9Very low45.5Very low66 Ų6688.8 Ų88.840%0.446%0.461SS..EExtended strand (participates in β ladder)trans-108.6122.7177.51660000109.1I83 T266 T267 L268I83-V85 PolarHBondContact O-N 3.37Å; V85-T266 HydrophobicContact CB-CG2 4.25Å; V85-T266 HydrophobicContact CG1-CG2 3.38Å; V85-T266 HydrophobicContact CG2-CG2 3.99Å; V85-T267 WeakPolarHBondContact CA-O 3.32Å; V85-L268 HydrophobicContact CG2-CD2 3.53Å; V85-L268 HydrophobicContact CG2-CG 4.3Å
86A38.5Very low48.6Very low46 Ų4678.4 Ų78.438%0.3842%0.423SS..EExtended strand (participates in β ladder)trans-102.1135.2171.500000111.3T266 T267A86-T266 WeakPolarHBondContact O-CA 3.37Å; A86-T267 PolarHBondContact N-O 3.37Å; A86-T267 VanDerWaalsContact N-O 3.08Å; A86-T267 PolarHBondContact O-N 3.13Å; A86-T267 VanDerWaalsContact O-N 3.16Å
87K40Very low51.9Low159 Ų15972.6 Ų72.669%0.69139%0.388SS*.EExtended strand (participates in β ladder)trans-104.8127.3-179.1-79.2-175.4168.3-169.50111.2V264 S265K87-V264 HydrophobicContact CB-CG1 3.41Å; K87-V264 VanDerWaalsContact CB-CG1 3.41Å; K87-V264 HydrophobicContact CD-CG1 3.74Å; K87-V264 HydrophobicContact CG-CG1 3.47Å; K87-V264 VanDerWaalsContact CG-CG1 3.47Å; K87-S265 WeakPolarHBondContact CA-O 3.27Å
88T40.7Very low55.1Low65 Ų6567.9 Ų67.940%0.39935%0.349SS..EExtended strand (participates in β ladder)trans-133.5159.1176.163.70000112.5S265T88-S265 PolarHBondContact N-O 3.26Å; T88-S265 PolarHBondContact O-N 2.85Å; T88-S265 VanDerWaalsContact O-N 3.08Å
89N41.8Very low58.3Low149 Ų14961.9 Ų61.980%0.79732%0.316SS*.SBendtrans-89.42.8-174.4-73.4-5.7000114.8G91N89-G91 PolarHBondContact O-N 3.04Å
90D45.7Very low61.4Low127 Ų12751.4 Ų51.468%0.67928%0.277SS*.SBendtrans-9462.5-171.6-70.8-26.8000112.9
91G53.9Low64.2Low13 Ų1349.6 Ų49.613%0.13427%0.267CS..  trans64.1166175.300000114.8N89 V93 S265N89-G91 PolarHBondContact O-N 3.04Å; G91-V93 PolarHBondContact O-N 2.95Å; G91-S265 WeakPolarHBondContact O-CB 3.37Å
92K65.4Low66.9Low45 Ų4549 Ų4920%0.19626%0.264CS..PPolyproline II helixtrans-77.8120.2-172.3-164.7168.2-170.7160.40111.3A190 T257K92-A190 WeakPolarHBondContact CE-O 3.17Å; K92-A190 PolarHBondContact NZ-O 2.86Å; K92-T257 PolarHBondContact O-N 2.97Å; K92-T257 VanDerWaalsContact O-N 3.1Å; K92-T257 PolarHBondContact O-OG1 2.85Å
93V75.2Confident69.1Low49 Ų4944.5 Ų44.530%0.29724%0.243SC..EExtended strand (participates in β ladder)trans-99.2124.9171.8-178.90000109G91 G255 K256 S265G91-V93 PolarHBondContact O-N 2.95Å; V93-G255 CarbonylContact C-O 3.58Å; V93-G255 WeakPolarHBondContact CA-O 3.4Å; V93-K256 HydrophobicContact CG2-CG 4.07Å; V93-S265 WeakPolarHBondContact CB-OG 3.48Å; V93-S265 WeakPolarHBondContact CG2-OG 3.47Å; V93-S265 PolarHBondContact N-OG 3.43Å
94I82.5Confident70.8Confident13 Ų1347.3 Ų47.37%0.06725%0.254CS..EExtended strand (participates in β ladder)trans-84129.5173.8-58.7164.7000108.7P192 F210 L253 C254 G255 T257I94-P192 HydrophobicContact CD1-CG 4.46Å; I94-F210 HydrophobicContact CD1-CE1 3.85Å; I94-F210 HydrophobicContact CD1-CZ 4.47Å; I94-F210 HydrophobicContact CG2-CE1 4.45Å; I94-F210 HydrophobicContact CG2-CZ 4.24Å; I94-L253 VanDerWaalsContact CG2-O 3.25Å; I94-L253 WeakPolarHBondContact CG2-O 2.96Å; I94-C254 CarbonylContact O-C 3.51Å; I94-C254 WeakPolarHBondContact O-CA 3.16Å; I94-C254 WeakPolarHBondContact O-CB 3.43Å; I94-G255 PolarHBondContact N-O 3.4Å; I94-G255 PolarHBondContact O-N 3Å; I94-T257 HydrophobicContact CD1-CG2 3.14Å; I94-T257 HydrophobicContact CG1-CG2 3.52Å
95L88.3Confident72.1Confident36 Ų3650.9 Ų50.919%0.18827%0.273CS..PPolyproline II helixtrans-80.6159.3172-65.9174.8000111.3T97 L115 L188 T266 L268L95-T97 PolarHBondContact O-N 2.93Å; L95-L115 HydrophobicContact CB-CD1 3.87Å; L95-L115 HydrophobicContact CD1-CD1 4.2Å; L95-L188 HydrophobicContact CD1-CD2 4.05Å; L95-T266 HydrophobicContact CD1-CG2 4.26Å; L95-T266 WeakPolarHBondContact CD2-O 3.49Å; L95-L268 HydrophobicContact CD1-CD1 3.71Å
96Q92.7Very high73.4Confident37 Ų3751.7 Ų51.717%0.17328%0.275CS..  trans-73.197177.9-69.7-169.74.500111.5L116 Y226 I252 C254Q96-L116 HydrophobicContact CB-CB 4.06Å; Q96-L116 PolarHBondContact O-N 3.04Å; Q96-Y226 VanDerWaalsContact CD-OH 3.29Å; Q96-Y226 PolarHBondContact NE2-OH 3.09Å; Q96-Y226 VanDerWaalsContact OE1-CZ 3.3Å; Q96-Y226 PolarHBondContact OE1-OH 2.7Å; Q96-I252 HydrophobicContact CB-CG2 3.68Å; Q96-I252 HydrophobicContact CG-CG2 3.75Å; Q96-C254 HydrophobicContact CG-CB 3.53Å
97T94Very high75.1Confident4 Ų451.4 Ų51.43%0.02528%0.277CS..EExtended strand (participates in β ladder)trans-114149.9-179.158.60000112.1L95 C114 L115 L188 S207 D208L95-T97 PolarHBondContact O-N 2.93Å; T97-C114 WeakPolarHBondContact CA-O 3.3Å; T97-L115 HydrophobicContact CG2-CD1 4.08Å; T97-L188 HydrophobicContact CG2-CD1 3.57Å; T97-S207 PolarHBondContact O-OG 3.35Å; T97-D208 PolarHBondContact OG1-OD2 3.36Å
98A94.6Very high76.9Confident0 Ų046 Ų460%026%0.259CS..EExtended strand (participates in β ladder)trans-148.8138.817700000111.7C114 L116 S207 F249A98-C114 PolarHBondContact N-O 3.35Å; A98-C114 WeakPolarHBondContact O-CA 3.4Å; A98-C114 WeakPolarHBondContact O-CB 3.48Å; A98-C114 PolarHBondContact O-N 2.81Å; A98-L116 HydrophobicContact CB-CD1 4.02Å; A98-S207 CarbonylContact C-O 3.59Å; A98-S207 WeakPolarHBondContact CA-O 3.19Å; A98-F249 HydrophobicContact CB-CB 3.98Å; A98-F249 HydrophobicContact CB-CD2 3.62Å; A98-F249 HydrophobicContact CB-CE2 4.36Å; A98-F249 HydrophobicContact CB-CG 4Å
99Q95.1Very high79Confident17 Ų1749.3 Ų49.38%0.07927%0.268CS..EExtended strand (participates in β ladder)trans-83.2129.9164.4-64.3-170.32.800109.3V112 M113 V167 S207Q99-V112 WeakPolarHBondContact CA-O 3.28Å; Q99-M113 HydrophobicContact CG-CE 3.58Å; Q99-M113 HydrophobicContact CG-SD 4.32Å; Q99-V167 HydrophobicContact CB-CG2 4Å; Q99-V167 WeakPolarHBondContact O-CG2 3.43Å; Q99-S207 PolarHBondContact N-O 3.16Å
100A95.3Very high81.3Confident0 Ų043.3 Ų43.30%024%0.239CC..EExtended strand (participates in β ladder)trans-130.9155.9177.100000110.9V112 L164 F249A100-V112 HydrophobicContact CB-CG2 4.06Å; A100-V112 PolarHBondContact N-O 3.08Å; A100-V112 WeakPolarHBondContact O-CG2 3.45Å; A100-V112 PolarHBondContact O-N 3.44Å; A100-L164 HydrophobicContact CB-CD2 4.12Å; A100-F249 HydrophobicContact CB-CD1 3.98Å; A100-F249 HydrophobicContact CB-CE1 3.51Å; A100-F249 HydrophobicContact CB-CZ 3.94Å
101K94.4Very high83.6Confident72 Ų7241.7 Ų41.731%0.31323%0.23SC..EExtended strand (participates in β ladder)trans-91.1115.1163.1-80.6174178.4164.40108.5A110 T165 V167K101-A110 CarbonylContact C-O 3.59Å; K101-A110 WeakPolarHBondContact CA-O 3.32Å; K101-T165 PolarHBondContact N-O 3.43Å; K101-T165 PolarHBondContact O-N 3.28Å; K101-T165 PolarHBondContact O-OG1 2.89Å; K101-V167 WeakPolarHBondContact CE-O 3.32Å; K101-V167 PolarHBondContact NZ-O 3.19Å
102L94.8Very high85.5Confident0 Ų041.1 Ų41.10%022%0.224CC..EExtended strand (participates in β ladder)trans-82.4121.1169.5-170.9163000108.9K109 A110 V112 L129 L133 F162 C163 L164 V219L102-K109 CarbonylContact O-C 3.54Å; L102-K109 WeakPolarHBondContact O-CA 3.47Å; L102-A110 PolarHBondContact N-O 3.4Å; L102-A110 PolarHBondContact O-N 3.42Å; L102-V112 HydrophobicContact CB-CG1 3.77Å; L102-V112 HydrophobicContact CB-CG2 3.96Å; L102-V112 HydrophobicContact CD1-CG1 4.07Å; L102-L129 HydrophobicContact CD1-CD2 4.47Å; L102-L133 HydrophobicContact CD1-CD1 4Å; L102-L133 HydrophobicContact CD2-CD1 3.67Å; L102-L133 HydrophobicContact CG-CD1 4.41Å; L102-F162 HydrophobicContact CD1-CD1 4.44Å; L102-F162 HydrophobicContact CD1-CD2 3.58Å; L102-F162 HydrophobicContact CD1-CE2 3.73Å; L102-F162 HydrophobicContact CD1-CG 3.95Å; L102-F162 HydrophobicContact CD1-CZ 4.22Å; L102-F162 HydrophobicContact CD2-CB 3.89Å; L102-F162 HydrophobicContact CD2-CD2 4.26Å; L102-F162 HydrophobicContact CD2-CG 4.2Å; L102-F162 HydrophobicContact CG-CB 4.17Å; L102-F162 HydrophobicContact CG-CD2 3.57Å; L102-F162 HydrophobicContact CG-CE2 4.15Å; L102-F162 HydrophobicContact CG-CG 4Å; L102-C163 CarbonylContact C-O 3.42Å; L102-C163 WeakPolarHBondContact CA-O 3.36Å; L102-L164 HydrophobicContact CB-CD2 4Å; L102-L164 HydrophobicContact CG-CD2 4.22Å; L102-V219 HydrophobicContact CD1-CG2 4.34Å
103I88.2Confident87Confident12 Ų1239 Ų396%0.06222%0.215CC..EExtended strand (participates in β ladder)trans-113.7126.9-179.2-49.4-174.7000109.5S108 K109 C163 T165I103-S108 WeakPolarHBondContact CA-O 3.14Å; I103-K109 HydrophobicContact CD1-CD 4.49Å; I103-K109 HydrophobicContact CG1-CD 4.48Å; I103-K109 HydrophobicContact CG1-CG 4.13Å; I103-K109 HydrophobicContact CG2-CG 4.47Å; I103-C163 HydrophobicContact CB-CB 4.27Å; I103-C163 PolarHBondContact N-O 2.95Å; I103-C163 PolarHBondContact O-N 3.27Å; I103-T165 HydrophobicContact CD1-CG2 3.49Å; I103-T165 VanDerWaalsContact CD1-CG2 3.49Å; I103-T165 HydrophobicContact CG1-CG2 4.12Å
104R81.2Confident88Confident62 Ų6236.7 Ų36.723%0.23420%0.201CC..  trans-73160.8173.7-71-165.2-121.216711.8112.3N106 G107 S108 L133 L135R104-N106 WeakPolarHBondContact CB-OD1 3.38Å; R104-N106 WeakPolarHBondContact CD-OD1 3.42Å; R104-N106 PolarHBondContact NH1-ND2 3.15Å; R104-N106 PolarHBondContact O-N 2.96Å; R104-N106 VanDerWaalsContact O-N 3.13Å; R104-G107 PolarHBondContact O-N 2.92Å; R104-S108 VanDerWaalsContact CZ-CB 3.42Å; R104-S108 PolarHBondContact N-O 3.16Å; R104-S108 VanDerWaalsContact NE-CB 3.27Å; R104-S108 VanDerWaalsContact NH2-CB 3.29Å; R104-S108 PolarHBondContact NH2-OG 2.73Å; R104-L133 WeakPolarHBondContact CD-O 3.37Å; R104-L133 PolarHBondContact NE-O 3.12Å; R104-L133 PolarHBondContact NH1-O 2.97Å; R104-L135 HydrophobicContact CG-CD2 4.04Å
105P69Low88.6Confident96 Ų9636.2 Ų36.262%0.62320%0.198SC*.THydrogen-bonded Turntrans-56.2-24.6164.9-21.630.1000114.5W175P105-W175 HydrophobicContact CB-CH2 4.12Å; P105-W175 HydrophobicContact CG-CH2 3.81Å; P105-W175 HydrophobicContact CG-CZ3 3.92Å
106N71.3Confident88.9Confident83 Ų8334.9 Ų34.944%0.44419%0.191SC..THydrogen-bonded Turntrans-89.3-3.7176.471.80.9000113.9R104 S108R104-N106 WeakPolarHBondContact CB-OD1 3.38Å; R104-N106 WeakPolarHBondContact CD-OD1 3.42Å; R104-N106 PolarHBondContact NH1-ND2 3.15Å; R104-N106 PolarHBondContact O-N 2.96Å; R104-N106 VanDerWaalsContact O-N 3.13Å; N106-S108 PolarHBondContact OD1-N 2.96Å; N106-S108 PolarHBondContact OD1-OG 3.49Å
107G73.9Confident88.7Confident41 Ų4134 Ų3442%0.42319%0.188SC..SBendtrans97.8-13.1175.400000116.6R104 K109R104-G107 PolarHBondContact O-N 2.92Å; G107-K109 WeakPolarHBondContact O-CG 3.17Å
108S77.2Confident88.3Confident45 Ų4536.9 Ų36.932%0.31521%0.205SC..  trans-62.7144.9175.5-51.20000111.2I103 R104 N106I103-S108 WeakPolarHBondContact CA-O 3.14Å; R104-S108 VanDerWaalsContact CZ-CB 3.42Å; R104-S108 PolarHBondContact N-O 3.16Å; R104-S108 VanDerWaalsContact NE-CB 3.27Å; R104-S108 VanDerWaalsContact NH2-CB 3.29Å; R104-S108 PolarHBondContact NH2-OG 2.73Å; N106-S108 PolarHBondContact OD1-N 2.96Å; N106-S108 PolarHBondContact OD1-OG 3.49Å
109K84.5Confident87.5Confident135 Ų13538.1 Ų38.159%0.58722%0.218SC*.EExtended strand (participates in β ladder)trans-122.4144.1-172.7-51.2-177.5-173.8166.10111.3L102 I103 G107L102-K109 CarbonylContact O-C 3.54Å; L102-K109 WeakPolarHBondContact O-CA 3.47Å; I103-K109 HydrophobicContact CD1-CD 4.49Å; I103-K109 HydrophobicContact CG1-CD 4.48Å; I103-K109 HydrophobicContact CG1-CG 4.13Å; I103-K109 HydrophobicContact CG2-CG 4.47Å; G107-K109 WeakPolarHBondContact O-CG 3.17Å
110A90.6Very high86.8Confident22 Ų2237.3 Ų37.318%0.18221%0.214CC..EExtended strand (participates in β ladder)trans-132.1143.5168.200000110K101 L102 V112 L133K101-A110 CarbonylContact C-O 3.59Å; K101-A110 WeakPolarHBondContact CA-O 3.32Å; L102-A110 PolarHBondContact N-O 3.4Å; L102-A110 PolarHBondContact O-N 3.42Å; A110-V112 HydrophobicContact CB-CG1 4.38Å; A110-L133 HydrophobicContact CB-CD1 4.39Å; A110-L133 HydrophobicContact CB-CD2 3.94Å
111L93.2Very high86Confident94 Ų9441.7 Ų41.749%0.49223%0.234SC..EExtended strand (participates in β ladder)trans-81.9126.2169.2-172.571.8000107.7V167L111-V167 HydrophobicContact CD1-CG1 4.14Å; L111-V167 HydrophobicContact CD1-CG2 3.65Å
112V95.1Very high85.6Confident1 Ų142.6 Ų42.61%0.00624%0.236CC..EExtended strand (participates in β ladder)trans-127.9146.5-175.6-61.80000110.5Q99 A100 L102 A110 L129 L164 D218 V219Q99-V112 WeakPolarHBondContact CA-O 3.28Å; A100-V112 HydrophobicContact CB-CG2 4.06Å; A100-V112 PolarHBondContact N-O 3.08Å; A100-V112 WeakPolarHBondContact O-CG2 3.45Å; A100-V112 PolarHBondContact O-N 3.44Å; L102-V112 HydrophobicContact CB-CG1 3.77Å; L102-V112 HydrophobicContact CB-CG2 3.96Å; L102-V112 HydrophobicContact CD1-CG1 4.07Å; A110-V112 HydrophobicContact CB-CG1 4.38Å; V112-L129 HydrophobicContact CG1-CD1 4.48Å; V112-L129 HydrophobicContact CG1-CD2 3.87Å; V112-L164 HydrophobicContact CG2-CD2 4.01Å; V112-D218 WeakPolarHBondContact CA-OD2 3.28Å; V112-D218 HydrophobicContact CB-CB 3.81Å; V112-D218 HydrophobicContact CG1-CB 4.21Å; V112-V219 HydrophobicContact CB-CG2 4.4Å; V112-V219 HydrophobicContact CG2-CG2 4.26Å
113M95.6Very high85.6Confident0 Ų042.7 Ų42.70%024%0.236CC..EExtended strand (participates in β ladder)trans-90.9115.7168.5-173.754.569.500109.9Q99 L188 D208 K215 E216 D218 V219Q99-M113 HydrophobicContact CG-CE 3.58Å; Q99-M113 HydrophobicContact CG-SD 4.32Å; M113-L188 HydrophobicContact CG-CD1 4.29Å; M113-D208 WeakPolarHBondContact CE-OD1 3.33Å; M113-K215 HydrophobicContact CE-CD 3.72Å; M113-E216 WeakPolarHBondContact CB-O 3.27Å; M113-D218 PolarHBondContact N-OD2 2.99Å; M113-D218 WeakPolarHBondContact O-CB 3.35Å; M113-D218 PolarHBondContact O-N 3.47Å; M113-V219 PolarHBondContact O-N 3.25Å
114C96.2Very high85.9Confident0 Ų042.2 Ų42.20%023%0.234CC..EExtended strand (participates in β ladder)trans-97.9139.7176.8-60.60000110.5T97 A98 V219 I221T97-C114 WeakPolarHBondContact CA-O 3.3Å; A98-C114 PolarHBondContact N-O 3.35Å; A98-C114 WeakPolarHBondContact O-CA 3.4Å; A98-C114 WeakPolarHBondContact O-CB 3.48Å; A98-C114 PolarHBondContact O-N 2.81Å; C114-V219 CarbonylContact C-O 3.48Å; C114-V219 VanDerWaalsContact CA-O 3.23Å; C114-V219 WeakPolarHBondContact CA-O 3.14Å; C114-I221 HydrophobicContact CB-CD1 4.2Å
115L94.8Very high86.5Confident3 Ų339.2 Ų39.22%0.01622%0.223CC..EExtended strand (participates in β ladder)trans-109.5129.8163.5178.570.5000108.4L95 T97 V217 V219 L220 I221 L268L95-L115 HydrophobicContact CB-CD1 3.87Å; L95-L115 HydrophobicContact CD1-CD1 4.2Å; T97-L115 HydrophobicContact CG2-CD1 4.08Å; L115-V217 HydrophobicContact CB-CG1 3.63Å; L115-V217 HydrophobicContact CB-CG2 4.06Å; L115-V219 PolarHBondContact N-O 3.31Å; L115-L220 HydrophobicContact CD2-CD1 4.25Å; L115-L220 CarbonylContact O-C 3.57Å; L115-L220 WeakPolarHBondContact O-CA 3.21Å; L115-I221 PolarHBondContact O-N 2.65Å; L115-L268 HydrophobicContact CD2-CD1 3.44Å; L115-L268 VanDerWaalsContact CD2-CD1 3.44Å
116L94.4Very high87.7Confident8 Ų836.1 Ų36.14%0.04220%0.199CC..EExtended strand (participates in β ladder)trans-100.1118.2175.9-64.385.3000108.7Q96 A98 I221 Y226 F229 V230 I252Q96-L116 HydrophobicContact CB-CB 4.06Å; Q96-L116 PolarHBondContact O-N 3.04Å; A98-L116 HydrophobicContact CB-CD1 4.02Å; L116-I221 HydrophobicContact CG-CB 4.37Å; L116-I221 HydrophobicContact CG-CD1 4.34Å; L116-Y226 HydrophobicContact CB-CD2 3.91Å; L116-Y226 HydrophobicContact CB-CE2 3.76Å; L116-Y226 HydrophobicContact CD2-CD2 4.33Å; L116-Y226 HydrophobicContact CD2-CE2 4.28Å; L116-F229 HydrophobicContact CD2-CB 4.36Å; L116-V230 HydrophobicContact CD2-CG2 3.76Å; L116-I252 HydrophobicContact CD1-CD1 4.11Å; L116-I252 HydrophobicContact CD2-CD1 3.83Å
117D89Confident88.7Confident20 Ų2036.9 Ų36.911%0.10720%0.198CC..EExtended strand (participates in β ladder)trans-136.2102.7-175.4-178.213.7000110.9G119 S120 L220 I221 G222D117-G119 PolarHBondContact O-N 2.96Å; D117-G119 VanDerWaalsContact OD1-CA 3.31Å; D117-G119 WeakPolarHBondContact OD1-CA 3.34Å; D117-G119 PolarHBondContact OD1-N 3.36Å; D117-S120 PolarHBondContact O-N 3.45Å; D117-L220 HydrophobicContact CB-CD1 4.37Å; D117-L220 HydrophobicContact CB-CD2 4.32Å; D117-L220 HydrophobicContact CB-CG 4.37Å; D117-I221 PolarHBondContact N-O 3.19Å; D117-G222 WeakPolarHBondContact O-CA 3.47Å
118V85.1Confident89.5Confident63 Ų6337.5 Ų37.538%0.38219%0.191SC..THydrogen-bonded Turntrans-65.5-20.3174.8-165.30000111.4S120 A223 Y226V118-S120 PolarHBondContact O-N 3.2Å; V118-A223 HydrophobicContact CG1-CB 4.14Å; V118-Y226 HydrophobicContact CG2-CD1 3.64Å; V118-Y226 HydrophobicContact CG2-CD2 3.49Å; V118-Y226 VanDerWaalsContact CG2-CD2 3.49Å; V118-Y226 HydrophobicContact CG2-CE1 3.56Å; V118-Y226 HydrophobicContact CG2-CE2 3.4Å; V118-Y226 HydrophobicContact CG2-CG 3.61Å; V118-Y226 VanDerWaalsContact CG2-CZ 3.44Å
119G78Confident90.2Very high26 Ų2636.4 Ų36.427%0.26818%0.182SC..THydrogen-bonded Turntrans-72.1-11.6173.600000113.5D117 C270D117-G119 PolarHBondContact O-N 2.96Å; D117-G119 VanDerWaalsContact OD1-CA 3.31Å; D117-G119 WeakPolarHBondContact OD1-CA 3.34Å; D117-G119 PolarHBondContact OD1-N 3.36Å; G119-C270 CarbonylContact O-C 3.56Å; G119-C270 PolarHBondContact O-N 3.01Å; G119-C270 VanDerWaalsContact O-N 3.11Å
120S81.3Confident90.5Very high0 Ų030 Ų300%015%0.154CC..BIsolated β-bridgetrans-96.6121.6173-1720000111.3D117 V118 R122 L220 G222 A223 C270D117-S120 PolarHBondContact O-N 3.45Å; V118-S120 PolarHBondContact O-N 3.2Å; S120-R122 VanDerWaalsContact C-N 3.29Å; S120-R122 PolarHBondContact O-N 3.34Å; S120-R122 PolarHBondContact OG-O 3.07Å; S120-L220 WeakPolarHBondContact OG-CD2 3.42Å; S120-G222 CarbonylContact O-C 3.47Å; S120-G222 WeakPolarHBondContact O-CA 3.38Å; S120-A223 PolarHBondContact O-N 2.95Å; S120-C270 VanDerWaalsContact CA-O 3.27Å; S120-C270 WeakPolarHBondContact CA-O 3.25Å
121Q77.6Confident90.5Very high92 Ų9231.3 Ų31.343%0.4316%0.158SC..SBendtrans-72.3-22.3179.3-69.7177-21.400114D224 C270 I272Q121-D224 WeakPolarHBondContact O-CB 3.31Å; Q121-C270 PolarHBondContact N-O 2.83Å; Q121-I272 VanDerWaalsContact OE1-N 3.13Å; Q121-I272 PolarHBondContact OE1-O 3.2Å
122R87.7Confident90.2Very high92 Ų9232.5 Ų32.535%0.34717%0.165SC..SBendtrans-124.9158.5178.2-67-77.7-176-129.72.8111.1S120 F124 L179 D224 I272 E274S120-R122 VanDerWaalsContact C-N 3.29Å; S120-R122 PolarHBondContact O-N 3.34Å; S120-R122 PolarHBondContact OG-O 3.07Å; R122-F124 HydrophobicContact CB-CE2 4.41Å; R122-F124 WeakPolarHBondContact O-CD2 3.4Å; R122-L179 HydrophobicContact CB-CD1 4.34Å; R122-L179 HydrophobicContact CG-CD1 4.43Å; R122-D224 WeakPolarHBondContact CA-OD2 3.2Å; R122-I272 HydrophobicContact CB-CD1 3.56Å; R122-I272 HydrophobicContact CG-CD1 3.72Å; R122-E274 IonicContact CZ-OE1 2.7Å; R122-E274 IonicContact NE-OE1 2.66Å; R122-E274 PolarHBondContact NE-OE1 3.28Å; R122-E274 IonicContact NH2-OE1 3.92Å; R122-E274 PolarHBondContact NH2-OE1 3.07Å; R122-E274 IonicContact NH2-OE2 3.18Å
123S93.7Very high89.8Confident1 Ų133.1 Ų33.11%0.00717%0.168CC..  trans-89.1146.6169.9-64.70000112.6A178 L179 L220 G222 D224 Y225S123-A178 VanDerWaalsContact O-CA 3.27Å; S123-A178 WeakPolarHBondContact O-CA 3.39Å; S123-L179 PolarHBondContact O-N 3.4Å; S123-L220 CarbonylContact C-O 3.5Å; S123-L220 WeakPolarHBondContact CA-O 3.37Å; S123-L220 WeakPolarHBondContact CB-O 3.43Å; S123-G222 PolarHBondContact OG-N 3.06Å; S123-D224 PolarHBondContact N-OD1 3.23Å; S123-D224 PolarHBondContact N-OD2 3.39Å; S123-D224 PolarHBondContact OG-OD1 3.05Å; S123-Y225 WeakPolarHBondContact OG-CD2 3.46Å
124F94.3Very high89.3Confident2 Ų235.2 Ų35.21%0.00919%0.189CC..EExtended strand (participates in β ladder)trans-131.8156-176.2-64.6-88000112.2R122 I144 L179 V181 I184 V219 L220 I272R122-F124 HydrophobicContact CB-CE2 4.41Å; R122-F124 WeakPolarHBondContact O-CD2 3.4Å; F124-I144 HydrophobicContact CE1-CD1 4.39Å; F124-L179 WeakPolarHBondContact CA-O 3.38Å; F124-L179 HydrophobicContact CD1-CB 3.76Å; F124-L179 HydrophobicContact CE1-CB 4Å; F124-L179 HydrophobicContact CE1-CD1 4.15Å; F124-V181 HydrophobicContact CB-CG2 4.04Å; F124-V181 HydrophobicContact CD1-CB 4.49Å; F124-V181 HydrophobicContact CD1-CG1 3.59Å; F124-V181 HydrophobicContact CD1-CG2 4.06Å; F124-V181 HydrophobicContact CE1-CG1 3.88Å; F124-V181 HydrophobicContact CG-CG2 4.39Å; F124-I184 HydrophobicContact CB-CG1 4.43Å; F124-V219 CarbonylContact O-C 3.59Å; F124-V219 WeakPolarHBondContact O-CA 3.35Å; F124-L220 HydrophobicContact CB-CB 4.26Å; F124-L220 HydrophobicContact CD2-CD2 4.17Å; F124-L220 PolarHBondContact N-O 3.26Å; F124-L220 PolarHBondContact O-N 3.25Å; F124-I272 HydrophobicContact CE1-CD1 4.29Å; F124-I272 HydrophobicContact CE2-CD1 3.75Å; F124-I272 HydrophobicContact CZ-CD1 3.28Å; F124-I272 HydrophobicContact CZ-CG1 4.32Å
125V95.1Very high88.9Confident0 Ų035.5 Ų35.50%019%0.191CC..EExtended strand (participates in β ladder)trans-136.9142.5174.1620000110.2K127 L129 A130 V160 F162 A178 L179 C180 V181 V219V125-K127 PolarHBondContact O-N 3.07Å; V125-L129 HydrophobicContact CG2-CD2 3.93Å; V125-A130 HydrophobicContact CG1-CB 4.13Å; V125-A130 HydrophobicContact CG2-CB 4.47Å; V125-V160 HydrophobicContact CG1-CG2 3.64Å; V125-F162 HydrophobicContact CB-CE1 3.9Å; V125-F162 HydrophobicContact CB-CZ 4.06Å; V125-F162 HydrophobicContact CG1-CE1 4Å; V125-F162 HydrophobicContact CG2-CE1 4.11Å; V125-F162 HydrophobicContact CG2-CZ 4.23Å; V125-A178 HydrophobicContact CB-CB 4.36Å; V125-A178 HydrophobicContact CG1-CB 4.23Å; V125-L179 PolarHBondContact N-O 3.34Å; V125-C180 WeakPolarHBondContact O-CA 3.47Å; V125-V181 PolarHBondContact O-N 3.48Å; V125-V219 HydrophobicContact CG2-CG2 4.15Å
126R93.8Very high88.5Confident31 Ų3140.4 Ų40.412%0.11722%0.217CC..EExtended strand (participates in β ladder)trans-60.3130.2176.5-148.3176.952.8-131.8-23109.9D128 L129 A130 V181 P182 E216 D218R126-D128 WeakPolarHBondContact CB-OD1 3.4Å; R126-D128 VanDerWaalsContact CD-OD1 3.26Å; R126-D128 WeakPolarHBondContact CD-OD1 3.49Å; R126-D128 WeakPolarHBondContact CG-OD1 3.44Å; R126-D128 IonicContact CZ-OD1 3.14Å; R126-D128 IonicContact CZ-OD2 3.75Å; R126-D128 VanDerWaalsContact NE-CG 3.32Å; R126-D128 IonicContact NE-OD1 3.04Å; R126-D128 PolarHBondContact NE-OD1 3.26Å; R126-D128 IonicContact NE-OD2 3.83Å; R126-D128 PolarHBondContact NE-OD2 2.98Å; R126-D128 VanDerWaalsContact NE-OD2 3.17Å; R126-D128 IonicContact NH2-OD2 3.09Å; R126-D128 PolarHBondContact O-N 3.36Å; R126-L129 HydrophobicContact CB-CB 4.16Å; R126-L129 WeakPolarHBondContact O-CB 3.32Å; R126-L129 PolarHBondContact O-N 2.73Å; R126-A130 PolarHBondContact O-N 3.48Å; R126-V181 CarbonylContact C-O 3.59Å; R126-V181 WeakPolarHBondContact CA-O 3.47Å; R126-P182 VanDerWaalsContact CG-O 3.24Å; R126-P182 WeakPolarHBondContact CG-O 3.09Å; R126-E216 IonicContact CZ-OE2 3.36Å; R126-E216 IonicContact NH1-OE2 2.97Å; R126-E216 PolarHBondContact NH1-OE2 3.37Å; R126-D218 IonicContact CZ-OD1 2.7Å; R126-D218 VanDerWaalsContact CZ-OD1 3.26Å; R126-D218 PolarHBondContact N-O 3.36Å; R126-D218 IonicContact NH1-OD1 2.79Å; R126-D218 PolarHBondContact NH1-OD1 2.91Å; R126-D218 IonicContact NH2-OD1 3.85Å; R126-D218 PolarHBondContact NH2-OD1 3.32Å
127K92Very high88.1Confident99 Ų9941.7 Ų41.743%0.4323%0.233SC..Hα-helixtrans-63.8-42.8-170.8-179.1178.2178.4-179.30111.2V125 L129 A130 D131 C180 V181V125-K127 PolarHBondContact O-N 3.07Å; K127-L129 VanDerWaalsContact C-N 3.35Å; K127-L129 PolarHBondContact O-N 3.16Å; K127-A130 PolarHBondContact O-N 3.09Å; K127-D131 WeakPolarHBondContact O-CB 3.49Å; K127-D131 PolarHBondContact O-N 2.94Å; K127-C180 HydrophobicContact CB-CB 4.31Å; K127-C180 HydrophobicContact CG-CB 4.34Å; K127-V181 WeakPolarHBondContact CB-O 3.3Å; K127-V181 PolarHBondContact N-O 3.38Å
128D90.3Very high88Confident53 Ų5344.7 Ų44.728%0.28325%0.253SS..Hα-helixtrans-60.6-41.1175.370-33.8000112.2R126 D131 N132R126-D128 WeakPolarHBondContact CB-OD1 3.4Å; R126-D128 VanDerWaalsContact CD-OD1 3.26Å; R126-D128 WeakPolarHBondContact CD-OD1 3.49Å; R126-D128 WeakPolarHBondContact CG-OD1 3.44Å; R126-D128 IonicContact CZ-OD1 3.14Å; R126-D128 IonicContact CZ-OD2 3.75Å; R126-D128 VanDerWaalsContact NE-CG 3.32Å; R126-D128 IonicContact NE-OD1 3.04Å; R126-D128 PolarHBondContact NE-OD1 3.26Å; R126-D128 IonicContact NE-OD2 3.83Å; R126-D128 PolarHBondContact NE-OD2 2.98Å; R126-D128 VanDerWaalsContact NE-OD2 3.17Å; R126-D128 IonicContact NH2-OD2 3.09Å; R126-D128 PolarHBondContact O-N 3.36Å; D128-D131 PolarHBondContact O-N 2.93Å; D128-N132 WeakPolarHBondContact O-CB 3.33Å; D128-N132 PolarHBondContact O-N 3.17Å; D128-N132 PolarHBondContact O-ND2 3.48Å; D128-N132 PolarHBondContact O-OD1 2.73Å
129L91.4Very high87.9Confident22 Ų2247 Ų4712%0.11526%0.263CS..Hα-helixtrans-63.6-46.8175.3-18073000110.3L102 V112 V125 R126 K127 D131 N132 L133 D218L102-L129 HydrophobicContact CD1-CD2 4.47Å; V112-L129 HydrophobicContact CG1-CD1 4.48Å; V112-L129 HydrophobicContact CG1-CD2 3.87Å; V125-L129 HydrophobicContact CG2-CD2 3.93Å; R126-L129 HydrophobicContact CB-CB 4.16Å; R126-L129 WeakPolarHBondContact O-CB 3.32Å; R126-L129 PolarHBondContact O-N 2.73Å; K127-L129 VanDerWaalsContact C-N 3.35Å; K127-L129 PolarHBondContact O-N 3.16Å; L129-D131 VanDerWaalsContact C-N 3.34Å; L129-D131 PolarHBondContact O-N 2.89Å; L129-N132 PolarHBondContact O-N 3Å; L129-L133 HydrophobicContact CD1-CD1 4.09Å; L129-L133 HydrophobicContact CG-CD1 3.94Å; L129-L133 VanDerWaalsContact O-CB 3.29Å; L129-L133 WeakPolarHBondContact O-CB 3.47Å; L129-L133 WeakPolarHBondContact O-CG 3.47Å; L129-L133 PolarHBondContact O-N 3.38Å; L129-D218 HydrophobicContact CD2-CB 3.72Å
130A91.8Very high87.8Confident0 Ų048.3 Ų48.30%026%0.262CS..Hα-helixtrans-62.2-40.9176.800000112V125 R126 K127 L133 G134 L135 C180V125-A130 HydrophobicContact CG1-CB 4.13Å; V125-A130 HydrophobicContact CG2-CB 4.47Å; R126-A130 PolarHBondContact O-N 3.48Å; K127-A130 PolarHBondContact O-N 3.09Å; A130-L133 CarbonylContact O-C 3.5Å; A130-L133 PolarHBondContact O-N 2.82Å; A130-G134 PolarHBondContact O-N 2.75Å; A130-L135 HydrophobicContact CB-CB 4.35Å; A130-L135 HydrophobicContact CB-CD1 4.35Å; A130-L135 PolarHBondContact O-N 3.32Å; A130-C180 WeakPolarHBondContact CB-SG 3.35Å
131D90.2Very high87.4Confident51 Ų5156.9 Ų56.927%0.27330%0.296SS..Hα-helixtrans-65.6-46.6176-70.5-23.2000111.8K127 D128 L129 L133 G134 R158K127-D131 WeakPolarHBondContact O-CB 3.49Å; K127-D131 PolarHBondContact O-N 2.94Å; D128-D131 PolarHBondContact O-N 2.93Å; L129-D131 VanDerWaalsContact C-N 3.34Å; L129-D131 PolarHBondContact O-N 2.89Å; D131-L133 PolarHBondContact O-N 2.78Å; D131-G134 WeakPolarHBondContact O-CA 3.32Å; D131-G134 PolarHBondContact O-N 3.14Å; D131-R158 IonicContact OD1-CZ 2.7Å; D131-R158 IonicContact OD1-NH1 3.97Å; D131-R158 PolarHBondContact OD1-NH1 3.31Å; D131-R158 IonicContact OD1-NH2 3.3Å; D131-R158 PolarHBondContact OD1-NH2 3.35Å
132N86.2Confident87.2Confident119 Ų11953.1 Ų53.164%0.63628%0.279SS*.Hα-helixtrans-64.1-32.5178.4-69.7-15.6000111.5D128 L129 G134D128-N132 WeakPolarHBondContact O-CB 3.33Å; D128-N132 PolarHBondContact O-N 3.17Å; D128-N132 PolarHBondContact O-ND2 3.48Å; D128-N132 PolarHBondContact O-OD1 2.73Å; L129-N132 PolarHBondContact O-N 3Å; N132-G134 VanDerWaalsContact C-N 3.32Å
133L86.5Confident86.3Confident14 Ų1449.4 Ų49.47%0.07327%0.267CS..Hα-helixtrans-80.4-12.5171.6-68171.9000112.7L102 R104 A110 L129 A130 D131 L135L102-L133 HydrophobicContact CD1-CD1 4Å; L102-L133 HydrophobicContact CD2-CD1 3.67Å; L102-L133 HydrophobicContact CG-CD1 4.41Å; R104-L133 WeakPolarHBondContact CD-O 3.37Å; R104-L133 PolarHBondContact NE-O 3.12Å; R104-L133 PolarHBondContact NH1-O 2.97Å; A110-L133 HydrophobicContact CB-CD1 4.39Å; A110-L133 HydrophobicContact CB-CD2 3.94Å; L129-L133 HydrophobicContact CD1-CD1 4.09Å; L129-L133 HydrophobicContact CG-CD1 3.94Å; L129-L133 VanDerWaalsContact O-CB 3.29Å; L129-L133 WeakPolarHBondContact O-CB 3.47Å; L129-L133 WeakPolarHBondContact O-CG 3.47Å; L129-L133 PolarHBondContact O-N 3.38Å; A130-L133 CarbonylContact O-C 3.5Å; A130-L133 PolarHBondContact O-N 2.82Å; D131-L133 PolarHBondContact O-N 2.78Å; L133-L135 VanDerWaalsContact C-N 3.3Å; L133-L135 HydrophobicContact CB-CD1 4.32Å; L133-L135 HydrophobicContact CB-CG 3.93Å; L133-L135 HydrophobicContact CD1-CD1 4.29Å; L133-L135 PolarHBondContact O-N 2.84Å
134G85.6Confident85.1Confident43 Ų4349.7 Ų49.744%0.44327%0.268SS..THydrogen-bonded Turntrans62.437.5-175.700000112.5A130 D131 N132 N136A130-G134 PolarHBondContact O-N 2.75Å; D131-G134 WeakPolarHBondContact O-CA 3.32Å; D131-G134 PolarHBondContact O-N 3.14Å; N132-G134 VanDerWaalsContact C-N 3.32Å; G134-N136 PolarHBondContact O-N 3.42Å
135L88.1Confident83.6Confident7 Ų751.6 Ų51.64%0.03728%0.278CS..  trans-76.4117.8173.8-65.3176.7000109.1R104 A130 L133 R158 V160 F162R104-L135 HydrophobicContact CG-CD2 4.04Å; A130-L135 HydrophobicContact CB-CB 4.35Å; A130-L135 HydrophobicContact CB-CD1 4.35Å; A130-L135 PolarHBondContact O-N 3.32Å; L133-L135 VanDerWaalsContact C-N 3.3Å; L133-L135 HydrophobicContact CB-CD1 4.32Å; L133-L135 HydrophobicContact CB-CG 3.93Å; L133-L135 HydrophobicContact CD1-CD1 4.29Å; L133-L135 PolarHBondContact O-N 2.84Å; L135-R158 VanDerWaalsContact O-CZ 3.32Å; L135-R158 PolarHBondContact O-NE 3.49Å; L135-V160 HydrophobicContact CB-CB 3.99Å; L135-V160 HydrophobicContact CB-CG1 3.96Å; L135-V160 HydrophobicContact CB-CG2 4.38Å; L135-V160 HydrophobicContact CD1-CG2 4.34Å; L135-V160 WeakPolarHBondContact O-CG1 3.45Å; L135-F162 HydrophobicContact CD1-CB 4.15Å; L135-F162 HydrophobicContact CD1-CD1 3.75Å; L135-F162 HydrophobicContact CD1-CG 4.23Å; L135-F162 HydrophobicContact CD2-CB 4.29Å
136N85.8Confident82Confident106 Ų10652.9 Ų52.957%0.56729%0.286SS*.  trans-110.4151.2-177.9-65.4-28.9000110.8G134G134-N136 PolarHBondContact O-N 3.42Å
137G87.4Confident80Confident35 Ų3559.4 Ų59.436%0.36132%0.316SS..  trans178.4-179.3173.100000111.3S159G137-S159 CarbonylContact C-O 3.39Å; G137-S159 WeakPolarHBondContact CA-O 3.43Å
138P85.4Confident78Confident82 Ų8258.3 Ų58.353%0.53233%0.333SS..  trans-70.1153.9-175.330.4-35000111.7S159P138-S159 PolarHBondContact O-N 3.06Å
139N84.4Confident76.2Confident112 Ų11260.1 Ų60.160%0.59934%0.342SS*.EExtended strand (participates in β ladder)trans-85.2136.1168.5-74.2-16.6000109.8V156 R158N139-V156 HydrophobicContact CB-CG1 3.62Å; N139-R158 WeakPolarHBondContact OD1-CA 3.35Å; N139-R158 WeakPolarHBondContact OD1-CB 3.19Å
140E76Confident74.1Confident53 Ų5370.3 Ų70.325%0.24838%0.379CS..EExtended strand (participates in β ladder)trans-124.2140.2179.9-64.2175-175.300109I142 V156 A157 S159 K177E140-I142 HydrophobicContact CB-CG2 4.46Å; E140-V156 CarbonylContact O-C 3.22Å; E140-V156 WeakPolarHBondContact O-CA 3.33Å; E140-A157 PolarHBondContact N-O 3.36Å; E140-A157 PolarHBondContact O-N 3.1Å; E140-S159 WeakPolarHBondContact OE1-CB 3.07Å; E140-K177 WeakPolarHBondContact OE1-CE 3.42Å; E140-K177 IonicContact OE1-NZ 3.29Å; E140-K177 PolarHBondContact OE1-NZ 3.02Å
141Y73.1Confident72.2Confident180 Ų18078.4 Ų78.471%0.70642%0.417SS*.EExtended strand (participates in β ladder)trans-85122.2172.9-75.2-91.6000108.9V156Y141-V156 HydrophobicContact CD1-CG2 3.53Å; Y141-V156 HydrophobicContact CE1-CG2 3.23Å; Y141-V156 HydrophobicContact CE2-CG2 4.29Å; Y141-V156 HydrophobicContact CG-CG2 4.17Å
142I71.5Confident70.5Confident14 Ų1476.9 Ų76.97%0.07241%0.413CS..EExtended strand (participates in β ladder)trans-128.6152.2-175.863.1169.8000110.9E140 I144 Q154 E155 A157 L179E140-I142 HydrophobicContact CB-CG2 4.46Å; I142-I144 HydrophobicContact CD1-CD1 3.86Å; I142-I144 HydrophobicContact CD1-CG1 3.87Å; I142-I144 HydrophobicContact CG1-CG1 4.33Å; I142-Q154 CarbonylContact O-C 3.55Å; I142-Q154 VanDerWaalsContact O-CA 3.31Å; I142-Q154 WeakPolarHBondContact O-CA 3.45Å; I142-E155 WeakPolarHBondContact CG1-O 3.36Å; I142-E155 PolarHBondContact N-O 2.88Å; I142-E155 PolarHBondContact O-N 3.19Å; I142-A157 HydrophobicContact CD1-CB 3.47Å; I142-A157 VanDerWaalsContact CD1-CB 3.47Å; I142-A157 HydrophobicContact CG1-CB 4.01Å; I142-L179 HydrophobicContact CD1-CD1 3.97Å; I142-L179 HydrophobicContact CG2-CD1 4.03Å; I142-L179 HydrophobicContact CG2-CD2 4.36Å
143S69.2Low69.2Low14 Ų1476.6 Ų76.610%0.09840%0.403CS..EExtended strand (participates in β ladder)trans-116111.4170.7-174.90000109.2G152 I272S143-G152 WeakPolarHBondContact OG-CA 3.37Å; S143-I272 WeakPolarHBondContact O-CG2 3.35Å
144I68.3Low68.1Low6 Ų680 Ų803%0.03142%0.419CS..EExtended strand (participates in β ladder)trans-92.9113.9-179-57.6173.1000108.6L81 F124 I142 T146 G152 R153 V181L81-I144 HydrophobicContact CD1-CD1 4.13Å; L81-I144 HydrophobicContact CD1-CG2 4.49Å; L81-I144 HydrophobicContact CD2-CD1 3.91Å; F124-I144 HydrophobicContact CE1-CD1 4.39Å; I142-I144 HydrophobicContact CD1-CD1 3.86Å; I142-I144 HydrophobicContact CD1-CG1 3.87Å; I142-I144 HydrophobicContact CG1-CG1 4.33Å; I144-T146 HydrophobicContact CG2-CG2 4.28Å; I144-G152 CarbonylContact O-C 3.52Å; I144-G152 WeakPolarHBondContact O-CA 3.3Å; I144-R153 PolarHBondContact N-O 3.49Å; I144-R153 PolarHBondContact O-N 2.92Å; I144-V181 HydrophobicContact CD1-CG1 4.41Å
145L62.7Low67.3Low42 Ų4280.2 Ų80.222%0.2241%0.408CS..EExtended strand (participates in β ladder)trans-99.6121.1173.7-65.9119.7000110.3Q271L145-Q271 WeakPolarHBondContact CA-O 3.4Å; L145-Q271 HydrophobicContact CB-CB 4.46Å; L145-Q271 VanDerWaalsContact CB-O 3.29Å; L145-Q271 WeakPolarHBondContact CB-O 3.49Å; L145-Q271 PolarHBondContact N-O 2.81Å; L145-Q271 PolarHBondContact O-N 3.42Å; L145-Q271 VanDerWaalsContact O-O 3.07Å
146T62.8Low66.6Low28 Ų2883.4 Ų83.417%0.17243%0.427CS..EExtended strand (participates in β ladder)trans-106.5162.2176.758.60000111.5I144 G148 N149I144-T146 HydrophobicContact CG2-CG2 4.28Å; T146-G148 PolarHBondContact O-N 2.91Å; T146-N149 PolarHBondContact O-N 3.23Å; T146-N149 VanDerWaalsContact O-N 3.13Å; T146-N149 PolarHBondContact OG1-ND2 2.84Å; T146-N149 VanDerWaalsContact OG1-ND2 3.07Å
147F51.5Low66.5Low168 Ų16878.6 Ų78.674%0.73740%0.402SS*.THydrogen-bonded Turntrans-52.2127178.1-167.3-91.5000111.7
148G50.4Low66.7Low76 Ų7678.5 Ų78.578%0.78439%0.391SS*.THydrogen-bonded Turntrans91.3-11.3179.700000116.1T146T146-G148 PolarHBondContact O-N 2.91Å
149N51.4Low67.1Low91 Ų9174.8 Ų74.849%0.48737%0.367SS..  trans-106.1121.5-177.6-72.1-38.7000112.2T146T146-N149 PolarHBondContact O-N 3.23Å; T146-N149 VanDerWaalsContact O-N 3.13Å; T146-N149 PolarHBondContact OG1-ND2 2.84Å; T146-N149 VanDerWaalsContact OG1-ND2 3.07Å
150R48Very low67.5Low235 Ų23569.6 Ų69.689%0.88734%0.339SS*.SBendtrans-78.9-16.4174.4-77.4-171.8176.1-164.5-1.5114.1
151H51.8Low68.4Low170 Ų17072.7 Ų72.779%0.78735%0.354SS*.SBendtrans-120.6112.5180-59.392.1000108.4
152G54.8Low69.4Low19 Ų1964.1 Ų64.120%0.19632%0.32CS..PPolyproline II helixtrans-66.2146.1176.500000112S143 I144 Q154S143-G152 WeakPolarHBondContact OG-CA 3.37Å; I144-G152 CarbonylContact O-C 3.52Å; I144-G152 WeakPolarHBondContact O-CA 3.3Å; G152-Q154 PolarHBondContact O-N 3.36Å
153R59Low70.5Confident113 Ų11363.6 Ų63.643%0.42632%0.318SS..EExtended strand (participates in β ladder)trans-75.2118173.3-173173.8162.7179.3-13.2107.7I144 E155I144-R153 PolarHBondContact N-O 3.49Å; I144-R153 PolarHBondContact O-N 2.92Å; R153-E155 HydrophobicContact CG-CG 4.09Å; R153-E155 IonicContact CZ-OE1 2.69Å; R153-E155 IonicContact NE-OE1 3.34Å; R153-E155 PolarHBondContact NE-OE1 3.43Å; R153-E155 IonicContact NH2-OE1 3.71Å; R153-E155 PolarHBondContact NH2-OE1 2.99Å
154Q62.4Low71.8Confident86 Ų8663 Ų6340%0.40231%0.313SS..EExtended strand (participates in β ladder)trans-82.8122.5177.6-71.8-175.1-25.400110.1I142 G152I142-Q154 CarbonylContact O-C 3.55Å; I142-Q154 VanDerWaalsContact O-CA 3.31Å; I142-Q154 WeakPolarHBondContact O-CA 3.45Å; G152-Q154 PolarHBondContact O-N 3.36Å
155E69.2Low73Confident48 Ų4862.7 Ų62.722%0.22431%0.312CS..EExtended strand (participates in β ladder)trans-139.5158.8-179.6-61.9-159.9147.500112I142 R153I142-E155 WeakPolarHBondContact CG1-O 3.36Å; I142-E155 PolarHBondContact N-O 2.88Å; I142-E155 PolarHBondContact O-N 3.19Å; R153-E155 HydrophobicContact CG-CG 4.09Å; R153-E155 IonicContact CZ-OE1 2.69Å; R153-E155 IonicContact NE-OE1 3.34Å; R153-E155 PolarHBondContact NE-OE1 3.43Å; R153-E155 IonicContact NH2-OE1 3.71Å; R153-E155 PolarHBondContact NH2-OE1 2.99Å
156V73.9Confident74.4Confident73 Ų7361.1 Ų61.144%0.44230%0.304SS..EExtended strand (participates in β ladder)trans-93.5115.9168.2-179.80000108.2N139 E140 Y141N139-V156 HydrophobicContact CB-CG1 3.62Å; E140-V156 CarbonylContact O-C 3.22Å; E140-V156 WeakPolarHBondContact O-CA 3.33Å; Y141-V156 HydrophobicContact CD1-CG2 3.53Å; Y141-V156 HydrophobicContact CE1-CG2 3.23Å; Y141-V156 HydrophobicContact CE2-CG2 4.29Å; Y141-V156 HydrophobicContact CG-CG2 4.17Å
157A83.4Confident75.7Confident5 Ų562.2 Ų62.24%0.04131%0.311CS..EExtended strand (participates in β ladder)trans-112.9134.9177.100000110.7E140 I142 S159 L179E140-A157 PolarHBondContact N-O 3.36Å; E140-A157 PolarHBondContact O-N 3.1Å; I142-A157 HydrophobicContact CD1-CB 3.47Å; I142-A157 VanDerWaalsContact CD1-CB 3.47Å; I142-A157 HydrophobicContact CG1-CB 4.01Å; A157-S159 PolarHBondContact O-N 3.11Å; A157-L179 HydrophobicContact CB-CB 4.18Å; A157-L179 HydrophobicContact CB-CD2 4.08Å
158R92Very high77.2Confident34 Ų3458.6 Ų58.613%0.12831%0.312CS..EExtended strand (participates in β ladder)trans-73.9122.9172.5-173.7-17963.2-154.4-10.3108.6D131 L135 N139 V160 C180D131-R158 IonicContact OD1-CZ 2.7Å; D131-R158 IonicContact OD1-NH1 3.97Å; D131-R158 PolarHBondContact OD1-NH1 3.31Å; D131-R158 IonicContact OD1-NH2 3.3Å; D131-R158 PolarHBondContact OD1-NH2 3.35Å; L135-R158 VanDerWaalsContact O-CZ 3.32Å; L135-R158 PolarHBondContact O-NE 3.49Å; N139-R158 WeakPolarHBondContact OD1-CA 3.35Å; N139-R158 WeakPolarHBondContact OD1-CB 3.19Å; R158-V160 HydrophobicContact CG-CG1 4.04Å; R158-C180 HydrophobicContact CB-CB 4.18Å; R158-C180 WeakPolarHBondContact O-CB 3.4Å; R158-C180 PolarHBondContact O-N 3.43Å; R158-C180 PolarHBondContact O-SG 3.26Å; R158-C180 VanDerWaalsContact O-SG 3.34Å
159S92.5Very high78.4Confident4 Ų462.3 Ų62.33%0.02831%0.309CS..EExtended strand (participates in β ladder)trans-90.8125.9175.9-154.50000110.1G137 P138 E140 A157 K177G137-S159 CarbonylContact C-O 3.39Å; G137-S159 WeakPolarHBondContact CA-O 3.43Å; P138-S159 PolarHBondContact O-N 3.06Å; E140-S159 WeakPolarHBondContact OE1-CB 3.07Å; A157-S159 PolarHBondContact O-N 3.11Å; S159-K177 WeakPolarHBondContact OG-CE 3.5Å
160V93.8Very high79.6Confident2 Ų258.9 Ų58.91%0.01230%0.295CS..EExtended strand (participates in β ladder)trans-128.4148.9-174.8-63.60000111.5V125 L135 R158 F162 K177 A178V125-V160 HydrophobicContact CG1-CG2 3.64Å; L135-V160 HydrophobicContact CB-CB 3.99Å; L135-V160 HydrophobicContact CB-CG1 3.96Å; L135-V160 HydrophobicContact CB-CG2 4.38Å; L135-V160 HydrophobicContact CD1-CG2 4.34Å; L135-V160 WeakPolarHBondContact O-CG1 3.45Å; R158-V160 HydrophobicContact CG-CG1 4.04Å; V160-F162 HydrophobicContact CG2-CD1 4.13Å; V160-F162 HydrophobicContact CG2-CE1 4.12Å; V160-K177 CarbonylContact O-C 3.57Å; V160-K177 WeakPolarHBondContact O-CA 3.19Å; V160-A178 WeakPolarHBondContact CG2-O 3.25Å; V160-A178 PolarHBondContact N-O 3.49Å; V160-A178 PolarHBondContact O-N 2.93Å
161E94.2Very high81.3Confident119 Ų11954.9 Ų54.956%0.55628%0.284SS*.EExtended strand (participates in β ladder)trans-111.3133.7175.1-75-178.2-177.800111.4I176 K177E161-I176 WeakPolarHBondContact CA-O 3.35Å; E161-K177 HydrophobicContact CG-CB 3.96Å; E161-K177 HydrophobicContact CG-CG 4.02Å
162F94.5Very high83Confident0 Ų049.7 Ų49.70%027%0.266CS..EExtended strand (participates in β ladder)trans-150167.2174.655.1-94.3000111.6L102 V125 L135 V160 L164 W175 I176 A178 V219L102-F162 HydrophobicContact CD1-CD1 4.44Å; L102-F162 HydrophobicContact CD1-CD2 3.58Å; L102-F162 HydrophobicContact CD1-CE2 3.73Å; L102-F162 HydrophobicContact CD1-CG 3.95Å; L102-F162 HydrophobicContact CD1-CZ 4.22Å; L102-F162 HydrophobicContact CD2-CB 3.89Å; L102-F162 HydrophobicContact CD2-CD2 4.26Å; L102-F162 HydrophobicContact CD2-CG 4.2Å; L102-F162 HydrophobicContact CG-CB 4.17Å; L102-F162 HydrophobicContact CG-CD2 3.57Å; L102-F162 HydrophobicContact CG-CE2 4.15Å; L102-F162 HydrophobicContact CG-CG 4Å; V125-F162 HydrophobicContact CB-CE1 3.9Å; V125-F162 HydrophobicContact CB-CZ 4.06Å; V125-F162 HydrophobicContact CG1-CE1 4Å; V125-F162 HydrophobicContact CG2-CE1 4.11Å; V125-F162 HydrophobicContact CG2-CZ 4.23Å; L135-F162 HydrophobicContact CD1-CB 4.15Å; L135-F162 HydrophobicContact CD1-CD1 3.75Å; L135-F162 HydrophobicContact CD1-CG 4.23Å; L135-F162 HydrophobicContact CD2-CB 4.29Å; V160-F162 HydrophobicContact CG2-CD1 4.13Å; V160-F162 HydrophobicContact CG2-CE1 4.12Å; F162-L164 HydrophobicContact CD2-CD2 4.12Å; F162-L164 HydrophobicContact CD2-CG 4.2Å; F162-L164 HydrophobicContact CE2-CD1 4.32Å; F162-L164 HydrophobicContact CE2-CD2 3.91Å; F162-L164 HydrophobicContact CE2-CG 3.99Å; F162-W175 VanDerWaalsContact C-CE3 3.5Å; F162-W175 WeakPolarHBondContact O-CA 3.19Å; F162-I176 HydrophobicContact CD2-CD1 4.47Å; F162-I176 HydrophobicContact CD2-CG1 4.05Å; F162-I176 HydrophobicContact CE2-CD1 3.6Å; F162-I176 HydrophobicContact CE2-CG1 3.64Å; F162-I176 HydrophobicContact CZ-CD1 3.78Å; F162-I176 HydrophobicContact CZ-CG1 3.93Å; F162-I176 PolarHBondContact N-O 2.87Å; F162-I176 VanDerWaalsContact N-O 3.07Å; F162-I176 PolarHBondContact O-N 2.92Å; F162-A178 HydrophobicContact CE1-CB 3.78Å; F162-A178 HydrophobicContact CZ-CB 3.97Å; F162-V219 HydrophobicContact CE2-CG1 4.24Å; F162-V219 HydrophobicContact CE2-CG2 4.22Å; F162-V219 HydrophobicContact CZ-CG1 4.03Å; F162-V219 HydrophobicContact CZ-CG2 4.12Å
163C94.5Very high84.7Confident3 Ų355.4 Ų55.42%0.0228%0.281CS..EExtended strand (participates in β ladder)trans-107135.7180-179.60000110.9L102 I103 R173 K174 W175L102-C163 CarbonylContact C-O 3.42Å; L102-C163 WeakPolarHBondContact CA-O 3.36Å; I103-C163 HydrophobicContact CB-CB 4.27Å; I103-C163 PolarHBondContact N-O 2.95Å; I103-C163 PolarHBondContact O-N 3.27Å; C163-R173 VanDerWaalsContact SG-CB 3.6Å; C163-K174 CarbonylContact C-O 3.56Å; C163-K174 VanDerWaalsContact CA-O 3.31Å; C163-K174 WeakPolarHBondContact CA-O 3.45Å; C163-W175 HydrophobicContact CB-CD2 3.83Å; C163-W175 HydrophobicContact CB-CE3 4.19Å; C163-W175 HydrophobicContact CB-CG 4.25Å; C163-W175 HydrophobicContact CB-CH2 4.29Å; C163-W175 HydrophobicContact CB-CZ2 3.96Å; C163-W175 HydrophobicContact CB-CZ3 4.41Å
164L96Very high86.3Confident0 Ų053.2 Ų53.20%028%0.275CS..EExtended strand (participates in β ladder)trans-107.1140.7170.3-65.2177.7000110.6A100 L102 V112 F162 K174 I176 V219 I221 F229 F249A100-L164 HydrophobicContact CB-CD2 4.12Å; L102-L164 HydrophobicContact CB-CD2 4Å; L102-L164 HydrophobicContact CG-CD2 4.22Å; V112-L164 HydrophobicContact CG2-CD2 4.01Å; F162-L164 HydrophobicContact CD2-CD2 4.12Å; F162-L164 HydrophobicContact CD2-CG 4.2Å; F162-L164 HydrophobicContact CE2-CD1 4.32Å; F162-L164 HydrophobicContact CE2-CD2 3.91Å; F162-L164 HydrophobicContact CE2-CG 3.99Å; L164-K174 PolarHBondContact N-O 3.26Å; L164-K174 PolarHBondContact O-N 3.39Å; L164-I176 HydrophobicContact CD1-CD1 3.76Å; L164-I176 HydrophobicContact CG-CD1 4.41Å; L164-V219 HydrophobicContact CD1-CG1 4.41Å; L164-I221 HydrophobicContact CD1-CD1 3.78Å; L164-I221 HydrophobicContact CD1-CG1 4.34Å; L164-F229 HydrophobicContact CB-CE1 3.89Å; L164-F229 HydrophobicContact CB-CZ 4.14Å; L164-F229 HydrophobicContact CD1-CE1 4.19Å; L164-F229 HydrophobicContact CD1-CZ 3.94Å; L164-F249 HydrophobicContact CB-CE1 4.25Å; L164-F249 HydrophobicContact CB-CZ 4.07Å; L164-F249 HydrophobicContact CD1-CZ 4.35Å
165T94Very high87.8Confident1 Ų155.2 Ų55.21%0.00628%0.279CS..EExtended strand (participates in β ladder)trans-142.8155.7178.974.40000111.8K101 I103 R173K101-T165 PolarHBondContact N-O 3.43Å; K101-T165 PolarHBondContact O-N 3.28Å; K101-T165 PolarHBondContact O-OG1 2.89Å; I103-T165 HydrophobicContact CD1-CG2 3.49Å; I103-T165 VanDerWaalsContact CD1-CG2 3.49Å; I103-T165 HydrophobicContact CG1-CG2 4.12Å; T165-R173 HydrophobicContact CG2-CB 4.1Å; T165-R173 HydrophobicContact CG2-CG 3.56Å
166P93.1Very high89Confident8 Ų853.1 Ų53.15%0.05227%0.269CS..EExtended strand (participates in β ladder)trans-60.3145.5173.2-23.837.1000112.3A168 G170 K171 P172 I248 F249P166-A168 PolarHBondContact O-N 3.33Å; P166-G170 PolarHBondContact O-N 3.31Å; P166-K171 WeakPolarHBondContact CG-O 3.36Å; P166-P172 VanDerWaalsContact CD-O 3.28Å; P166-P172 WeakPolarHBondContact CD-O 3.46Å; P166-I248 WeakPolarHBondContact CG-O 3.13Å; P166-F249 HydrophobicContact CG-CD1 4.5Å
167V90.1Very high90Very high51 Ų5153.2 Ų53.231%0.30926%0.263SS..THydrogen-bonded Turntrans-62.8-42.9-176.3-178.90000111.5Q99 K101 L111Q99-V167 HydrophobicContact CB-CG2 4Å; Q99-V167 WeakPolarHBondContact O-CG2 3.43Å; K101-V167 WeakPolarHBondContact CE-O 3.32Å; K101-V167 PolarHBondContact NZ-O 3.19Å; L111-V167 HydrophobicContact CD1-CG1 4.14Å; L111-V167 HydrophobicContact CD1-CG2 3.65Å
168A82Confident90.5Very high92 Ų9253 Ų5376%0.7626%0.262SS*.THydrogen-bonded Turntrans-78-49.7-176.300000113.4P166P166-A168 PolarHBondContact O-N 3.33Å
169Q75.4Confident90.6Very high155 Ų15551.7 Ų51.772%0.72426%0.257SS*.THydrogen-bonded Turntrans-103.2-14.3-164.6-65.8176.90.100114.6K171Q169-K171 PolarHBondContact O-N 3.33Å
170G77.3Confident90.6Very high19 Ų1951.9 Ų51.920%0.19626%0.259CS..  trans62.72.5178.400000116.1P166 R173P166-G170 PolarHBondContact O-N 3.31Å; G170-R173 WeakPolarHBondContact O-CG 3.41Å; G170-R173 PolarHBondContact O-NE 3.45Å; G170-R173 VanDerWaalsContact O-NE 3.11Å
171K82.9Confident90.4Very high150 Ų15051.9 Ų51.965%0.65226%0.259SS*.  trans-141.5153171.7-72.7-176.5-179.1177.20108.5P166 Q169 R173P166-K171 WeakPolarHBondContact CG-O 3.36Å; Q169-K171 PolarHBondContact O-N 3.33Å; K171-R173 HydrophobicContact CG-CG 4.42Å
172P89Confident89.9Confident62 Ų6249.7 Ų49.740%0.40326%0.255SS..SBendcis-67.7158.9-5.229.8-34.2000111.8P166 I248P166-P172 VanDerWaalsContact CD-O 3.28Å; P166-P172 WeakPolarHBondContact CD-O 3.46Å; P172-I248 HydrophobicContact CG-CB 3.77Å; P172-I248 HydrophobicContact CG-CD1 4.2Å; P172-I248 HydrophobicContact CG-CG2 3.66Å
173R89Confident89.3Confident139 Ų13951 Ų5153%0.52526%0.261SS..  trans-109123.8-178.8-63.5-152178163.81.1109C163 T165 G170 K171C163-R173 VanDerWaalsContact SG-CB 3.6Å; T165-R173 HydrophobicContact CG2-CB 4.1Å; T165-R173 HydrophobicContact CG2-CG 3.56Å; G170-R173 WeakPolarHBondContact O-CG 3.41Å; G170-R173 PolarHBondContact O-NE 3.45Å; G170-R173 VanDerWaalsContact O-NE 3.11Å; K171-R173 HydrophobicContact CG-CG 4.42Å
174K93.4Very high88.7Confident67 Ų6750.9 Ų50.929%0.29126%0.26SS..EExtended strand (participates in β ladder)trans-120.5123.6179.9-67.5-69.6-171.2149.30109.8C163 L164 D228 F229 I248C163-K174 CarbonylContact C-O 3.56Å; C163-K174 VanDerWaalsContact CA-O 3.31Å; C163-K174 WeakPolarHBondContact CA-O 3.45Å; L164-K174 PolarHBondContact N-O 3.26Å; L164-K174 PolarHBondContact O-N 3.39Å; K174-D228 HydrophobicContact CD-CB 4.38Å; K174-D228 WeakPolarHBondContact CE-O 3.44Å; K174-D228 PolarHBondContact NZ-O 2.83Å; K174-D228 IonicContact NZ-OD1 3.68Å; K174-F229 HydrophobicContact CB-CD1 4.38Å; K174-F229 HydrophobicContact CB-CE1 3.5Å; K174-F229 HydrophobicContact CB-CE2 4.38Å; K174-F229 HydrophobicContact CB-CZ 3.5Å; K174-F229 VanDerWaalsContact CB-CZ 3.5Å; K174-F229 HydrophobicContact CG-CD1 4.37Å; K174-F229 HydrophobicContact CG-CE1 3.95Å; K174-F229 HydrophobicContact CG-CZ 4.27Å; K174-I248 HydrophobicContact CG-CD1 3.84Å
175W93.9Very high87.9Confident128 Ų12851.2 Ų51.249%0.48526%0.262SS..EExtended strand (participates in β ladder)trans-89.7131.4175.9-76.585.4000109.3P105 F162 C163P105-W175 HydrophobicContact CB-CH2 4.12Å; P105-W175 HydrophobicContact CG-CH2 3.81Å; P105-W175 HydrophobicContact CG-CZ3 3.92Å; F162-W175 VanDerWaalsContact C-CE3 3.5Å; F162-W175 WeakPolarHBondContact O-CA 3.19Å; C163-W175 HydrophobicContact CB-CD2 3.83Å; C163-W175 HydrophobicContact CB-CE3 4.19Å; C163-W175 HydrophobicContact CB-CG 4.25Å; C163-W175 HydrophobicContact CB-CH2 4.29Å; C163-W175 HydrophobicContact CB-CZ2 3.96Å; C163-W175 HydrophobicContact CB-CZ3 4.41Å
176I94.6Very high87Confident3 Ų352.5 Ų52.52%0.01528%0.275CS..EExtended strand (participates in β ladder)trans-127.6150175.767.4172000110.3E161 F162 L164 V219 Y225 F229E161-I176 WeakPolarHBondContact CA-O 3.35Å; F162-I176 HydrophobicContact CD2-CD1 4.47Å; F162-I176 HydrophobicContact CD2-CG1 4.05Å; F162-I176 HydrophobicContact CE2-CD1 3.6Å; F162-I176 HydrophobicContact CE2-CG1 3.64Å; F162-I176 HydrophobicContact CZ-CD1 3.78Å; F162-I176 HydrophobicContact CZ-CG1 3.93Å; F162-I176 PolarHBondContact N-O 2.87Å; F162-I176 VanDerWaalsContact N-O 3.07Å; F162-I176 PolarHBondContact O-N 2.92Å; L164-I176 HydrophobicContact CD1-CD1 3.76Å; L164-I176 HydrophobicContact CG-CD1 4.41Å; I176-V219 HydrophobicContact CD1-CG1 4.2Å; I176-Y225 HydrophobicContact CB-CD1 4.22Å; I176-Y225 HydrophobicContact CB-CD2 3.93Å; I176-Y225 HydrophobicContact CB-CE1 4.23Å; I176-Y225 HydrophobicContact CB-CE2 3.95Å; I176-Y225 HydrophobicContact CB-CG 4.06Å; I176-Y225 HydrophobicContact CG2-CD1 3.64Å; I176-Y225 HydrophobicContact CG2-CD2 3.99Å; I176-Y225 HydrophobicContact CG2-CE1 4.06Å; I176-Y225 HydrophobicContact CG2-CE2 4.39Å; I176-Y225 HydrophobicContact CG2-CG 3.59Å; I176-F229 HydrophobicContact CG2-CE2 3.65Å; I176-F229 HydrophobicContact CG2-CZ 3.69Å
177K94.7Very high86.4Confident75 Ų7555.2 Ų55.233%0.32629%0.293SS..EExtended strand (participates in β ladder)trans-102.1125.6168.5-172.7177168.6-170.40107.6E140 S159 V160 E161 Y225E140-K177 WeakPolarHBondContact OE1-CE 3.42Å; E140-K177 IonicContact OE1-NZ 3.29Å; E140-K177 PolarHBondContact OE1-NZ 3.02Å; S159-K177 WeakPolarHBondContact OG-CE 3.5Å; V160-K177 CarbonylContact O-C 3.57Å; V160-K177 WeakPolarHBondContact O-CA 3.19Å; E161-K177 HydrophobicContact CG-CB 3.96Å; E161-K177 HydrophobicContact CG-CG 4.02Å; K177-Y225 PolarHBondContact N-OH 2.97Å; K177-Y225 VanDerWaalsContact N-OH 3.15Å; K177-Y225 WeakPolarHBondContact O-CE2 3.35Å
178A94.7Very high86Confident1 Ų153.4 Ų53.41%0.00828%0.282CS..EExtended strand (participates in β ladder)trans-135.7149.5-175.700000111.8S123 V125 V160 F162S123-A178 VanDerWaalsContact O-CA 3.27Å; S123-A178 WeakPolarHBondContact O-CA 3.39Å; V125-A178 HydrophobicContact CB-CB 4.36Å; V125-A178 HydrophobicContact CG1-CB 4.23Å; V160-A178 WeakPolarHBondContact CG2-O 3.25Å; V160-A178 PolarHBondContact N-O 3.49Å; V160-A178 PolarHBondContact O-N 2.93Å; F162-A178 HydrophobicContact CE1-CB 3.78Å; F162-A178 HydrophobicContact CZ-CB 3.97Å
179L93.7Very high85.7Confident7 Ų753 Ų534%0.03727%0.266CS..EExtended strand (participates in β ladder)trans-88.6130.6179.5-64.8163.9000110.5R122 S123 F124 V125 I142 A157 V181R122-L179 HydrophobicContact CB-CD1 4.34Å; R122-L179 HydrophobicContact CG-CD1 4.43Å; S123-L179 PolarHBondContact O-N 3.4Å; F124-L179 WeakPolarHBondContact CA-O 3.38Å; F124-L179 HydrophobicContact CD1-CB 3.76Å; F124-L179 HydrophobicContact CE1-CB 4Å; F124-L179 HydrophobicContact CE1-CD1 4.15Å; V125-L179 PolarHBondContact N-O 3.34Å; I142-L179 HydrophobicContact CD1-CD1 3.97Å; I142-L179 HydrophobicContact CG2-CD1 4.03Å; I142-L179 HydrophobicContact CG2-CD2 4.36Å; A157-L179 HydrophobicContact CB-CB 4.18Å; A157-L179 HydrophobicContact CB-CD2 4.08Å; L179-V181 PolarHBondContact O-N 2.9Å
180C92.8Very high85.8Confident8 Ų847.3 Ų47.35%0.05425%0.246CC..EExtended strand (participates in β ladder)trans-74.9118.9177.2-66.30000110.9V125 K127 A130 R158V125-C180 WeakPolarHBondContact O-CA 3.47Å; K127-C180 HydrophobicContact CB-CB 4.31Å; K127-C180 HydrophobicContact CG-CB 4.34Å; A130-C180 WeakPolarHBondContact CB-SG 3.35Å; R158-C180 HydrophobicContact CB-CB 4.18Å; R158-C180 WeakPolarHBondContact O-CB 3.4Å; R158-C180 PolarHBondContact O-N 3.43Å; R158-C180 PolarHBondContact O-SG 3.26Å; R158-C180 VanDerWaalsContact O-SG 3.34Å
181V88.6Confident86.1Confident2 Ų247 Ų471%0.01224%0.24CC..EExtended strand (participates in β ladder)trans-126.1145175.5-69.20000110.8L81 F124 V125 R126 K127 I144 L179 Q183 I184L81-V181 HydrophobicContact CD2-CB 3.7Å; L81-V181 HydrophobicContact CD2-CG1 3.67Å; L81-V181 HydrophobicContact CD2-CG2 4.28Å; F124-V181 HydrophobicContact CB-CG2 4.04Å; F124-V181 HydrophobicContact CD1-CB 4.49Å; F124-V181 HydrophobicContact CD1-CG1 3.59Å; F124-V181 HydrophobicContact CD1-CG2 4.06Å; F124-V181 HydrophobicContact CE1-CG1 3.88Å; F124-V181 HydrophobicContact CG-CG2 4.39Å; V125-V181 PolarHBondContact O-N 3.48Å; R126-V181 CarbonylContact C-O 3.59Å; R126-V181 WeakPolarHBondContact CA-O 3.47Å; K127-V181 WeakPolarHBondContact CB-O 3.3Å; K127-V181 PolarHBondContact N-O 3.38Å; I144-V181 HydrophobicContact CD1-CG1 4.41Å; L179-V181 PolarHBondContact O-N 2.9Å; V181-Q183 PolarHBondContact O-N 3.36Å; V181-I184 HydrophobicContact CG2-CG1 3.9Å
182P83.9Confident86Confident73 Ų7341.4 Ų41.447%0.47422%0.219SC..SBendtrans-56.9-38.9-176.8-23.733.2000113.3R126R126-P182 VanDerWaalsContact CG-O 3.24Å; R126-P182 WeakPolarHBondContact CG-O 3.09Å
183Q81Confident85.7Confident26 Ų2642.7 Ų42.712%0.12123%0.228CC..  trans-146.5144.6177.7-172.3178.316.200108.3E80 V181 C185E80-Q183 VanDerWaalsContact CB-OE1 3.28Å; E80-Q183 VanDerWaalsContact CD-OE1 3.29Å; E80-Q183 VanDerWaalsContact CG-OE1 3.24Å; E80-Q183 PolarHBondContact OE2-OE1 3.39Å; V181-Q183 PolarHBondContact O-N 3.36Å; Q183-C185 WeakPolarHBondContact CG-O 3.22Å; Q183-C185 PolarHBondContact NE2-O 2.93Å
184I83.6Confident85.5Confident1 Ų138.3 Ų38.31%0.00521%0.212CC..SBendtrans-89.5-61.1177.9-66175.2000108.9I83 F124 V181 V217 D218 L220I83-I184 WeakPolarHBondContact CB-O 3.15Å; I83-I184 HydrophobicContact CD1-CG2 3.8Å; I83-I184 WeakPolarHBondContact CD1-O 3.39Å; I83-I184 WeakPolarHBondContact CG1-O 3.38Å; I83-I184 PolarHBondContact N-O 2.76Å; F124-I184 HydrophobicContact CB-CG1 4.43Å; V181-I184 HydrophobicContact CG2-CG1 3.9Å; I184-V217 HydrophobicContact CD1-CG1 4.06Å; I184-V217 HydrophobicContact CG2-CB 4.45Å; I184-V217 HydrophobicContact CG2-CG1 4.15Å; I184-D218 WeakPolarHBondContact CD1-O 3.44Å; I184-L220 HydrophobicContact CD1-CB 4.23Å; I184-L220 HydrophobicContact CG2-CB 3.73Å; I184-L220 HydrophobicContact CG2-CD1 3.72Å; I184-L220 HydrophobicContact CG2-CG 4.36Å
185C78.6Confident85Confident8 Ų836.5 Ų36.55%0.05421%0.208CC..SBendtrans-145.8177175.4610000109.7Q183 L268Q183-C185 WeakPolarHBondContact CG-O 3.22Å; Q183-C185 PolarHBondContact NE2-O 2.93Å; C185-L268 HydrophobicContact CB-CD2 4.18Å
186G75.6Confident84.4Confident27 Ų2739.2 Ų39.228%0.27822%0.223SC..SBendtrans-58161.616600000111.6L188G186-L188 PolarHBondContact O-N 3.33Å
187P79.6Confident83.8Confident66 Ų6645.6 Ų45.643%0.42926%0.255SS..PPolyproline II helixtrans-55.2137.4177.3-21.631.9000111.2D189 T214 E216P187-D189 PolarHBondContact O-N 2.88Å; P187-T214 HydrophobicContact CB-CG2 3.52Å; P187-E216 HydrophobicContact CB-CG 4.43Å; P187-E216 HydrophobicContact CG-CG 4.33Å
188L81.1Confident83.4Confident13 Ų1342.6 Ų42.67%0.06824%0.241CC..BIsolated β-bridgetrans-68.9126.4172.8-63.6169.7000109L95 T97 M113 G186 R212 T214 K215 V217L95-L188 HydrophobicContact CD1-CD2 4.05Å; T97-L188 HydrophobicContact CG2-CD1 3.57Å; M113-L188 HydrophobicContact CG-CD1 4.29Å; G186-L188 PolarHBondContact O-N 3.33Å; L188-R212 PolarHBondContact O-NH1 3.45Å; L188-R212 VanDerWaalsContact O-NH1 3.13Å; L188-T214 CarbonylContact O-C 3.46Å; L188-T214 VanDerWaalsContact O-CA 3.23Å; L188-T214 WeakPolarHBondContact O-CA 3.25Å; L188-T214 WeakPolarHBondContact O-CG2 3.27Å; L188-K215 WeakPolarHBondContact CB-O 3.38Å; L188-K215 PolarHBondContact N-O 3.06Å; L188-K215 PolarHBondContact O-N 3.41Å; L188-V217 HydrophobicContact CD1-CG2 3.54Å; L188-V217 HydrophobicContact CD2-CG2 4.01Å; L188-V217 HydrophobicContact CG-CG2 3.56Å
189D77Confident83Confident82 Ų8251.3 Ų51.344%0.43928%0.279SS..PPolyproline II helixtrans-53.6156.4174-61.4-46.1000111.8P187 N191 R212P187-D189 PolarHBondContact O-N 2.88Å; D189-N191 PolarHBondContact O-N 3.35Å; D189-R212 PolarHBondContact O-NH2 3.19Å
190A76.2Confident82.9Confident36 Ų3652.7 Ų52.730%0.29829%0.285SS..PPolyproline II helixtrans-58.7137.7174.700000110.7K92 R212K92-A190 WeakPolarHBondContact CE-O 3.17Å; K92-A190 PolarHBondContact NZ-O 2.86Å; A190-R212 CarbonylContact C-O 3.59Å; A190-R212 WeakPolarHBondContact CA-O 3.35Å; A190-R212 WeakPolarHBondContact CB-O 3.23Å
191N83.2Confident82.8Confident14 Ų1452.6 Ų52.68%0.07528%0.284CS..BIsolated β-bridgetrans-91.3153.4174.370.520.3000110.3D189 Q209 F210 P211 R212D189-N191 PolarHBondContact O-N 3.35Å; N191-Q209 PolarHBondContact ND2-O 3.36Å; N191-Q209 PolarHBondContact OD1-O 2.95Å; N191-F210 HydrophobicContact CB-CD1 4.13Å; N191-F210 HydrophobicContact CB-CE1 3.78Å; N191-F210 VanDerWaalsContact ND2-CE1 3.32Å; N191-F210 WeakPolarHBondContact ND2-CE1 3.31Å; N191-F210 WeakPolarHBondContact ND2-CZ 3.44Å; N191-P211 VanDerWaalsContact OD1-CA 3.32Å; N191-P211 WeakPolarHBondContact OD1-CA 3.35Å; N191-R212 PolarHBondContact N-O 2.98Å; N191-R212 PolarHBondContact OD1-N 3.19Å
192P80.6Confident82.6Confident32 Ų3253.5 Ų53.521%0.20829%0.29CS..PPolyproline II helixtrans-70.3162.7-178.629.1-35.1000112I94 W198 F210 T257I94-P192 HydrophobicContact CD1-CG 4.46Å; P192-W198 HydrophobicContact CG-CH2 4.21Å; P192-F210 WeakPolarHBondContact O-CD1 3.47Å; P192-T257 HydrophobicContact CG-CG2 4.26Å
193P83.2Confident82.5Confident89 Ų8956.3 Ų56.358%0.57830%0.295SS*.PPolyproline II helixtrans-57.3148.8167.7-20.732.1000111.6S195 P211P193-S195 PolarHBondContact O-N 3.49Å; P193-S195 VanDerWaalsContact O-N 3.12Å; P193-P211 HydrophobicContact CG-CB 4.37Å; P193-P211 HydrophobicContact CG-CG 4.49Å
194F84.9Confident82.7Confident46 Ų4664.5 Ų64.520%0.20233%0.326CS..PPolyproline II helixtrans-62.6116175.9-171.2-81000110.5W198 L201 K203 L206 F210 L253F194-W198 HydrophobicContact CD1-CE3 4.43Å; F194-W198 AromaticContact CD2-CE3 3.9Å; F194-W198 HydrophobicContact CD2-CE3 3.9Å; F194-W198 HydrophobicContact CD2-CZ3 4.12Å; F194-W198 HydrophobicContact CE1-CB 4.47Å; F194-W198 HydrophobicContact CE2-CE3 4.03Å; F194-W198 HydrophobicContact CG-CE3 4.12Å; F194-W198 HydrophobicContact CG-CZ3 4.33Å; F194-W198 HydrophobicContact CZ-CB 4.35Å; F194-W198 HydrophobicContact CZ-CE3 4.34Å; F194-L201 HydrophobicContact CE2-CB 4.29Å; F194-L201 HydrophobicContact CZ-CB 4.02Å; F194-K203 HydrophobicContact CE1-CG 3.87Å; F194-K203 HydrophobicContact CZ-CG 4.2Å; F194-L206 HydrophobicContact CD2-CD1 3.78Å; F194-L206 HydrophobicContact CE2-CD1 4.1Å; F194-L206 HydrophobicContact CE2-CD2 4.4Å; F194-F210 HydrophobicContact CB-CB 4.1Å; F194-L253 HydrophobicContact CD2-CD1 3.9Å; F194-L253 HydrophobicContact CE2-CD1 3.81Å
195S83.1Confident83Confident29 Ų2969.4 Ų69.420%0.20335%0.352CS..PPolyproline II helixtrans-74.7135.9-176.7-178.30000111.8P193 M197 W198P193-S195 PolarHBondContact O-N 3.49Å; P193-S195 VanDerWaalsContact O-N 3.12Å; S195-M197 PolarHBondContact O-N 3.26Å; S195-M197 VanDerWaalsContact O-N 3.15Å; S195-M197 WeakPolarHBondContact OG-CB 3.35Å; S195-M197 PolarHBondContact OG-N 3.09Å; S195-W198 VanDerWaalsContact CB-CE2 3.47Å; S195-W198 PolarHBondContact O-N 3.21Å
196K81.2Confident83.6Confident185 Ų18570.9 Ų70.980%0.80436%0.36SS*.THydrogen-bonded Turntrans-62.5-17.7171.5-69.5-178-179.11770112.8
197M81.9Confident84.4Confident137 Ų13769.9 Ų69.968%0.67535%0.348SS*.THydrogen-bonded Turntrans-75.6-23.1178.9-60.2-171.8-66.600112.9S195 K199S195-M197 PolarHBondContact O-N 3.26Å; S195-M197 VanDerWaalsContact O-N 3.15Å; S195-M197 WeakPolarHBondContact OG-CB 3.35Å; S195-M197 PolarHBondContact OG-N 3.09Å; M197-K199 PolarHBondContact O-N 3.43Å
198W87.6Confident84.9Confident12 Ų1267 Ų675%0.04533%0.329CS..  trans-77.257.1-179.1-56.9-20.8000112.5P192 F194 S195 H200 L201 P242 L253 T257P192-W198 HydrophobicContact CG-CH2 4.21Å; F194-W198 HydrophobicContact CD1-CE3 4.43Å; F194-W198 AromaticContact CD2-CE3 3.9Å; F194-W198 HydrophobicContact CD2-CE3 3.9Å; F194-W198 HydrophobicContact CD2-CZ3 4.12Å; F194-W198 HydrophobicContact CE1-CB 4.47Å; F194-W198 HydrophobicContact CE2-CE3 4.03Å; F194-W198 HydrophobicContact CG-CE3 4.12Å; F194-W198 HydrophobicContact CG-CZ3 4.33Å; F194-W198 HydrophobicContact CZ-CB 4.35Å; F194-W198 HydrophobicContact CZ-CE3 4.34Å; S195-W198 VanDerWaalsContact CB-CE2 3.47Å; S195-W198 PolarHBondContact O-N 3.21Å; W198-H200 VanDerWaalsContact C-N 3.26Å; W198-H200 PolarHBondContact O-N 3.48Å; W198-L201 HydrophobicContact CB-CB 4.23Å; W198-L201 HydrophobicContact CB-CD1 3.92Å; W198-L201 HydrophobicContact CB-CG 4.22Å; W198-L201 HydrophobicContact CD2-CD1 4.34Å; W198-L201 HydrophobicContact CE3-CD1 4.29Å; W198-L201 HydrophobicContact CG-CD1 4.21Å; W198-L201 PolarHBondContact O-N 3.2Å; W198-P242 HydrophobicContact CD2-CG 3.67Å; W198-P242 VanDerWaalsContact CE2-CG 3.47Å; W198-P242 HydrophobicContact CE3-CG 4.15Å; W198-P242 HydrophobicContact CG-CG 4.08Å; W198-P242 HydrophobicContact CH2-CG 4.28Å; W198-P242 HydrophobicContact CZ2-CG 3.82Å; W198-P242 HydrophobicContact CZ3-CG 4.42Å; W198-L253 HydrophobicContact CZ3-CD1 4.46Å; W198-T257 HydrophobicContact CH2-CG2 4.44Å; W198-T257 HydrophobicContact CZ2-CG2 4.18Å
199K85.2Confident85.3Confident184 Ų18471.6 Ų71.680%0.835%0.35SS*.THydrogen-bonded Turntrans-64.9-26.8-172.4-65.4-178.9-176.7176.40113.3M197 L201M197-K199 PolarHBondContact O-N 3.43Å; K199-L201 VanDerWaalsContact C-N 3.27Å
200H91.2Very high85.7Confident36 Ų3669.1 Ų69.117%0.16734%0.336CS..THydrogen-bonded Turntrans-72.9-20.3175.262.6-62.2000112.8W198 R235 N237 E241 P242W198-H200 VanDerWaalsContact C-N 3.26Å; W198-H200 PolarHBondContact O-N 3.48Å; H200-R235 WeakPolarHBondContact O-CD 3.42Å; H200-N237 HydrophobicContact CB-CB 4.17Å; H200-E241 IonicContact CE1-OE2 3.31Å; H200-E241 PolarHBondContact CE1-OE2 3.34Å; H200-E241 IonicContact ND1-OE2 3.05Å; H200-E241 PolarHBondContact ND1-OE2 2.9Å; H200-E241 IonicContact NE2-OE2 2.7Å; H200-P242 PolarHBondContact NE2-O 3.36Å
201L91Very high86.2Confident6 Ų671.3 Ų71.33%0.03135%0.347CS..SBendtrans-90.6139.3-178.6-61.1-178.6000111.3F194 W198 K199 K203 R235 P242 L253F194-L201 HydrophobicContact CE2-CB 4.29Å; F194-L201 HydrophobicContact CZ-CB 4.02Å; W198-L201 HydrophobicContact CB-CB 4.23Å; W198-L201 HydrophobicContact CB-CD1 3.92Å; W198-L201 HydrophobicContact CB-CG 4.22Å; W198-L201 HydrophobicContact CD2-CD1 4.34Å; W198-L201 HydrophobicContact CE3-CD1 4.29Å; W198-L201 HydrophobicContact CG-CD1 4.21Å; W198-L201 PolarHBondContact O-N 3.2Å; K199-L201 VanDerWaalsContact C-N 3.27Å; L201-K203 PolarHBondContact O-N 3.46Å; L201-R235 HydrophobicContact CD2-CB 4.44Å; L201-P242 HydrophobicContact CD1-CB 4.19Å; L201-P242 HydrophobicContact CD1-CG 3.77Å; L201-L253 HydrophobicContact CB-CD2 4.35Å; L201-L253 HydrophobicContact CD1-CD1 4.4Å; L201-L253 HydrophobicContact CD1-CD2 3.72Å; L201-L253 HydrophobicContact CD2-CD2 4.08Å; L201-L253 HydrophobicContact CG-CD2 4.27Å
202P85.3Confident86.5Confident21 Ų2171.6 Ų71.614%0.13635%0.347CS..  trans-68.8134.1177.125.5-27.7000110.5Y204 L206 W251P202-Y204 VanDerWaalsContact C-N 3.33Å; P202-L206 VanDerWaalsContact O-CD2 3.31Å; P202-L206 WeakPolarHBondContact O-CD2 3.34Å; P202-W251 HydrophobicContact CB-CG 4.32Å; P202-W251 HydrophobicContact CG-CB 3.7Å; P202-W251 HydrophobicContact CG-CD2 3.4Å; P202-W251 VanDerWaalsContact CG-CD2 3.4Å; P202-W251 HydrophobicContact CG-CE3 4.09Å; P202-W251 HydrophobicContact CG-CG 3.17Å
203K81.8Confident86.7Confident132 Ų13272.4 Ų72.457%0.57436%0.361SS*.SBendtrans-78.1-17.8179.1-65.5179.8179.8175.40113.7F194 L201F194-K203 HydrophobicContact CE1-CG 3.87Å; F194-K203 HydrophobicContact CZ-CG 4.2Å; L201-K203 PolarHBondContact O-N 3.46Å
204Y84.1Confident86.6Confident198 Ų19872.7 Ų72.778%0.77636%0.361SS*.SBendtrans-122.2159.9-175.5-51.9-76000110.5P202 L206P202-Y204 VanDerWaalsContact C-N 3.33Å; Y204-L206 VanDerWaalsContact C-N 3.35Å; Y204-L206 PolarHBondContact O-N 3.48Å
205N89.6Confident86.7Confident104 Ų10473.9 Ų73.956%0.55637%0.366SS*.SBendtrans58.542.7-178.9-16641000113G250 W251N205-G250 CarbonylContact O-C 3.55Å; N205-G250 WeakPolarHBondContact O-CA 3.21Å; N205-W251 PolarHBondContact O-N 3.42Å
206L92.3Very high87Confident40 Ų4076.9 Ų76.921%0.20938%0.377CS..BIsolated β-bridgetrans-74.5145.7171.1-62.3179.4000110.3F194 P202 Y204 D208 F210 W251 L253F194-L206 HydrophobicContact CD2-CD1 3.78Å; F194-L206 HydrophobicContact CE2-CD1 4.1Å; F194-L206 HydrophobicContact CE2-CD2 4.4Å; P202-L206 VanDerWaalsContact O-CD2 3.31Å; P202-L206 WeakPolarHBondContact O-CD2 3.34Å; Y204-L206 VanDerWaalsContact C-N 3.35Å; Y204-L206 PolarHBondContact O-N 3.48Å; L206-D208 VanDerWaalsContact C-N 3.34Å; L206-D208 WeakPolarHBondContact CB-O 3.33Å; L206-F210 HydrophobicContact CD1-CD2 3.98Å; L206-W251 WeakPolarHBondContact CA-O 3.42Å; L206-W251 HydrophobicContact CD2-CB 4.1Å; L206-L253 HydrophobicContact CD1-CD1 4.23Å; L206-L253 HydrophobicContact CD2-CD1 3.95Å; L206-L253 HydrophobicContact CD2-CD2 4.06Å; L206-L253 HydrophobicContact CD2-CG 3.99Å
207S92.1Very high87.5Confident5 Ų568.3 Ų68.34%0.03534%0.34CS..SBendtrans-72.1-28178.763.30000112.9T97 A98 Q99 W251 I252T97-S207 PolarHBondContact O-OG 3.35Å; A98-S207 CarbonylContact C-O 3.59Å; A98-S207 WeakPolarHBondContact CA-O 3.19Å; Q99-S207 PolarHBondContact N-O 3.16Å; S207-W251 PolarHBondContact N-O 3.02Å; S207-W251 PolarHBondContact OG-O 3.27Å; S207-I252 VanDerWaalsContact OG-CA 3.27Å; S207-I252 WeakPolarHBondContact OG-CA 3.29Å; S207-I252 WeakPolarHBondContact OG-CG1 3.48Å
208D91.3Very high88.2Confident7 Ų762.6 Ų62.64%0.03731%0.313CS..SBendtrans-125.5165.1176.6-163.15.1000110.3T97 M113 L206 F210 R212T97-D208 PolarHBondContact OG1-OD2 3.36Å; M113-D208 WeakPolarHBondContact CE-OD1 3.33Å; L206-D208 VanDerWaalsContact C-N 3.34Å; L206-D208 WeakPolarHBondContact CB-O 3.33Å; D208-F210 HydrophobicContact CB-CE2 4Å; D208-F210 WeakPolarHBondContact O-CD2 3.31Å; D208-R212 IonicContact OD2-NE 3.43Å; D208-R212 PolarHBondContact OD2-NE 3.43Å
209Q88.4Confident88.6Confident109 Ų10962 Ų6251%0.50931%0.31SS..  trans-80.6140.2176.2-68.3174.44.300110.3N191 R212N191-Q209 PolarHBondContact ND2-O 3.36Å; N191-Q209 PolarHBondContact OD1-O 2.95Å; Q209-R212 HydrophobicContact CB-CB 4.39Å; Q209-R212 WeakPolarHBondContact O-CB 3.47Å
210F86.3Confident89.1Confident29 Ų2953.3 Ų53.313%0.12727%0.272CS..SBendtrans-134.2108.1176.1-75.7-94.8000109.3I94 N191 P192 F194 L206 D208 L253I94-F210 HydrophobicContact CD1-CE1 3.85Å; I94-F210 HydrophobicContact CD1-CZ 4.47Å; I94-F210 HydrophobicContact CG2-CE1 4.45Å; I94-F210 HydrophobicContact CG2-CZ 4.24Å; N191-F210 HydrophobicContact CB-CD1 4.13Å; N191-F210 HydrophobicContact CB-CE1 3.78Å; N191-F210 VanDerWaalsContact ND2-CE1 3.32Å; N191-F210 WeakPolarHBondContact ND2-CE1 3.31Å; N191-F210 WeakPolarHBondContact ND2-CZ 3.44Å; P192-F210 WeakPolarHBondContact O-CD1 3.47Å; F194-F210 HydrophobicContact CB-CB 4.1Å; L206-F210 HydrophobicContact CD1-CD2 3.98Å; D208-F210 HydrophobicContact CB-CE2 4Å; D208-F210 WeakPolarHBondContact O-CD2 3.31Å; F210-L253 HydrophobicContact CD2-CD1 4.18Å; F210-L253 HydrophobicContact CE1-CD1 4.42Å; F210-L253 HydrophobicContact CE2-CB 4.25Å; F210-L253 HydrophobicContact CE2-CD1 3.98Å; F210-L253 HydrophobicContact CE2-CG 4.26Å; F210-L253 HydrophobicContact CG-CD1 4.49Å; F210-L253 HydrophobicContact CZ-CB 3.92Å; F210-L253 HydrophobicContact CZ-CD1 4.12Å; F210-L253 HydrophobicContact CZ-CG 4.38Å
211P86.7Confident89.4Confident83 Ų8351.6 Ų51.654%0.53926%0.264SS..SBendcis-80.31573.533-34.2000113.8N191 P193N191-P211 VanDerWaalsContact OD1-CA 3.32Å; N191-P211 WeakPolarHBondContact OD1-CA 3.35Å; P193-P211 HydrophobicContact CG-CB 4.37Å; P193-P211 HydrophobicContact CG-CG 4.49Å
212R88Confident89.4Confident20 Ų2051.3 Ų51.38%0.07526%0.263CS..BIsolated β-bridgetrans-129.3134.1171.4-178.5-161.849.889-4.5107.9L188 D189 A190 N191 D208 Q209 K215L188-R212 PolarHBondContact O-NH1 3.45Å; L188-R212 VanDerWaalsContact O-NH1 3.13Å; D189-R212 PolarHBondContact O-NH2 3.19Å; A190-R212 CarbonylContact C-O 3.59Å; A190-R212 WeakPolarHBondContact CA-O 3.35Å; A190-R212 WeakPolarHBondContact CB-O 3.23Å; N191-R212 PolarHBondContact N-O 2.98Å; N191-R212 PolarHBondContact OD1-N 3.19Å; D208-R212 IonicContact OD2-NE 3.43Å; D208-R212 PolarHBondContact OD2-NE 3.43Å; Q209-R212 HydrophobicContact CB-CB 4.39Å; Q209-R212 WeakPolarHBondContact O-CB 3.47Å; R212-K215 VanDerWaalsContact NH1-N 3.14Å
213G85.2Confident89.6Confident49 Ų4952 Ų5251%0.50527%0.27SS..  trans-70.1177.7169.700000113.2K215G213-K215 PolarHBondContact O-N 3.4Å
214T82.2Confident90.1Very high94 Ų9447.9 Ų47.958%0.57726%0.255SS*.  trans-56.3134.2176.4-54.20000111.2P187 L188P187-T214 HydrophobicContact CB-CG2 3.52Å; L188-T214 CarbonylContact O-C 3.46Å; L188-T214 VanDerWaalsContact O-CA 3.23Å; L188-T214 WeakPolarHBondContact O-CA 3.25Å; L188-T214 WeakPolarHBondContact O-CG2 3.27Å
215K86.3Confident90.7Very high71 Ų7141.2 Ų41.231%0.30923%0.229SC..BIsolated β-bridgetrans-149.9139.3-174.2-163.9162.2176177.80111.7M113 L188 R212 G213M113-K215 HydrophobicContact CE-CD 3.72Å; L188-K215 WeakPolarHBondContact CB-O 3.38Å; L188-K215 PolarHBondContact N-O 3.06Å; L188-K215 PolarHBondContact O-N 3.41Å; R212-K215 VanDerWaalsContact NH1-N 3.14Å; G213-K215 PolarHBondContact O-N 3.4Å
216E90.4Very high90.9Very high93 Ų9337.1 Ų37.144%0.43521%0.206SC..  trans-73.1150.9175.2-65.2-171.7171.600112.1M113 R126 P187M113-E216 WeakPolarHBondContact CB-O 3.27Å; R126-E216 IonicContact CZ-OE2 3.36Å; R126-E216 IonicContact NH1-OE2 2.97Å; R126-E216 PolarHBondContact NH1-OE2 3.37Å; P187-E216 HydrophobicContact CB-CG 4.43Å; P187-E216 HydrophobicContact CG-CG 4.33Å
217V91.9Very high91Very high4 Ų443.1 Ų43.12%0.02423%0.226CC..  trans-86.1124.3172.1-178.40000109L115 I184 L188 V219L115-V217 HydrophobicContact CB-CG1 3.63Å; L115-V217 HydrophobicContact CB-CG2 4.06Å; I184-V217 HydrophobicContact CD1-CG1 4.06Å; I184-V217 HydrophobicContact CG2-CB 4.45Å; I184-V217 HydrophobicContact CG2-CG1 4.15Å; L188-V217 HydrophobicContact CD1-CG2 3.54Å; L188-V217 HydrophobicContact CD2-CG2 4.01Å; L188-V217 HydrophobicContact CG-CG2 3.56Å; V217-V219 VanDerWaalsContact CG1-O 3.26Å; V217-V219 WeakPolarHBondContact CG1-O 3.47Å
218D95.9Very high91.1Very high18 Ų1846.3 Ų46.310%0.09624%0.243CC..SBendtrans-89.7-36.4179.1-67.9-54.5000111.7V112 M113 R126 L129 I184V112-D218 WeakPolarHBondContact CA-OD2 3.28Å; V112-D218 HydrophobicContact CB-CB 3.81Å; V112-D218 HydrophobicContact CG1-CB 4.21Å; M113-D218 PolarHBondContact N-OD2 2.99Å; M113-D218 WeakPolarHBondContact O-CB 3.35Å; M113-D218 PolarHBondContact O-N 3.47Å; R126-D218 IonicContact CZ-OD1 2.7Å; R126-D218 VanDerWaalsContact CZ-OD1 3.26Å; R126-D218 PolarHBondContact N-O 3.36Å; R126-D218 IonicContact NH1-OD1 2.79Å; R126-D218 PolarHBondContact NH1-OD1 2.91Å; R126-D218 IonicContact NH2-OD1 3.85Å; R126-D218 PolarHBondContact NH2-OD1 3.32Å; L129-D218 HydrophobicContact CD2-CB 3.72Å; I184-D218 WeakPolarHBondContact CD1-O 3.44Å
219V96.5Very high91.2Very high0 Ų046 Ų460%024%0.242CC..EExtended strand (participates in β ladder)trans-137.4131.7-177.1-178.50000110.1L102 V112 M113 C114 L115 F124 V125 F162 L164 I176 V217 I221L102-V219 HydrophobicContact CD1-CG2 4.34Å; V112-V219 HydrophobicContact CB-CG2 4.4Å; V112-V219 HydrophobicContact CG2-CG2 4.26Å; M113-V219 PolarHBondContact O-N 3.25Å; C114-V219 CarbonylContact C-O 3.48Å; C114-V219 VanDerWaalsContact CA-O 3.23Å; C114-V219 WeakPolarHBondContact CA-O 3.14Å; L115-V219 PolarHBondContact N-O 3.31Å; F124-V219 CarbonylContact O-C 3.59Å; F124-V219 WeakPolarHBondContact O-CA 3.35Å; V125-V219 HydrophobicContact CG2-CG2 4.15Å; F162-V219 HydrophobicContact CE2-CG1 4.24Å; F162-V219 HydrophobicContact CE2-CG2 4.22Å; F162-V219 HydrophobicContact CZ-CG1 4.03Å; F162-V219 HydrophobicContact CZ-CG2 4.12Å; L164-V219 HydrophobicContact CD1-CG1 4.41Å; I176-V219 HydrophobicContact CD1-CG1 4.2Å; V217-V219 VanDerWaalsContact CG1-O 3.26Å; V217-V219 WeakPolarHBondContact CG1-O 3.47Å; V219-I221 HydrophobicContact CG1-CG1 4.2Å
220L96Very high91.5Very high0 Ų041.9 Ų41.90%022%0.224CC..EExtended strand (participates in β ladder)trans-104.6124.4168-172.5151.5000108.4I83 L115 D117 S120 S123 F124 I184I83-L220 HydrophobicContact CD1-CD1 3.77Å; L115-L220 HydrophobicContact CD2-CD1 4.25Å; L115-L220 CarbonylContact O-C 3.57Å; L115-L220 WeakPolarHBondContact O-CA 3.21Å; D117-L220 HydrophobicContact CB-CD1 4.37Å; D117-L220 HydrophobicContact CB-CD2 4.32Å; D117-L220 HydrophobicContact CB-CG 4.37Å; S120-L220 WeakPolarHBondContact OG-CD2 3.42Å; S123-L220 CarbonylContact C-O 3.5Å; S123-L220 WeakPolarHBondContact CA-O 3.37Å; S123-L220 WeakPolarHBondContact CB-O 3.43Å; F124-L220 HydrophobicContact CB-CB 4.26Å; F124-L220 HydrophobicContact CD2-CD2 4.17Å; F124-L220 PolarHBondContact N-O 3.26Å; F124-L220 PolarHBondContact O-N 3.25Å; I184-L220 HydrophobicContact CD1-CB 4.23Å; I184-L220 HydrophobicContact CG2-CB 3.73Å; I184-L220 HydrophobicContact CG2-CD1 3.72Å; I184-L220 HydrophobicContact CG2-CG 4.36Å
221I96Very high91.6Very high0 Ų041.9 Ų41.90%023%0.232CC..EExtended strand (participates in β ladder)trans-99.4107.7175.9-56.2177.6000107.3C114 L115 L116 D117 L164 V219 F229 F249C114-I221 HydrophobicContact CB-CD1 4.2Å; L115-I221 PolarHBondContact O-N 2.65Å; L116-I221 HydrophobicContact CG-CB 4.37Å; L116-I221 HydrophobicContact CG-CD1 4.34Å; D117-I221 PolarHBondContact N-O 3.19Å; L164-I221 HydrophobicContact CD1-CD1 3.78Å; L164-I221 HydrophobicContact CD1-CG1 4.34Å; V219-I221 HydrophobicContact CG1-CG1 4.2Å; I221-F229 HydrophobicContact CD1-CD2 4.04Å; I221-F229 HydrophobicContact CD1-CE2 4.06Å; I221-F229 HydrophobicContact CD1-CG 4.3Å; I221-F229 HydrophobicContact CD1-CZ 4.33Å; I221-F229 HydrophobicContact CG2-CD2 3.79Å; I221-F229 HydrophobicContact CG2-CE2 4Å; I221-F249 HydrophobicContact CD1-CE2 4.19Å
222G92.3Very high91.7Very high0 Ų045.9 Ų45.90%025%0.248CC..EExtended strand (participates in β ladder)trans-79.5176.6178.200000112.9D117 S120 S123 D224 Y225 Y226D117-G222 WeakPolarHBondContact O-CA 3.47Å; S120-G222 CarbonylContact O-C 3.47Å; S120-G222 WeakPolarHBondContact O-CA 3.38Å; S123-G222 PolarHBondContact OG-N 3.06Å; G222-D224 VanDerWaalsContact C-OD1 3.31Å; G222-D224 WeakPolarHBondContact CA-OD1 3.5Å; G222-D224 PolarHBondContact O-N 2.9Å; G222-D224 VanDerWaalsContact O-N 3.12Å; G222-Y225 PolarHBondContact O-N 3.44Å; G222-Y226 WeakPolarHBondContact O-CA 3.14Å; G222-Y226 WeakPolarHBondContact O-CB 3.14Å; G222-Y226 PolarHBondContact O-N 3.45Å
223A87.8Confident91.9Very high35 Ų3548.3 Ų48.329%0.28926%0.261SS..THydrogen-bonded Turntrans-55.4-24.6174.400000113.9V118 S120 Y225V118-A223 HydrophobicContact CG1-CB 4.14Å; S120-A223 PolarHBondContact O-N 2.95Å; A223-Y225 PolarHBondContact O-N 3.03Å
224D93.2Very high92.3Very high47 Ų4749.8 Ų49.825%0.25126%0.26SS..THydrogen-bonded Turntrans-61.4-27.3175.157.8-15.8000113.5Q121 R122 S123 G222Q121-D224 WeakPolarHBondContact O-CB 3.31Å; R122-D224 WeakPolarHBondContact CA-OD2 3.2Å; S123-D224 PolarHBondContact N-OD1 3.23Å; S123-D224 PolarHBondContact N-OD2 3.39Å; S123-D224 PolarHBondContact OG-OD1 3.05Å; G222-D224 VanDerWaalsContact C-OD1 3.31Å; G222-D224 WeakPolarHBondContact CA-OD1 3.5Å; G222-D224 PolarHBondContact O-N 2.9Å; G222-D224 VanDerWaalsContact O-N 3.12Å
225Y95.9Very high92.8Very high57 Ų5749.9 Ų49.922%0.22425%0.25CC..THydrogen-bonded Turntrans-129.4-6.5176.9-66.6-75.2000114S123 I176 K177 G222 A223 Y227 D228 F229S123-Y225 WeakPolarHBondContact OG-CD2 3.46Å; I176-Y225 HydrophobicContact CB-CD1 4.22Å; I176-Y225 HydrophobicContact CB-CD2 3.93Å; I176-Y225 HydrophobicContact CB-CE1 4.23Å; I176-Y225 HydrophobicContact CB-CE2 3.95Å; I176-Y225 HydrophobicContact CB-CG 4.06Å; I176-Y225 HydrophobicContact CG2-CD1 3.64Å; I176-Y225 HydrophobicContact CG2-CD2 3.99Å; I176-Y225 HydrophobicContact CG2-CE1 4.06Å; I176-Y225 HydrophobicContact CG2-CE2 4.39Å; I176-Y225 HydrophobicContact CG2-CG 3.59Å; K177-Y225 PolarHBondContact N-OH 2.97Å; K177-Y225 VanDerWaalsContact N-OH 3.15Å; K177-Y225 WeakPolarHBondContact O-CE2 3.35Å; G222-Y225 PolarHBondContact O-N 3.44Å; A223-Y225 PolarHBondContact O-N 3.03Å; Y225-Y227 VanDerWaalsContact C-N 3.33Å; Y225-Y227 PolarHBondContact O-N 2.85Å; Y225-D228 VanDerWaalsContact O-CB 3.26Å; Y225-D228 WeakPolarHBondContact O-CB 3.07Å; Y225-D228 PolarHBondContact O-N 3.47Å; Y225-F229 VanDerWaalsContact O-CD2 3.24Å; Y225-F229 WeakPolarHBondContact O-CD2 3.3Å
226Y95.3Very high93Very high19 Ų1954.3 Ų54.38%0.07527%0.269CS..Hα-helixtrans-49.5-51.3-174179.7-90.8000113Q96 L116 V118 G222 D228 F229 V230Q96-Y226 VanDerWaalsContact CD-OH 3.29Å; Q96-Y226 PolarHBondContact NE2-OH 3.09Å; Q96-Y226 VanDerWaalsContact OE1-CZ 3.3Å; Q96-Y226 PolarHBondContact OE1-OH 2.7Å; L116-Y226 HydrophobicContact CB-CD2 3.91Å; L116-Y226 HydrophobicContact CB-CE2 3.76Å; L116-Y226 HydrophobicContact CD2-CD2 4.33Å; L116-Y226 HydrophobicContact CD2-CE2 4.28Å; V118-Y226 HydrophobicContact CG2-CD1 3.64Å; V118-Y226 HydrophobicContact CG2-CD2 3.49Å; V118-Y226 VanDerWaalsContact CG2-CD2 3.49Å; V118-Y226 HydrophobicContact CG2-CE1 3.56Å; V118-Y226 HydrophobicContact CG2-CE2 3.4Å; V118-Y226 HydrophobicContact CG2-CG 3.61Å; V118-Y226 VanDerWaalsContact CG2-CZ 3.44Å; G222-Y226 WeakPolarHBondContact O-CA 3.14Å; G222-Y226 WeakPolarHBondContact O-CB 3.14Å; G222-Y226 PolarHBondContact O-N 3.45Å; Y226-D228 PolarHBondContact O-N 2.7Å; Y226-F229 PolarHBondContact O-N 3.18Å; Y226-F229 VanDerWaalsContact O-N 3.08Å; Y226-V230 HydrophobicContact CD1-CB 4.45Å; Y226-V230 HydrophobicContact CD1-CG2 4.2Å; Y226-V230 HydrophobicContact CD2-CG2 4.4Å; Y226-V230 HydrophobicContact CE1-CB 4.03Å; Y226-V230 HydrophobicContact CE1-CG1 4.27Å; Y226-V230 HydrophobicContact CE1-CG2 3.76Å; Y226-V230 HydrophobicContact CE2-CG2 3.99Å; Y226-V230 HydrophobicContact CG-CG2 4.49Å; Y226-V230 PolarHBondContact O-N 2.66Å; Y226-V230 VanDerWaalsContact O-N 3.15Å
227Y93.8Very high92.8Very high165 Ų16555 Ų5565%0.64728%0.275SS*.Hα-helixtrans-72.1-7.9-178.4-59.2-74.9000113.7Y225Y225-Y227 VanDerWaalsContact C-N 3.33Å; Y225-Y227 PolarHBondContact O-N 2.85Å
228D93.7Very high92.3Very high73 Ų7356.7 Ų56.739%0.3929%0.29SS..Hα-helixtrans-79.4-20.2170.1-73.5-39.3000113K174 Y225 Y226K174-D228 HydrophobicContact CD-CB 4.38Å; K174-D228 WeakPolarHBondContact CE-O 3.44Å; K174-D228 PolarHBondContact NZ-O 2.83Å; K174-D228 IonicContact NZ-OD1 3.68Å; Y225-D228 VanDerWaalsContact O-CB 3.26Å; Y225-D228 WeakPolarHBondContact O-CB 3.07Å; Y225-D228 PolarHBondContact O-N 3.47Å; Y226-D228 PolarHBondContact O-N 2.7Å
229F94.6Very high91.3Very high0 Ų060.6 Ų60.60%033%0.325CS..Hα-helixtrans-105.6-33.1-176.7-68.9-82.8000113.1L116 L164 K174 I176 I221 Y225 Y226 S247 I248 F249L116-F229 HydrophobicContact CD2-CB 4.36Å; L164-F229 HydrophobicContact CB-CE1 3.89Å; L164-F229 HydrophobicContact CB-CZ 4.14Å; L164-F229 HydrophobicContact CD1-CE1 4.19Å; L164-F229 HydrophobicContact CD1-CZ 3.94Å; K174-F229 HydrophobicContact CB-CD1 4.38Å; K174-F229 HydrophobicContact CB-CE1 3.5Å; K174-F229 HydrophobicContact CB-CE2 4.38Å; K174-F229 HydrophobicContact CB-CZ 3.5Å; K174-F229 VanDerWaalsContact CB-CZ 3.5Å; K174-F229 HydrophobicContact CG-CD1 4.37Å; K174-F229 HydrophobicContact CG-CE1 3.95Å; K174-F229 HydrophobicContact CG-CZ 4.27Å; I176-F229 HydrophobicContact CG2-CE2 3.65Å; I176-F229 HydrophobicContact CG2-CZ 3.69Å; I221-F229 HydrophobicContact CD1-CD2 4.04Å; I221-F229 HydrophobicContact CD1-CE2 4.06Å; I221-F229 HydrophobicContact CD1-CG 4.3Å; I221-F229 HydrophobicContact CD1-CZ 4.33Å; I221-F229 HydrophobicContact CG2-CD2 3.79Å; I221-F229 HydrophobicContact CG2-CE2 4Å; Y225-F229 VanDerWaalsContact O-CD2 3.24Å; Y225-F229 WeakPolarHBondContact O-CD2 3.3Å; Y226-F229 PolarHBondContact O-N 3.18Å; Y226-F229 VanDerWaalsContact O-N 3.08Å; F229-S247 CarbonylContact O-C 3.6Å; F229-S247 VanDerWaalsContact O-CA 3.27Å; F229-S247 WeakPolarHBondContact O-CA 3.45Å; F229-S247 VanDerWaalsContact O-CB 3.31Å; F229-S247 WeakPolarHBondContact O-CB 3.35Å; F229-I248 HydrophobicContact CB-CG1 4.49Å; F229-I248 HydrophobicContact CD1-CD1 3.35Å; F229-I248 HydrophobicContact CD1-CG1 3.75Å; F229-I248 HydrophobicContact CE1-CD1 3.72Å; F229-I248 HydrophobicContact CG-CD1 4.43Å; F229-I248 PolarHBondContact O-N 3.45Å; F229-F249 HydrophobicContact CB-CE2 4.21Å; F229-F249 HydrophobicContact CD1-CD2 4.38Å; F229-F249 HydrophobicContact CD1-CE1 4.2Å; F229-F249 AromaticContact CD1-CE2 3.35Å; F229-F249 HydrophobicContact CD1-CE2 3.35Å; F229-F249 AromaticContact CD1-CZ 3.24Å; F229-F249 HydrophobicContact CD1-CZ 3.24Å; F229-F249 HydrophobicContact CE1-CE1 4.26Å; F229-F249 AromaticContact CE1-CE2 3.97Å; F229-F249 HydrophobicContact CE1-CE2 3.97Å; F229-F249 AromaticContact CE1-CZ 3.39Å; F229-F249 HydrophobicContact CE1-CZ 3.39Å; F229-F249 AromaticContact CG-CE2 3.99Å; F229-F249 HydrophobicContact CG-CE2 3.99Å; F229-F249 HydrophobicContact CG-CZ 4.26Å; F229-F249 HydrophobicContact CZ-CZ 4.49Å
230V93.6Very high90.5Very high23 Ų2364.7 Ų64.714%0.13935%0.347CS..EExtended strand (participates in β ladder)trans-88.3133.5-177.1178.40000110.3L116 Y226 V245 I252L116-V230 HydrophobicContact CD2-CG2 3.76Å; Y226-V230 HydrophobicContact CD1-CB 4.45Å; Y226-V230 HydrophobicContact CD1-CG2 4.2Å; Y226-V230 HydrophobicContact CD2-CG2 4.4Å; Y226-V230 HydrophobicContact CE1-CB 4.03Å; Y226-V230 HydrophobicContact CE1-CG1 4.27Å; Y226-V230 HydrophobicContact CE1-CG2 3.76Å; Y226-V230 HydrophobicContact CE2-CG2 3.99Å; Y226-V230 HydrophobicContact CG-CG2 4.49Å; Y226-V230 PolarHBondContact O-N 2.66Å; Y226-V230 VanDerWaalsContact O-N 3.15Å; V230-V245 HydrophobicContact CG1-CG1 3.45Å; V230-V245 VanDerWaalsContact CG1-CG1 3.45Å; V230-I252 HydrophobicContact CG2-CD1 4.44Å
231G89.3Confident89.9Confident28 Ų2866.8 Ų66.829%0.28936%0.356SS..EExtended strand (participates in β ladder)trans-88.6-175.7176.800000112.7Q246G231-Q246 WeakPolarHBondContact CA-O 3.43Å; G231-Q246 PolarHBondContact N-O 2.98Å
232N88.3Confident89.6Confident167 Ų16766.8 Ų66.889%0.89336%0.356SS*.EExtended strand (participates in β ladder)trans-91.4-14.6-174.9-62.4-21.1000113.6
233E92.8Very high89.5Confident72 Ų7268.8 Ų68.834%0.33637%0.369SS..EExtended strand (participates in β ladder)trans-85.1123.4-176.3-160.6-171.615500111R235 Q246 W251E233-R235 IonicContact OE1-CZ 3.55Å; E233-R235 IonicContact OE1-NE 3.74Å; E233-R235 PolarHBondContact OE1-NE 2.87Å; E233-R235 IonicContact OE1-NH2 2.61Å; E233-R235 PolarHBondContact OE1-NH2 3.1Å; E233-Q246 HydrophobicContact CB-CB 3.88Å; E233-Q246 WeakPolarHBondContact O-CB 3.37Å; E233-Q246 PolarHBondContact O-N 3.24Å; E233-Q246 PolarHBondContact OE2-NE2 3.28Å; E233-Q246 VanDerWaalsContact OE2-NE2 3.07Å; E233-W251 HydrophobicContact CB-CH2 4.11Å; E233-W251 HydrophobicContact CG-CH2 3.74Å; E233-W251 HydrophobicContact CG-CZ2 4.41Å; E233-W251 VanDerWaalsContact OE1-CH2 3.3Å; E233-W251 WeakPolarHBondContact OE1-CH2 3.39Å; E233-W251 WeakPolarHBondContact OE1-CZ2 3.35Å
234V93.6Very high89.8Confident80 Ų8067.1 Ų67.149%0.48536%0.355SS..EExtended strand (participates in β ladder)trans-126128176.6-179.50000108.9V243 G244 V245V234-V243 HydrophobicContact CG1-CG1 3.5Å; V234-V243 VanDerWaalsContact CG1-CG1 3.5Å; V234-G244 CarbonylContact C-O 3.54Å; V234-G244 WeakPolarHBondContact CA-O 3.23Å; V234-V245 HydrophobicContact CG1-CG2 4.43Å; V234-V245 HydrophobicContact CG2-CG1 4.36Å; V234-V245 HydrophobicContact CG2-CG2 4.42Å
235R91.7Very high89.8Confident95 Ų9565.4 Ų65.436%0.35835%0.346SS..EExtended strand (participates in β ladder)trans-112.3116.8176.5-65.9-176.4-173.9-168.42.8109.5H200 L201 E233 G244 W251H200-R235 WeakPolarHBondContact O-CD 3.42Å; L201-R235 HydrophobicContact CD2-CB 4.44Å; E233-R235 IonicContact OE1-CZ 3.55Å; E233-R235 IonicContact OE1-NE 3.74Å; E233-R235 PolarHBondContact OE1-NE 2.87Å; E233-R235 IonicContact OE1-NH2 2.61Å; E233-R235 PolarHBondContact OE1-NH2 3.1Å; R235-G244 PolarHBondContact N-O 2.91Å; R235-G244 PolarHBondContact O-N 2.89Å; R235-W251 HydrophobicContact CB-CZ3 4.19Å; R235-W251 HydrophobicContact CG-CH2 3.66Å; R235-W251 HydrophobicContact CG-CZ3 3.75Å
236K90.8Very high89.8Confident164 Ų16466 Ų6671%0.71335%0.351SS*.  trans-133.615218058.7-179.4-179.6178.10109.2V243K236-V243 HydrophobicContact CB-CG1 4.34Å; K236-V243 HydrophobicContact CB-CG2 4.15Å
237N86.8Confident89.8Confident107 Ų10765.7 Ų65.757%0.57235%0.351SS*.  trans-133.8-116.8176.3-17332000108.6H200 E241H200-N237 HydrophobicContact CB-CB 4.17Å; N237-E241 WeakPolarHBondContact CB-OE2 3.47Å; N237-E241 PolarHBondContact ND2-OE2 3.06Å
238A80.2Confident89.7Confident41 Ų4159.8 Ų59.834%0.33933%0.331SS..SBendtrans-67.5154.8176.500000112.3D240 E241A238-D240 VanDerWaalsContact CB-OD1 3.27Å; A238-D240 WeakPolarHBondContact CB-OD1 3.22Å; A238-D240 PolarHBondContact O-N 3.23Å; A238-E241 HydrophobicContact CB-CB 4.47Å; A238-E241 HydrophobicContact CB-CG 4.1Å; A238-E241 PolarHBondContact O-N 2.89Å; A238-E241 VanDerWaalsContact O-N 3.14Å
239A74.6Confident89.8Confident99 Ų9956.8 Ų56.882%0.81831%0.314SS*.THydrogen-bonded Turntrans-70.1-17.6-174.900000114.2
240D80.4Confident89.7Confident86 Ų8656.9 Ų56.946%0.4632%0.315SS..THydrogen-bonded Turntrans-97.2-1.9175.462.1-29.7000113A238 K256 T257 G258A238-D240 VanDerWaalsContact CB-OD1 3.27Å; A238-D240 WeakPolarHBondContact CB-OD1 3.22Å; A238-D240 PolarHBondContact O-N 3.23Å; D240-K256 CarbonylContact O-C 3.31Å; D240-T257 CarbonylContact O-C 3.49Å; D240-G258 WeakPolarHBondContact O-CA 3.42Å; D240-G258 PolarHBondContact O-N 3.42Å
241E83.7Confident89.8Confident44 Ų4456.7 Ų56.721%0.20631%0.312CS..SBendtrans-96152.8173.9-71-179.8-17600111.8H200 N237 A238 K256H200-E241 IonicContact CE1-OE2 3.31Å; H200-E241 PolarHBondContact CE1-OE2 3.34Å; H200-E241 IonicContact ND1-OE2 3.05Å; H200-E241 PolarHBondContact ND1-OE2 2.9Å; H200-E241 IonicContact NE2-OE2 2.7Å; N237-E241 WeakPolarHBondContact CB-OE2 3.47Å; N237-E241 PolarHBondContact ND2-OE2 3.06Å; A238-E241 HydrophobicContact CB-CB 4.47Å; A238-E241 HydrophobicContact CB-CG 4.1Å; A238-E241 PolarHBondContact O-N 2.89Å; A238-E241 VanDerWaalsContact O-N 3.14Å; E241-K256 CarbonylContact C-O 3.58Å
242P88.8Confident90Very high0 Ų055.3 Ų55.30%030%0.298CS..PPolyproline II helixtrans-70151.5179.722-25.7000111.2W198 H200 L201 C254 K256W198-P242 HydrophobicContact CD2-CG 3.67Å; W198-P242 VanDerWaalsContact CE2-CG 3.47Å; W198-P242 HydrophobicContact CE3-CG 4.15Å; W198-P242 HydrophobicContact CG-CG 4.08Å; W198-P242 HydrophobicContact CH2-CG 4.28Å; W198-P242 HydrophobicContact CZ2-CG 3.82Å; W198-P242 HydrophobicContact CZ3-CG 4.42Å; H200-P242 PolarHBondContact NE2-O 3.36Å; L201-P242 HydrophobicContact CD1-CB 4.19Å; L201-P242 HydrophobicContact CD1-CG 3.77Å; P242-C254 CarbonylContact C-O 3.5Å; P242-C254 WeakPolarHBondContact CA-O 3.32Å; P242-K256 WeakPolarHBondContact CA-O 3.32Å; P242-K256 VanDerWaalsContact CD-O 3.3Å; P242-K256 WeakPolarHBondContact CD-O 3.31Å
243V91.2Very high90.1Very high42 Ų4247.4 Ų47.426%0.25526%0.256SS..EExtended strand (participates in β ladder)trans-96.8133.8176.3-179.40000109V234 K236 V245 L253 C254V234-V243 HydrophobicContact CG1-CG1 3.5Å; V234-V243 VanDerWaalsContact CG1-CG1 3.5Å; K236-V243 HydrophobicContact CB-CG1 4.34Å; K236-V243 HydrophobicContact CB-CG2 4.15Å; V243-V245 HydrophobicContact CG1-CG2 4.17Å; V243-L253 WeakPolarHBondContact O-CA 3.25Å; V243-C254 PolarHBondContact N-O 3.23Å; V243-C254 PolarHBondContact O-N 3.37Å
244G92.9Very high90Very high0 Ų044.7 Ų44.70%024%0.244CC..EExtended strand (participates in β ladder)trans-96.7125171.200000110V234 R235 I252V234-G244 CarbonylContact C-O 3.54Å; V234-G244 WeakPolarHBondContact CA-O 3.23Å; R235-G244 PolarHBondContact N-O 2.91Å; R235-G244 PolarHBondContact O-N 2.89Å; G244-I252 CarbonylContact C-O 3.15Å; G244-I252 WeakPolarHBondContact CA-O 3.38Å
245V94.6Very high89.5Confident12 Ų1242 Ų427%0.07323%0.233CC..EExtended strand (participates in β ladder)trans-116.4124175-175.60000108.2V230 V234 V243 I252V230-V245 HydrophobicContact CG1-CG1 3.45Å; V230-V245 VanDerWaalsContact CG1-CG1 3.45Å; V234-V245 HydrophobicContact CG1-CG2 4.43Å; V234-V245 HydrophobicContact CG2-CG1 4.36Å; V234-V245 HydrophobicContact CG2-CG2 4.42Å; V243-V245 HydrophobicContact CG1-CG2 4.17Å; V245-I252 PolarHBondContact N-O 3.31Å; V245-I252 PolarHBondContact O-N 2.95Å
246Q95.1Very high89.1Confident69 Ų6942.7 Ų42.732%0.32224%0.238SC..EExtended strand (participates in β ladder)trans-67.6136.6176.6-173.8-177.763.600109.6G231 E233 W251G231-Q246 WeakPolarHBondContact CA-O 3.43Å; G231-Q246 PolarHBondContact N-O 2.98Å; E233-Q246 HydrophobicContact CB-CB 3.88Å; E233-Q246 WeakPolarHBondContact O-CB 3.37Å; E233-Q246 PolarHBondContact O-N 3.24Å; E233-Q246 PolarHBondContact OE2-NE2 3.28Å; E233-Q246 VanDerWaalsContact OE2-NE2 3.07Å; Q246-W251 HydrophobicContact CB-CD2 4.39Å; Q246-W251 HydrophobicContact CB-CE3 4.26Å; Q246-W251 HydrophobicContact CB-CH2 4.01Å; Q246-W251 HydrophobicContact CB-CZ2 4.15Å; Q246-W251 HydrophobicContact CB-CZ3 4.07Å; Q246-W251 HydrophobicContact CG-CZ2 4.42Å
247S94.6Very high88.3Confident12 Ų1236.1 Ų36.18%0.08421%0.212CC..EExtended strand (participates in β ladder)trans-139.4171.1172.980.90000110.1F229 F249 G250F229-S247 CarbonylContact O-C 3.6Å; F229-S247 VanDerWaalsContact O-CA 3.27Å; F229-S247 WeakPolarHBondContact O-CA 3.45Å; F229-S247 VanDerWaalsContact O-CB 3.31Å; F229-S247 WeakPolarHBondContact O-CB 3.35Å; S247-F249 PolarHBondContact O-N 3.13Å; S247-F249 PolarHBondContact OG-N 3.01Å; S247-F249 VanDerWaalsContact OG-N 3.1Å; S247-G250 WeakPolarHBondContact CB-O 3.23Å; S247-G250 PolarHBondContact N-O 3.34Å; S247-G250 PolarHBondContact O-N 3.3Å; S247-G250 PolarHBondContact OG-O 2.89Å
248I93.7Very high87.3Confident41 Ų4132.1 Ų32.121%0.2120%0.196CC..THydrogen-bonded Turntrans-61-27172.971.2165.9000112.4P166 P172 K174 F229 G250P166-I248 WeakPolarHBondContact CG-O 3.13Å; P172-I248 HydrophobicContact CG-CB 3.77Å; P172-I248 HydrophobicContact CG-CD1 4.2Å; P172-I248 HydrophobicContact CG-CG2 3.66Å; K174-I248 HydrophobicContact CG-CD1 3.84Å; F229-I248 HydrophobicContact CB-CG1 4.49Å; F229-I248 HydrophobicContact CD1-CD1 3.35Å; F229-I248 HydrophobicContact CD1-CG1 3.75Å; F229-I248 HydrophobicContact CE1-CD1 3.72Å; F229-I248 HydrophobicContact CG-CD1 4.43Å; F229-I248 PolarHBondContact O-N 3.45Å; I248-G250 VanDerWaalsContact C-N 3.27Å; I248-G250 PolarHBondContact O-N 3.38Å
249F94.4Very high86Confident10 Ų1041.7 Ų41.74%0.04422%0.224CC..THydrogen-bonded Turntrans-82.1-5.5-178-56.1-58.3000113.4A98 A100 L164 P166 I221 F229 S247A98-F249 HydrophobicContact CB-CB 3.98Å; A98-F249 HydrophobicContact CB-CD2 3.62Å; A98-F249 HydrophobicContact CB-CE2 4.36Å; A98-F249 HydrophobicContact CB-CG 4Å; A100-F249 HydrophobicContact CB-CD1 3.98Å; A100-F249 HydrophobicContact CB-CE1 3.51Å; A100-F249 HydrophobicContact CB-CZ 3.94Å; L164-F249 HydrophobicContact CB-CE1 4.25Å; L164-F249 HydrophobicContact CB-CZ 4.07Å; L164-F249 HydrophobicContact CD1-CZ 4.35Å; P166-F249 HydrophobicContact CG-CD1 4.5Å; I221-F249 HydrophobicContact CD1-CE2 4.19Å; F229-F249 HydrophobicContact CB-CE2 4.21Å; F229-F249 HydrophobicContact CD1-CD2 4.38Å; F229-F249 HydrophobicContact CD1-CE1 4.2Å; F229-F249 AromaticContact CD1-CE2 3.35Å; F229-F249 HydrophobicContact CD1-CE2 3.35Å; F229-F249 AromaticContact CD1-CZ 3.24Å; F229-F249 HydrophobicContact CD1-CZ 3.24Å; F229-F249 HydrophobicContact CE1-CE1 4.26Å; F229-F249 AromaticContact CE1-CE2 3.97Å; F229-F249 HydrophobicContact CE1-CE2 3.97Å; F229-F249 AromaticContact CE1-CZ 3.39Å; F229-F249 HydrophobicContact CE1-CZ 3.39Å; F229-F249 AromaticContact CG-CE2 3.99Å; F229-F249 HydrophobicContact CG-CE2 3.99Å; F229-F249 HydrophobicContact CG-CZ 4.26Å; F229-F249 HydrophobicContact CZ-CZ 4.49Å; S247-F249 PolarHBondContact O-N 3.13Å; S247-F249 PolarHBondContact OG-N 3.01Å; S247-F249 VanDerWaalsContact OG-N 3.1Å
250G93.1Very high84.7Confident2 Ų241.3 Ų41.32%0.02121%0.211CC..EExtended strand (participates in β ladder)trans115.1-171.4-166.200000111.5N205 S247 I248 I252N205-G250 CarbonylContact O-C 3.55Å; N205-G250 WeakPolarHBondContact O-CA 3.21Å; S247-G250 WeakPolarHBondContact CB-O 3.23Å; S247-G250 PolarHBondContact N-O 3.34Å; S247-G250 PolarHBondContact O-N 3.3Å; S247-G250 PolarHBondContact OG-O 2.89Å; I248-G250 VanDerWaalsContact C-N 3.27Å; I248-G250 PolarHBondContact O-N 3.38Å; G250-I252 PolarHBondContact O-N 3.14Å
251W94.6Very high82.6Confident19 Ų1945.9 Ų45.97%0.07223%0.232CC..EExtended strand (participates in β ladder)trans-77.9115.9179.5-75.292.4000111.1P202 N205 L206 S207 E233 R235 Q246P202-W251 HydrophobicContact CB-CG 4.32Å; P202-W251 HydrophobicContact CG-CB 3.7Å; P202-W251 HydrophobicContact CG-CD2 3.4Å; P202-W251 VanDerWaalsContact CG-CD2 3.4Å; P202-W251 HydrophobicContact CG-CE3 4.09Å; P202-W251 HydrophobicContact CG-CG 3.17Å; N205-W251 PolarHBondContact O-N 3.42Å; L206-W251 WeakPolarHBondContact CA-O 3.42Å; L206-W251 HydrophobicContact CD2-CB 4.1Å; S207-W251 PolarHBondContact N-O 3.02Å; S207-W251 PolarHBondContact OG-O 3.27Å; E233-W251 HydrophobicContact CB-CH2 4.11Å; E233-W251 HydrophobicContact CG-CH2 3.74Å; E233-W251 HydrophobicContact CG-CZ2 4.41Å; E233-W251 VanDerWaalsContact OE1-CH2 3.3Å; E233-W251 WeakPolarHBondContact OE1-CH2 3.39Å; E233-W251 WeakPolarHBondContact OE1-CZ2 3.35Å; R235-W251 HydrophobicContact CB-CZ3 4.19Å; R235-W251 HydrophobicContact CG-CH2 3.66Å; R235-W251 HydrophobicContact CG-CZ3 3.75Å; Q246-W251 HydrophobicContact CB-CD2 4.39Å; Q246-W251 HydrophobicContact CB-CE3 4.26Å; Q246-W251 HydrophobicContact CB-CH2 4.01Å; Q246-W251 HydrophobicContact CB-CZ2 4.15Å; Q246-W251 HydrophobicContact CB-CZ3 4.07Å; Q246-W251 HydrophobicContact CG-CZ2 4.42Å
252I94.6Very high80.3Confident0 Ų051.9 Ų51.90%026%0.26CS..EExtended strand (participates in β ladder)trans-82.2120.5174.2-59.4171.8000108.1Q96 L116 S207 V230 G244 V245 G250Q96-I252 HydrophobicContact CB-CG2 3.68Å; Q96-I252 HydrophobicContact CG-CG2 3.75Å; L116-I252 HydrophobicContact CD1-CD1 4.11Å; L116-I252 HydrophobicContact CD2-CD1 3.83Å; S207-I252 VanDerWaalsContact OG-CA 3.27Å; S207-I252 WeakPolarHBondContact OG-CA 3.29Å; S207-I252 WeakPolarHBondContact OG-CG1 3.48Å; V230-I252 HydrophobicContact CG2-CD1 4.44Å; G244-I252 CarbonylContact C-O 3.15Å; G244-I252 WeakPolarHBondContact CA-O 3.38Å; V245-I252 PolarHBondContact N-O 3.31Å; V245-I252 PolarHBondContact O-N 2.95Å; G250-I252 PolarHBondContact O-N 3.14Å
253L90.8Very high78Confident1 Ų158.7 Ų58.71%0.00529%0.292CS..EExtended strand (participates in β ladder)trans-94128.4172.7-53.4-173.8000109I94 F194 W198 L201 L206 F210 V243I94-L253 VanDerWaalsContact CG2-O 3.25Å; I94-L253 WeakPolarHBondContact CG2-O 2.96Å; F194-L253 HydrophobicContact CD2-CD1 3.9Å; F194-L253 HydrophobicContact CE2-CD1 3.81Å; W198-L253 HydrophobicContact CZ3-CD1 4.46Å; L201-L253 HydrophobicContact CB-CD2 4.35Å; L201-L253 HydrophobicContact CD1-CD1 4.4Å; L201-L253 HydrophobicContact CD1-CD2 3.72Å; L201-L253 HydrophobicContact CD2-CD2 4.08Å; L201-L253 HydrophobicContact CG-CD2 4.27Å; L206-L253 HydrophobicContact CD1-CD1 4.23Å; L206-L253 HydrophobicContact CD2-CD1 3.95Å; L206-L253 HydrophobicContact CD2-CD2 4.06Å; L206-L253 HydrophobicContact CD2-CG 3.99Å; F210-L253 HydrophobicContact CD2-CD1 4.18Å; F210-L253 HydrophobicContact CE1-CD1 4.42Å; F210-L253 HydrophobicContact CE2-CB 4.25Å; F210-L253 HydrophobicContact CE2-CD1 3.98Å; F210-L253 HydrophobicContact CE2-CG 4.26Å; F210-L253 HydrophobicContact CG-CD1 4.49Å; F210-L253 HydrophobicContact CZ-CB 3.92Å; F210-L253 HydrophobicContact CZ-CD1 4.12Å; F210-L253 HydrophobicContact CZ-CG 4.38Å; V243-L253 WeakPolarHBondContact O-CA 3.25Å
254C89.6Confident75.4Confident14 Ų1459.5 Ų59.510%0.09530%0.297CS..EExtended strand (participates in β ladder)trans-150.1167.4179.862.30000112I94 Q96 P242 V243I94-C254 CarbonylContact O-C 3.51Å; I94-C254 WeakPolarHBondContact O-CA 3.16Å; I94-C254 WeakPolarHBondContact O-CB 3.43Å; Q96-C254 HydrophobicContact CG-CB 3.53Å; P242-C254 CarbonylContact C-O 3.5Å; P242-C254 WeakPolarHBondContact CA-O 3.32Å; V243-C254 PolarHBondContact N-O 3.23Å; V243-C254 PolarHBondContact O-N 3.37Å
255G84.6Confident72.7Confident23 Ų2359.6 Ų59.624%0.23730%0.298CS..EExtended strand (participates in β ladder)trans92.7-168.3-178.400000113.3V93 I94V93-G255 CarbonylContact C-O 3.58Å; V93-G255 WeakPolarHBondContact CA-O 3.4Å; I94-G255 PolarHBondContact N-O 3.4Å; I94-G255 PolarHBondContact O-N 3Å
256K81.5Confident69.9Low111 Ų11160.1 Ų60.148%0.48330%0.301SS..EExtended strand (participates in β ladder)trans-67.2150.8-175.1-64.7178.2179.2-176.30110.9V93 D240 E241 P242V93-K256 HydrophobicContact CG2-CG 4.07Å; D240-K256 CarbonylContact O-C 3.31Å; E241-K256 CarbonylContact C-O 3.58Å; P242-K256 WeakPolarHBondContact CA-O 3.32Å; P242-K256 VanDerWaalsContact CD-O 3.3Å; P242-K256 WeakPolarHBondContact CD-O 3.31Å
257T73.8Confident67Low25 Ų2560.8 Ų60.815%0.15331%0.31CS..  trans-114.28.7-179.3500000114.5K92 I94 P192 W198 D240K92-T257 PolarHBondContact O-N 2.97Å; K92-T257 VanDerWaalsContact O-N 3.1Å; K92-T257 PolarHBondContact O-OG1 2.85Å; I94-T257 HydrophobicContact CD1-CG2 3.14Å; I94-T257 HydrophobicContact CG1-CG2 3.52Å; P192-T257 HydrophobicContact CG-CG2 4.26Å; W198-T257 HydrophobicContact CH2-CG2 4.44Å; W198-T257 HydrophobicContact CZ2-CG2 4.18Å; D240-T257 CarbonylContact O-C 3.49Å
258G67.1Low64.5Low24 Ų2460.8 Ų60.825%0.24731%0.309CS..  trans100.2170.9-174.700000112.5D240 T260D240-G258 WeakPolarHBondContact O-CA 3.42Å; D240-G258 PolarHBondContact O-N 3.42Å; G258-T260 PolarHBondContact O-N 3.31Å
259R53.4Low61.7Low242 Ų24261.9 Ų61.991%0.91332%0.317SS*.  trans-77.398.9177.3-70.1-179.2179.1171.10.1109.9
260T47Very low59Low91 Ų9161.4 Ų61.456%0.55832%0.315SS*.  trans-95.4127151.736.70000107.9G258 E262G258-T260 PolarHBondContact O-N 3.31Å; T260-E262 PolarHBondContact O-N 2.93Å
261M34.9Very low56.2Low182 Ų18267 Ų6790%0.89734%0.341SS*.SBendtrans-62128.3164.7-70-175.569.100106.6
262E35.3Very low53.4Low170 Ų17066.7 Ų66.779%0.79434%0.341SS*.SBendtrans79.9119.3-178.9-51.3-179.9171.600115T260T260-E262 PolarHBondContact O-N 2.93Å
263E41.2Very low50.5Low142 Ų14269 Ų6966%0.66436%0.357SS*.  trans124.1146.8156.5-65.6-172.7171.900117
264V35.8Very low47.7Very low59 Ų5975.1 Ų75.136%0.35839%0.385SS..  trans-94.8143-152.4-177.60000112.2K87K87-V264 HydrophobicContact CB-CG1 3.41Å; K87-V264 VanDerWaalsContact CB-CG1 3.41Å; K87-V264 HydrophobicContact CD-CG1 3.74Å; K87-V264 HydrophobicContact CG-CG1 3.47Å; K87-V264 VanDerWaalsContact CG-CG1 3.47Å
265S37.5Very low44.9Very low3 Ų380.2 Ų80.22%0.02141%0.408CS..EExtended strand (participates in β ladder)trans-106.3147.5-175.8-171.50000113.9K87 T88 G91 V93K87-S265 WeakPolarHBondContact CA-O 3.27Å; T88-S265 PolarHBondContact N-O 3.26Å; T88-S265 PolarHBondContact O-N 2.85Å; T88-S265 VanDerWaalsContact O-N 3.08Å; G91-S265 WeakPolarHBondContact O-CB 3.37Å; V93-S265 WeakPolarHBondContact CB-OG 3.48Å; V93-S265 WeakPolarHBondContact CG2-OG 3.47Å; V93-S265 PolarHBondContact N-OG 3.43Å
266T35.2Very low42.6Very low23 Ų2387.6 Ų87.614%0.14144%0.436CS..EExtended strand (participates in β ladder)trans-118.8126.2-170.3-59.60000111.3V85 A86 L95V85-T266 HydrophobicContact CB-CG2 4.25Å; V85-T266 HydrophobicContact CG1-CG2 3.38Å; V85-T266 HydrophobicContact CG2-CG2 3.99Å; A86-T266 WeakPolarHBondContact O-CA 3.37Å; L95-T266 HydrophobicContact CD1-CG2 4.26Å; L95-T266 WeakPolarHBondContact CD2-O 3.49Å
267T34.4Very low41Very low82 Ų8286.3 Ų86.350%0.50344%0.441SS..EExtended strand (participates in β ladder)trans-124.7143.5172.6-21.20000111.4V85 A86V85-T267 WeakPolarHBondContact CA-O 3.32Å; A86-T267 PolarHBondContact N-O 3.37Å; A86-T267 VanDerWaalsContact N-O 3.08Å; A86-T267 PolarHBondContact O-N 3.13Å; A86-T267 VanDerWaalsContact O-N 3.16Å
268L41.8Very low39.6Very low13 Ų1390 Ų907%0.06846%0.464CS..EExtended strand (participates in β ladder)trans-126.2144.9-172.5-71.4154.6000111.9I83 V85 L95 L115 C185I83-L268 HydrophobicContact CB-CD2 4.26Å; I83-L268 HydrophobicContact CG2-CD2 3.8Å; V85-L268 HydrophobicContact CG2-CD2 3.53Å; V85-L268 HydrophobicContact CG2-CG 4.3Å; L95-L268 HydrophobicContact CD1-CD1 3.71Å; L115-L268 HydrophobicContact CD2-CD1 3.44Å; L115-L268 VanDerWaalsContact CD2-CD1 3.44Å; C185-L268 HydrophobicContact CB-CD2 4.18Å
269T35.8Very low38.7Very low64 Ų6491.9 Ų91.939%0.39347%0.468SS..  trans-157.3138.7169.5-54.30000110.5
270C36.1Very low38.5Very low0 Ų083.2 Ų83.20%044%0.441CS..EExtended strand (participates in β ladder)trans-143.7118-178.1-172.40000112.7I83 G119 S120 Q121I83-C270 HydrophobicContact CG2-CB 4.01Å; G119-C270 CarbonylContact O-C 3.56Å; G119-C270 PolarHBondContact O-N 3.01Å; G119-C270 VanDerWaalsContact O-N 3.11Å; S120-C270 VanDerWaalsContact CA-O 3.27Å; S120-C270 WeakPolarHBondContact CA-O 3.25Å; Q121-C270 PolarHBondContact N-O 2.83Å
271Q34.1Very low38.7Very low118 Ų11884.6 Ų84.655%0.55145%0.445SS*.EExtended strand (participates in β ladder)trans-106.8145.8176.9-75.3-175.8-30.300111.3L145L145-Q271 WeakPolarHBondContact CA-O 3.4Å; L145-Q271 HydrophobicContact CB-CB 4.46Å; L145-Q271 VanDerWaalsContact CB-O 3.29Å; L145-Q271 WeakPolarHBondContact CB-O 3.49Å; L145-Q271 PolarHBondContact N-O 2.81Å; L145-Q271 PolarHBondContact O-N 3.42Å; L145-Q271 VanDerWaalsContact O-O 3.07Å
272I36.7Very low39.6Very low14 Ų1479 Ų797%0.07242%0.419CS..EExtended strand (participates in β ladder)trans-136.2123.3-176.7-57.8168.2000109.2Q121 R122 F124 S143Q121-I272 VanDerWaalsContact OE1-N 3.13Å; Q121-I272 PolarHBondContact OE1-O 3.2Å; R122-I272 HydrophobicContact CB-CD1 3.56Å; R122-I272 HydrophobicContact CG-CD1 3.72Å; F124-I272 HydrophobicContact CE1-CD1 4.29Å; F124-I272 HydrophobicContact CE2-CD1 3.75Å; F124-I272 HydrophobicContact CZ-CD1 3.28Å; F124-I272 HydrophobicContact CZ-CG1 4.32Å; S143-I272 WeakPolarHBondContact O-CG2 3.35Å
273S32.8Very low40.4Very low49 Ų4976.9 Ų76.934%0.34340%0.403SS..EExtended strand (participates in β ladder)trans-101.9127.1171.462.80000110.5E275S273-E275 PolarHBondContact O-N 3.35Å
274E33.9Very low41Very low129 Ų12975.2 Ų75.260%0.60340%0.395SS*.  trans-80.398.5165.8-74.1176.7176.500108.8R122R122-E274 IonicContact CZ-OE1 2.7Å; R122-E274 IonicContact NE-OE1 2.66Å; R122-E274 PolarHBondContact NE-OE1 3.28Å; R122-E274 IonicContact NH2-OE1 3.92Å; R122-E274 PolarHBondContact NH2-OE1 3.07Å; R122-E274 IonicContact NH2-OE2 3.18Å
275E30.6Very low41.9Very low121 Ų12178 Ų7857%0.56540%0.403SS*.  trans-94.8101.8166-86.2-168.5164.900109.4S273 S277 N279S273-E275 PolarHBondContact O-N 3.35Å; E275-S277 PolarHBondContact O-N 3.22Å; E275-N279 PolarHBondContact OE2-ND2 3.08Å
276E35.2Very low42.8Very low177 Ų17784.9 Ų84.983%0.82743%0.428SS*.  trans-71.6111.6171.8-107.1-174.8164.400111.3V278E276-V278 VanDerWaalsContact C-N 3.33Å; E276-V278 PolarHBondContact O-N 3.3Å
277S48.9Very low43.6Very low84 Ų8490 Ų9059%0.58745%0.45SS*.SBendtrans63.5-19.5146.4820000121.8E275 L281E275-S277 PolarHBondContact O-N 3.22Å; S277-L281 WeakPolarHBondContact O-CB 3.35Å; S277-L281 PolarHBondContact O-N 3.35Å; S277-L281 VanDerWaalsContact O-N 3.16Å
278V43.5Very low44.4Very low104 Ų10492.7 Ų92.763%0.6346%0.461SS*.Hα-helixtrans-69.2-43.8-179.2-179.30000111.2E276 V280 L281 L282E276-V278 VanDerWaalsContact C-N 3.33Å; E276-V278 PolarHBondContact O-N 3.3Å; V278-V280 PolarHBondContact O-N 3.13Å; V278-L281 PolarHBondContact O-N 3.18Å; V278-L282 VanDerWaalsContact O-CB 3.27Å; V278-L282 WeakPolarHBondContact O-CB 3.27Å; V278-L282 PolarHBondContact O-N 2.81Å
279N48.9Very low44.9Very low63 Ų6397.6 Ų97.634%0.33749%0.487SS..Hα-helixtrans-68.2-35.1-177.9-90.2-37.5000113.6E275 R283E275-N279 PolarHBondContact OE2-ND2 3.08Å; N279-R283 WeakPolarHBondContact O-CB 3.4Å; N279-R283 VanDerWaalsContact O-CG 3.29Å; N279-R283 WeakPolarHBondContact O-CG 3.1Å; N279-R283 PolarHBondContact O-N 3.01Å
280V49.3Very low45.5Very low59 Ų5996.1 Ų96.136%0.35848%0.482SS..Hα-helixtrans-69.6-42.5175.61770000110.3V278 R283 Q284V278-V280 PolarHBondContact O-N 3.13Å; V280-R283 PolarHBondContact O-N 3.39Å; V280-Q284 WeakPolarHBondContact O-CG 3.31Å; V280-Q284 PolarHBondContact O-N 2.67Å
281L50.8Low45.8Very low121 Ų121101 Ų10163%0.63451%0.507SS*.Hα-helixtrans-65.2-40.9176.8-156.180.8000111.3S277 V278 Q284 F285S277-L281 WeakPolarHBondContact O-CB 3.35Å; S277-L281 PolarHBondContact O-N 3.35Å; S277-L281 VanDerWaalsContact O-N 3.16Å; V278-L281 PolarHBondContact O-N 3.18Å; L281-Q284 PolarHBondContact O-N 3.48Å; L281-F285 VanDerWaalsContact O-CB 3.28Å; L281-F285 WeakPolarHBondContact O-CB 3.41Å; L281-F285 PolarHBondContact O-N 3.39Å
282L52.8Low46.5Very low65 Ų6597.3 Ų97.334%0.3450%0.501SS..Hα-helixtrans-65.3-40176.2-161.877.2000111.5V278 F285 W286V278-L282 VanDerWaalsContact O-CB 3.27Å; V278-L282 WeakPolarHBondContact O-CB 3.27Å; V278-L282 PolarHBondContact O-N 2.81Å; L282-F285 PolarHBondContact O-N 2.9Å; L282-W286 HydrophobicContact CD1-CZ2 4.36Å; L282-W286 HydrophobicContact CD2-CH2 3.43Å; L282-W286 VanDerWaalsContact CD2-CH2 3.43Å; L282-W286 HydrophobicContact CD2-CZ2 3.42Å; L282-W286 VanDerWaalsContact CD2-CZ2 3.42Å; L282-W286 HydrophobicContact CD2-CZ3 4.03Å; L282-W286 HydrophobicContact CG-CD2 4.18Å; L282-W286 HydrophobicContact CG-CE3 4.48Å; L282-W286 HydrophobicContact CG-CH2 4.08Å; L282-W286 HydrophobicContact CG-CZ2 3.73Å; L282-W286 HydrophobicContact CG-CZ3 4.43Å; L282-W286 WeakPolarHBondContact O-CB 3.47Å; L282-W286 VanDerWaalsContact O-CG 3.24Å; L282-W286 PolarHBondContact O-N 3.03Å
283R53.2Low47.1Very low125 Ų125102.9 Ų102.947%0.47253%0.529SS..Hα-helixtrans-66.1-40.8173.5-78-178.9-175.2162.37.1112.4N279 V280 W286 Q287N279-R283 WeakPolarHBondContact O-CB 3.4Å; N279-R283 VanDerWaalsContact O-CG 3.29Å; N279-R283 WeakPolarHBondContact O-CG 3.1Å; N279-R283 PolarHBondContact O-N 3.01Å; V280-R283 PolarHBondContact O-N 3.39Å; R283-W286 PolarHBondContact O-N 2.71Å; R283-Q287 WeakPolarHBondContact O-CB 3.02Å; R283-Q287 VanDerWaalsContact O-CG 3.26Å; R283-Q287 WeakPolarHBondContact O-CG 3.39Å; R283-Q287 PolarHBondContact O-N 2.86Å
284Q53.5Low47.8Very low107 Ų107107.1 Ų107.150%0.555%0.547SS..Hα-helixtrans-65.8-40.3174.6-77.2-178.9-19.600111.5V280 L281 Q287 L288V280-Q284 WeakPolarHBondContact O-CG 3.31Å; V280-Q284 PolarHBondContact O-N 2.67Å; L281-Q284 PolarHBondContact O-N 3.48Å; Q284-Q287 PolarHBondContact O-N 3.36Å; Q284-L288 WeakPolarHBondContact O-CG 3.34Å; Q284-L288 PolarHBondContact O-N 3.46Å
285F55Low48.2Very low117 Ų117105.1 Ų105.151%0.51355%0.545SS..Hα-helixtrans-59.7-47.6173-178.1-95.1000110.9L281 L282 Q287 L288 D289L281-F285 VanDerWaalsContact O-CB 3.28Å; L281-F285 WeakPolarHBondContact O-CB 3.41Å; L281-F285 PolarHBondContact O-N 3.39Å; L282-F285 PolarHBondContact O-N 2.9Å; F285-Q287 PolarHBondContact O-N 3.04Å; F285-L288 PolarHBondContact O-N 3.21Å; F285-D289 PolarHBondContact O-N 3.42Å
286W56.2Low48.8Very low148 Ų148108.3 Ų108.356%0.56156%0.56SS**Hα-helixtrans-68-30.9175.4-68-20.9000113.8L282 R283 L288 D289 A290L282-W286 HydrophobicContact CD1-CZ2 4.36Å; L282-W286 HydrophobicContact CD2-CH2 3.43Å; L282-W286 VanDerWaalsContact CD2-CH2 3.43Å; L282-W286 HydrophobicContact CD2-CZ2 3.42Å; L282-W286 VanDerWaalsContact CD2-CZ2 3.42Å; L282-W286 HydrophobicContact CD2-CZ3 4.03Å; L282-W286 HydrophobicContact CG-CD2 4.18Å; L282-W286 HydrophobicContact CG-CE3 4.48Å; L282-W286 HydrophobicContact CG-CH2 4.08Å; L282-W286 HydrophobicContact CG-CZ2 3.73Å; L282-W286 HydrophobicContact CG-CZ3 4.43Å; L282-W286 WeakPolarHBondContact O-CB 3.47Å; L282-W286 VanDerWaalsContact O-CG 3.24Å; L282-W286 PolarHBondContact O-N 3.03Å; R283-W286 PolarHBondContact O-N 2.71Å; W286-L288 VanDerWaalsContact C-N 3.32Å; W286-D289 PolarHBondContact O-N 2.75Å; W286-A290 WeakPolarHBondContact O-CA 3.42Å; W286-A290 WeakPolarHBondContact O-CB 3.49Å; W286-A290 PolarHBondContact O-N 3.36Å
287Q52.9Low49.4Very low129 Ų129107.7 Ų107.760%0.60356%0.557SS**Hα-helixtrans-68.2-33.4173.2-81.5175.4-20.900111.8R283 Q284 F285R283-Q287 WeakPolarHBondContact O-CB 3.02Å; R283-Q287 VanDerWaalsContact O-CG 3.26Å; R283-Q287 WeakPolarHBondContact O-CG 3.39Å; R283-Q287 PolarHBondContact O-N 2.86Å; Q284-Q287 PolarHBondContact O-N 3.36Å; F285-Q287 PolarHBondContact O-N 3.04Å
288L51.1Low48.8Very low139 Ų139111.6 Ų111.673%0.72857%0.571SS**Hα-helixtrans-72.9-38.8172.8-72.5167.6000111.9Q284 F285 W286Q284-L288 WeakPolarHBondContact O-CG 3.34Å; Q284-L288 PolarHBondContact O-N 3.46Å; F285-L288 PolarHBondContact O-N 3.21Å; W286-L288 VanDerWaalsContact C-N 3.32Å
289D52.4Low48.7Very low116 Ų116112.3 Ų112.362%0.6257%0.572SS**Hα-helixtrans-72.7-28.9175.1-98.2-2.3000112.8F285 W286 I291F285-D289 PolarHBondContact O-N 3.42Å; W286-D289 PolarHBondContact O-N 2.75Å; D289-I291 PolarHBondContact O-N 3.24Å
290A46.9Very low48.1Very low34 Ų34112.3 Ų112.328%0.28159%0.586SS.*  trans-82.657.8177.100000111.4W286 G292 I293W286-A290 WeakPolarHBondContact O-CA 3.42Å; W286-A290 WeakPolarHBondContact O-CB 3.49Å; W286-A290 PolarHBondContact O-N 3.36Å; A290-G292 PolarHBondContact O-N 3.06Å; A290-I293 HydrophobicContact CB-CB 4.38Å; A290-I293 PolarHBondContact O-N 3.26Å
291I43.8Very low47.9Very low102 Ų102111.9 Ų111.952%0.52359%0.586SS.*THydrogen-bonded Turntrans-55115.7168.6-57.3176.8000108.1D289 L432 V433D289-I291 PolarHBondContact O-N 3.24Å; I291-L432 HydrophobicContact CG2-CB 4.32Å; I291-L432 HydrophobicContact CG2-CD2 4.11Å; I291-V433 HydrophobicContact CG2-CG2 4.08Å; I291-V433 WeakPolarHBondContact O-CG2 3.48Å
292G47.6Very low47.8Very low41 Ų41107.2 Ų107.242%0.42356%0.563SS.*THydrogen-bonded Turntrans84.717.2173.400000117.4A290 D431A290-G292 PolarHBondContact O-N 3.06Å; G292-D431 VanDerWaalsContact CA-OD1 3.25Å; G292-D431 WeakPolarHBondContact CA-OD1 3.03Å
293I48.9Very low47.7Very low131 Ų131108.5 Ų108.567%0.67256%0.564SS**  trans-127.356.2-177.1-39.4176.3000112.3A290A290-I293 HydrophobicContact CB-CB 4.38Å; A290-I293 PolarHBondContact O-N 3.26Å
294I47.8Very low47.6Very low137 Ų137103.3 Ų103.370%0.70355%0.547SS*.  trans-112130.5169-52.9177.8000107.8E296I294-E296 PolarHBondContact O-N 3.03Å
295P43.1Very low47.5Very low88 Ų88102 Ų10257%0.57154%0.542SS*.  trans-60.3135.4176.723.9-31.6000110E297P295-E297 PolarHBondContact O-N 3.42Å
296E43.8Very low47.5Very low188 Ų188104.5 Ų104.588%0.87955%0.547SS*.  trans-51.8107.3168.1-71.4-180171.900107.9I294 N298I294-E296 PolarHBondContact O-N 3.03Å; E296-N298 PolarHBondContact O-N 3.44Å
297E46.1Very low47.4Very low163 Ų163100.7 Ų100.776%0.76253%0.533SS*.  trans-60.8126.1162-69.1-168163.400105.3P295 N299P295-E297 PolarHBondContact O-N 3.42Å; E297-N299 VanDerWaalsContact C-N 3.31Å; E297-N299 PolarHBondContact O-N 3.34Å
298N37.9Very low47.4Very low166 Ų16696.9 Ų96.989%0.88852%0.521SS*.  trans-50.7104.7170.4-90.9-16.7000106.6E296 G300E296-N298 PolarHBondContact O-N 3.44Å; N298-G300 PolarHBondContact O-N 2.88Å
299N40.6Very low47.5Very low120 Ų12097.1 Ų97.164%0.64252%0.522SS*.  trans-66.471.3169.7-75.4-18.2000106.9E297 S301E297-N299 VanDerWaalsContact C-N 3.31Å; E297-N299 PolarHBondContact O-N 3.34Å; N299-S301 PolarHBondContact O-N 3.45Å
300G36.8Very low48Very low62 Ų62100 Ų10064%0.63953%0.529SS*.  trans-57.9121.5159.200000105.5N298 S302N298-G300 PolarHBondContact O-N 2.88Å; G300-S302 PolarHBondContact O-N 2.91Å
301S43.9Very low49.2Very low50 Ų50101 Ų10135%0.3553%0.525SS..  trans-30.9106.8-168.1-175.90000112.2N299 E305N299-S301 PolarHBondContact O-N 3.45Å; S301-E305 WeakPolarHBondContact CA-OE2 3.25Å; S301-E305 VanDerWaalsContact CB-OE2 3.27Å; S301-E305 WeakPolarHBondContact CB-OE2 3.35Å; S301-E305 WeakPolarHBondContact OG-CB 3.42Å; S301-E305 PolarHBondContact OG-OE2 2.82Å
302S49.1Very low50.6Low23 Ų2399.6 Ų99.616%0.16152%0.523CS..  trans-56149-172.562.10000109.1G300 A304 E305 R306G300-S302 PolarHBondContact O-N 2.91Å; S302-A304 PolarHBondContact O-N 3.44Å; S302-E305 PolarHBondContact N-OE1 3.34Å; S302-E305 WeakPolarHBondContact O-CB 3.31Å; S302-E305 PolarHBondContact O-N 3.05Å; S302-E305 WeakPolarHBondContact OG-CG 3.46Å; S302-E305 PolarHBondContact OG-N 2.87Å; S302-E305 PolarHBondContact OG-OE1 3.14Å; S302-R306 PolarHBondContact O-N 3.15Å
303R51.3Low52.2Low92 Ų92101.6 Ų101.635%0.34752%0.523SS..Hα-helixtrans-57.6-28.7178.9-168.8174.564.3167.2-1.6111.5R306 Y307 K327 D423R303-R306 PolarHBondContact O-N 3.19Å; R303-Y307 PolarHBondContact O-N 3.29Å; R303-K327 PolarHBondContact NH1-O 3.14Å; R303-D423 IonicContact CZ-OD2 3.3Å; R303-D423 IonicContact NE-OD2 2.69Å; R303-D423 PolarHBondContact NE-OD2 2.71Å; R303-D423 IonicContact NH2-OD2 3.27Å; R303-D423 PolarHBondContact NH2-OD2 3.35Å
304A50.9Low53.8Low16 Ų16101 Ų10113%0.13252%0.518CS..Hα-helixtrans-58.7-46.9169.800000112.7S302 R306 Y307 C308S302-A304 PolarHBondContact O-N 3.44Å; A304-R306 VanDerWaalsContact C-N 3.34Å; A304-R306 PolarHBondContact O-N 2.83Å; A304-Y307 CarbonylContact O-C 3.51Å; A304-Y307 WeakPolarHBondContact O-CA 3.48Å; A304-Y307 WeakPolarHBondContact O-CB 3.37Å; A304-Y307 PolarHBondContact O-N 2.8Å; A304-C308 PolarHBondContact O-N 3.4Å; A304-C308 PolarHBondContact O-SG 2.68Å
305E51.5Low55.6Low81 Ų81100 Ų10038%0.37951%0.508SS..Hα-helixtrans-59.3-43174-75.8159.2-127.800112.2S301 S302 Y307 C308 L309S301-E305 WeakPolarHBondContact CA-OE2 3.25Å; S301-E305 VanDerWaalsContact CB-OE2 3.27Å; S301-E305 WeakPolarHBondContact CB-OE2 3.35Å; S301-E305 WeakPolarHBondContact OG-CB 3.42Å; S301-E305 PolarHBondContact OG-OE2 2.82Å; S302-E305 PolarHBondContact N-OE1 3.34Å; S302-E305 WeakPolarHBondContact O-CB 3.31Å; S302-E305 PolarHBondContact O-N 3.05Å; S302-E305 WeakPolarHBondContact OG-CG 3.46Å; S302-E305 PolarHBondContact OG-N 2.87Å; S302-E305 PolarHBondContact OG-OE1 3.14Å; E305-Y307 PolarHBondContact O-N 3.1Å; E305-C308 PolarHBondContact O-N 2.8Å; E305-L309 PolarHBondContact O-N 3.21Å
306R55.4Low57.5Low168 Ų16899.9 Ų99.963%0.63450%0.503SS*.Hα-helixtrans-63.4-28174.7-64.6-173.6-170.3-179.71.4112.9S302 R303 A304S302-R306 PolarHBondContact O-N 3.15Å; R303-R306 PolarHBondContact O-N 3.19Å; A304-R306 VanDerWaalsContact C-N 3.34Å; A304-R306 PolarHBondContact O-N 2.83Å
307Y53.4Low59.3Low68 Ų6893.5 Ų93.527%0.26749%0.488SS..Hα-helixtrans-78.8-42177.1-136.5-90.9000111.3R303 A304 E305 L309 K310 R311 W326R303-Y307 PolarHBondContact O-N 3.29Å; A304-Y307 CarbonylContact O-C 3.51Å; A304-Y307 WeakPolarHBondContact O-CA 3.48Å; A304-Y307 WeakPolarHBondContact O-CB 3.37Å; A304-Y307 PolarHBondContact O-N 2.8Å; E305-Y307 PolarHBondContact O-N 3.1Å; Y307-L309 PolarHBondContact O-N 3.08Å; Y307-K310 PolarHBondContact O-N 3.16Å; Y307-R311 PolarHBondContact O-N 3.13Å; Y307-R311 VanDerWaalsContact O-N 3.12Å; Y307-W326 HydrophobicContact CE1-CB 4.46Å; Y307-W326 WeakPolarHBondContact CE2-O 3.48Å
308C52.2Low61Low50 Ų5093.6 Ų93.634%0.33849%0.488SS..Hα-helixtrans-59.3-31.6171.6-69.40000112.2A304 E305 K310 R311 P312A304-C308 PolarHBondContact O-N 3.4Å; A304-C308 PolarHBondContact O-SG 2.68Å; E305-C308 PolarHBondContact O-N 2.8Å; C308-K310 VanDerWaalsContact C-N 3.26Å; C308-K310 PolarHBondContact O-N 3.25Å; C308-R311 CarbonylContact O-C 3.58Å; C308-R311 VanDerWaalsContact O-C 3.22Å; C308-R311 PolarHBondContact O-N 3.27Å; C308-P312 VanDerWaalsContact O-CA 3.27Å; C308-P312 WeakPolarHBondContact O-CA 3.43Å
309L54.4Low63.1Low143 Ų14387.6 Ų87.675%0.74945%0.453SS*.THydrogen-bonded Turntrans-63.3-28.1172.4-79.1166.4000113.6E305 Y307E305-L309 PolarHBondContact O-N 3.21Å; Y307-L309 PolarHBondContact O-N 3.08Å
310K63.4Low65.1Low176 Ų17685.8 Ų85.877%0.76544%0.438SS*.THydrogen-bonded Turntrans-90.5-28.6179.2-67-172179.2-175.30113.4Y307 C308Y307-K310 PolarHBondContact O-N 3.16Å; C308-K310 VanDerWaalsContact C-N 3.26Å; C308-K310 PolarHBondContact O-N 3.25Å
311R70.8Confident67.3Low56 Ų5683.7 Ų83.721%0.21141%0.412CS..SBendtrans-134.588.5177-59.9-173.689.7167.924.5107.6Y307 C308 P323 Q460 E462 D463Y307-R311 PolarHBondContact O-N 3.13Å; Y307-R311 VanDerWaalsContact O-N 3.12Å; C308-R311 CarbonylContact O-C 3.58Å; C308-R311 VanDerWaalsContact O-C 3.22Å; C308-R311 PolarHBondContact O-N 3.27Å; R311-P323 HydrophobicContact CB-CB 3.95Å; R311-P323 HydrophobicContact CB-CG 3.87Å; R311-P323 WeakPolarHBondContact O-CG 3.43Å; R311-Q460 VanDerWaalsContact NE-OE1 3.12Å; R311-E462 IonicContact CZ-OE2 2.91Å; R311-E462 IonicContact NH2-OE1 2.7Å; R311-E462 PolarHBondContact NH2-OE1 3.06Å; R311-E462 IonicContact NH2-OE2 3.9Å; R311-E462 PolarHBondContact NH2-OE2 2.98Å; R311-D463 IonicContact NH1-OD1 3.66Å; R311-D463 IonicContact NH1-OD2 2.93Å; R311-D463 PolarHBondContact NH1-OD2 3.02Å
312P74.4Confident69.3Low73 Ų7381.8 Ų81.847%0.47440%0.399SS..  trans-65.1148.9-172.925.4-32.9000111.4C308 Q460C308-P312 VanDerWaalsContact O-CA 3.27Å; C308-P312 WeakPolarHBondContact O-CA 3.43Å; P312-Q460 PolarHBondContact O-NE2 3.44Å
313I80.3Confident70.9Confident83 Ų8381.3 Ų81.343%0.42640%0.395SS..  trans-67.3133.4167.7-62.6172.5000107.5Y320 V322I313-Y320 HydrophobicContact CG2-CD1 3.96Å; I313-V322 HydrophobicContact CB-CG1 4.45Å; I313-V322 HydrophobicContact CD1-CG1 4.31Å; I313-V322 HydrophobicContact CG1-CB 4.43Å; I313-V322 HydrophobicContact CG1-CG1 3.99Å; I313-V322 HydrophobicContact CG2-CG1 3.87Å
314Q83.4Confident72.5Confident119 Ų11977.2 Ų77.256%0.55638%0.38SS*.EExtended strand (participates in β ladder)trans-119.5156.6178.3-65.8179-8.300109.8Y320 V321Q314-Y320 CarbonylContact O-C 3.58Å; Q314-Y320 WeakPolarHBondContact O-CA 3.27Å; Q314-V321 PolarHBondContact N-O 3.45Å; Q314-V321 PolarHBondContact O-N 3.36Å
315F84.7Confident73.9Confident114 Ų11478.5 Ų78.550%0.539%0.387SS..EExtended strand (participates in β ladder)trans-115.4121169.9-176.8-108.8000107.7G317 R319 Y320F315-G317 VanDerWaalsContact C-N 3.29Å; F315-G317 VanDerWaalsContact CE1-C 3.41Å; F315-G317 VanDerWaalsContact CE1-CA 3.41Å; F315-G317 WeakPolarHBondContact CE1-O 3.47Å; F315-G317 VanDerWaalsContact CZ-O 3.32Å; F315-G317 WeakPolarHBondContact CZ-O 3.3Å; F315-G317 PolarHBondContact O-N 3.27Å; F315-R319 VanDerWaalsContact CD2-C 3.49Å; F315-R319 VanDerWaalsContact CD2-O 3.32Å; F315-R319 WeakPolarHBondContact CD2-O 3.43Å; F315-Y320 HydrophobicContact CB-CD1 4.04Å; F315-Y320 HydrophobicContact CB-CE1 4Å; F315-Y320 AromaticContact CD2-CD1 3.95Å; F315-Y320 HydrophobicContact CD2-CD1 3.95Å; F315-Y320 HydrophobicContact CD2-CD2 4.12Å; F315-Y320 AromaticContact CD2-CE1 3.99Å; F315-Y320 HydrophobicContact CD2-CE1 3.99Å; F315-Y320 HydrophobicContact CD2-CE2 4.15Å; F315-Y320 HydrophobicContact CD2-CG 4.03Å; F315-Y320 HydrophobicContact CE2-CE2 4.47Å; F315-Y320 HydrophobicContact CG-CD1 4.46Å; F315-Y320 HydrophobicContact CG-CE1 4.31Å
316N82.3Confident75.4Confident87 Ų8774.9 Ų74.947%0.46537%0.37SS..  trans-87.53.8-174.667.39.2000113.7E318 R319 V321 E458N316-E318 PolarHBondContact OD1-N 3.04Å; N316-R319 PolarHBondContact N-O 3.19Å; N316-R319 PolarHBondContact OD1-N 3.48Å; N316-R319 PolarHBondContact OD1-O 2.86Å; N316-R319 VanDerWaalsContact OD1-O 3.06Å; N316-V321 HydrophobicContact CB-CG2 4.01Å; N316-E458 PolarHBondContact ND2-OE2 2.84Å
317G82.1Confident76.4Confident54 Ų5469.6 Ų69.656%0.55735%0.352SS*.SBendtrans107-26.6-17500000113.2F315F315-G317 VanDerWaalsContact C-N 3.29Å; F315-G317 VanDerWaalsContact CE1-C 3.41Å; F315-G317 VanDerWaalsContact CE1-CA 3.41Å; F315-G317 WeakPolarHBondContact CE1-O 3.47Å; F315-G317 VanDerWaalsContact CZ-O 3.32Å; F315-G317 WeakPolarHBondContact CZ-O 3.3Å; F315-G317 PolarHBondContact O-N 3.27Å
318E81.5Confident77.4Confident165 Ų16572 Ų7277%0.77136%0.363SS*.SBendtrans-118.9-42.7177-68.4-172.3164.300112.5N316N316-E318 PolarHBondContact OD1-N 3.04Å
319R82.1Confident78.5Confident39 Ų3978.9 Ų78.915%0.14739%0.388CS..SBendtrans-132.9153.9-172.9-63.5-174.8-176.8160.66.9111.8F315 N316 K370 G371 W372 Q456 E458F315-R319 VanDerWaalsContact CD2-C 3.49Å; F315-R319 VanDerWaalsContact CD2-O 3.32Å; F315-R319 WeakPolarHBondContact CD2-O 3.43Å; N316-R319 PolarHBondContact N-O 3.19Å; N316-R319 PolarHBondContact OD1-N 3.48Å; N316-R319 PolarHBondContact OD1-O 2.86Å; N316-R319 VanDerWaalsContact OD1-O 3.06Å; R319-K370 PolarHBondContact NH2-O 3.1Å; R319-G371 PolarHBondContact NH1-O 2.87Å; R319-W372 VanDerWaalsContact NH2-CD1 3.28Å; R319-Q456 WeakPolarHBondContact CB-O 3.27Å; R319-Q456 VanDerWaalsContact CG-O 3.3Å; R319-Q456 WeakPolarHBondContact CG-O 3.23Å; R319-E458 HydrophobicContact CB-CB 4.38Å
320Y82.7Confident79.6Confident82 Ų8273.3 Ų73.332%0.32236%0.36SS..EExtended strand (participates in β ladder)trans-77.1128.8166.8-73.3-78000109.5I313 Q314 F315 E458I313-Y320 HydrophobicContact CG2-CD1 3.96Å; Q314-Y320 CarbonylContact O-C 3.58Å; Q314-Y320 WeakPolarHBondContact O-CA 3.27Å; F315-Y320 HydrophobicContact CB-CD1 4.04Å; F315-Y320 HydrophobicContact CB-CE1 4Å; F315-Y320 AromaticContact CD2-CD1 3.95Å; F315-Y320 HydrophobicContact CD2-CD1 3.95Å; F315-Y320 HydrophobicContact CD2-CD2 4.12Å; F315-Y320 AromaticContact CD2-CE1 3.99Å; F315-Y320 HydrophobicContact CD2-CE1 3.99Å; F315-Y320 HydrophobicContact CD2-CE2 4.15Å; F315-Y320 HydrophobicContact CD2-CG 4.03Å; F315-Y320 HydrophobicContact CE2-CE2 4.47Å; F315-Y320 HydrophobicContact CG-CD1 4.46Å; F315-Y320 HydrophobicContact CG-CE1 4.31Å; Y320-E458 PolarHBondContact O-N 2.75Å
321V84.5Confident80.3Confident18 Ų1873.5 Ų73.511%0.10936%0.361CS..EExtended strand (participates in β ladder)trans-102.3115.3176-170.80000108.6Q314 N316 E458 Q460Q314-V321 PolarHBondContact N-O 3.45Å; Q314-V321 PolarHBondContact O-N 3.36Å; N316-V321 HydrophobicContact CB-CG2 4.01Å; V321-E458 CarbonylContact C-O 3.27Å; V321-E458 VanDerWaalsContact CA-O 3.26Å; V321-E458 WeakPolarHBondContact CA-O 3.42Å; V321-E458 HydrophobicContact CG2-CB 4.25Å; V321-Q460 HydrophobicContact CG1-CB 4.48Å; V321-Q460 HydrophobicContact CG1-CG 3.8Å
322V84.4Confident80.8Confident11 Ų1171 Ų717%0.06735%0.352CS..EExtended strand (participates in β ladder)trans-121.6148.3-173.2-52.80000111.5I313 I457 E458 L459 Q460I313-V322 HydrophobicContact CB-CG1 4.45Å; I313-V322 HydrophobicContact CD1-CG1 4.31Å; I313-V322 HydrophobicContact CG1-CB 4.43Å; I313-V322 HydrophobicContact CG1-CG1 3.99Å; I313-V322 HydrophobicContact CG2-CG1 3.87Å; V322-I457 HydrophobicContact CB-CG2 4.44Å; V322-I457 HydrophobicContact CG1-CG2 3.89Å; V322-I457 HydrophobicContact CG2-CG2 3.66Å; V322-E458 PolarHBondContact N-O 3.4Å; V322-L459 HydrophobicContact CG2-CD2 3.85Å; V322-L459 VanDerWaalsContact O-CA 3.3Å; V322-L459 WeakPolarHBondContact O-CA 3.47Å; V322-L459 WeakPolarHBondContact O-CD2 3.38Å; V322-Q460 PolarHBondContact O-N 3.41Å
323P83.5Confident81.3Confident12 Ų1269 Ų698%0.07834%0.338CS..  trans-81.3160.1168.435.4-37.9000111.3R311 D463R311-P323 HydrophobicContact CB-CB 3.95Å; R311-P323 HydrophobicContact CB-CG 3.87Å; R311-P323 WeakPolarHBondContact O-CG 3.43Å; P323-D463 WeakPolarHBondContact CA-OD2 3.45Å
324L84.4Confident81.4Confident6 Ų669.7 Ų69.73%0.03134%0.343CS..  trans-72.9133.9167.4-78.7169.9000110.9W326 L422 L459 D463 F466 F467L324-W326 HydrophobicContact CB-CD2 4.27Å; L324-W326 HydrophobicContact CB-CG 4.45Å; L324-W326 HydrophobicContact CB-CZ2 4.02Å; L324-W326 HydrophobicContact CD1-CH2 3.99Å; L324-W326 HydrophobicContact CD1-CZ2 3.36Å; L324-W326 HydrophobicContact CG-CZ2 4.33Å; L324-W326 VanDerWaalsContact O-CD1 3.28Å; L324-W326 PolarHBondContact O-N 3.19Å; L324-L422 HydrophobicContact CB-CD2 3.87Å; L324-L422 HydrophobicContact CD1-CD2 4.43Å; L324-L422 HydrophobicContact CD2-CD1 4.06Å; L324-L422 HydrophobicContact CD2-CD2 3.93Å; L324-L422 HydrophobicContact CG-CD2 4.27Å; L324-L459 HydrophobicContact CD1-CD1 3.68Å; L324-L459 HydrophobicContact CD2-CD1 3.88Å; L324-L459 HydrophobicContact CD2-CD2 3.97Å; L324-L459 HydrophobicContact CG-CD1 3.53Å; L324-L459 HydrophobicContact CG-CD2 3.83Å; L324-L459 HydrophobicContact CG-CG 4.37Å; L324-D463 HydrophobicContact CB-CB 4.23Å; L324-D463 HydrophobicContact CD1-CB 3.84Å; L324-D463 HydrophobicContact CG-CB 3.98Å; L324-D463 PolarHBondContact N-OD2 2.92Å; L324-F466 HydrophobicContact CD1-CB 4.22Å; L324-F466 HydrophobicContact CD1-CD2 4.46Å; L324-F467 HydrophobicContact CD1-CD2 4.12Å; L324-F467 HydrophobicContact CD1-CE2 3.63Å; L324-F467 HydrophobicContact CD2-CE2 3.63Å; L324-F467 HydrophobicContact CD2-CZ 4Å; L324-F467 HydrophobicContact CG-CE2 4.21Å
325P81.1Confident81.6Confident43 Ų4364 Ų6428%0.27932%0.317SS..  trans-79.170.9-17933.3-36.8000110.5K327 D423P325-K327 PolarHBondContact O-N 2.9Å; P325-D423 HydrophobicContact CB-CB 4.16Å; P325-D423 WeakPolarHBondContact CG-O 3.37Å; P325-D423 WeakPolarHBondContact O-CB 3.48Å; P325-D423 PolarHBondContact O-N 3.23Å
326W82.9Confident81.4Confident5 Ų562.5 Ų62.52%0.01931%0.308CS..BIsolated β-bridgetrans-64.2131.4-176.7-66.5110.4000112.6Y307 L324 F328 P330 L418 L421 L422 D463 F466Y307-W326 HydrophobicContact CE1-CB 4.46Å; Y307-W326 WeakPolarHBondContact CE2-O 3.48Å; L324-W326 HydrophobicContact CB-CD2 4.27Å; L324-W326 HydrophobicContact CB-CG 4.45Å; L324-W326 HydrophobicContact CB-CZ2 4.02Å; L324-W326 HydrophobicContact CD1-CH2 3.99Å; L324-W326 HydrophobicContact CD1-CZ2 3.36Å; L324-W326 HydrophobicContact CG-CZ2 4.33Å; L324-W326 VanDerWaalsContact O-CD1 3.28Å; L324-W326 PolarHBondContact O-N 3.19Å; W326-F328 VanDerWaalsContact C-N 3.34Å; W326-P330 HydrophobicContact CD2-CB 4.08Å; W326-P330 HydrophobicContact CD2-CG 3.93Å; W326-P330 HydrophobicContact CE3-CB 3.87Å; W326-P330 HydrophobicContact CE3-CG 4.25Å; W326-P330 HydrophobicContact CG-CG 4.4Å; W326-P330 HydrophobicContact CH2-CB 3.93Å; W326-P330 HydrophobicContact CH2-CG 4.37Å; W326-P330 HydrophobicContact CZ2-CB 4.12Å; W326-P330 HydrophobicContact CZ2-CG 4.04Å; W326-P330 HydrophobicContact CZ3-CB 3.8Å; W326-P330 HydrophobicContact CZ3-CG 4.47Å; W326-L418 HydrophobicContact CH2-CD1 3.68Å; W326-L418 HydrophobicContact CZ3-CD1 3.99Å; W326-L421 HydrophobicContact CE3-CB 3.93Å; W326-L421 HydrophobicContact CZ3-CB 3.73Å; W326-L421 HydrophobicContact CZ3-CD1 4.26Å; W326-L422 HydrophobicContact CD2-CD2 3.99Å; W326-L422 HydrophobicContact CE3-CD2 3.62Å; W326-L422 HydrophobicContact CH2-CD2 4.14Å; W326-L422 HydrophobicContact CZ2-CD2 4.46Å; W326-L422 HydrophobicContact CZ3-CD2 3.7Å; W326-L422 HydrophobicContact CZ3-CG 4.37Å; W326-D463 PolarHBondContact NE1-OD1 3.26Å; W326-F466 HydrophobicContact CH2-CB 4.15Å; W326-F466 AromaticContact CH2-CD1 3.7Å; W326-F466 HydrophobicContact CH2-CD1 3.7Å; W326-F466 HydrophobicContact CH2-CD2 4.06Å; W326-F466 AromaticContact CH2-CE1 4Å; W326-F466 HydrophobicContact CH2-CE1 4Å; W326-F466 HydrophobicContact CH2-CE2 4.36Å; W326-F466 AromaticContact CH2-CG 3.69Å; W326-F466 HydrophobicContact CH2-CG 3.69Å; W326-F466 HydrophobicContact CH2-CZ 4.31Å; W326-F466 HydrophobicContact CZ2-CB 4.22Å; W326-F466 AromaticContact CZ2-CD1 3.95Å; W326-F466 HydrophobicContact CZ2-CD1 3.95Å; W326-F466 AromaticContact CZ2-CD2 3.47Å; W326-F466 HydrophobicContact CZ2-CD2 3.47Å; W326-F466 VanDerWaalsContact CZ2-CD2 3.47Å; W326-F466 HydrophobicContact CZ2-CE1 4.09Å; W326-F466 AromaticContact CZ2-CE2 3.65Å; W326-F466 HydrophobicContact CZ2-CE2 3.65Å; W326-F466 AromaticContact CZ2-CG 3.6Å; W326-F466 HydrophobicContact CZ2-CG 3.6Å; W326-F466 AromaticContact CZ2-CZ 3.94Å; W326-F466 HydrophobicContact CZ2-CZ 3.94Å
327K76.4Confident81.3Confident58 Ų5861.6 Ų61.625%0.25231%0.313SS..SBendtrans-68.3-37.2172.4-63.5-162.2179.2110.70112.4R303 P325 D420 L421 L422 D423R303-K327 PolarHBondContact NH1-O 3.14Å; P325-K327 PolarHBondContact O-N 2.9Å; K327-D420 PolarHBondContact NZ-O 2.83Å; K327-L421 WeakPolarHBondContact CB-O 3.32Å; K327-L421 WeakPolarHBondContact CG-O 3.39Å; K327-L421 PolarHBondContact N-O 3.19Å; K327-L422 WeakPolarHBondContact CE-O 3.27Å; K327-L422 PolarHBondContact NZ-O 2.88Å; K327-D423 HydrophobicContact CG-CB 4.22Å
328F73Confident81.5Confident117 Ų11761.4 Ų61.451%0.51330%0.296SS..SBendtrans-150.1163.3-178-51.2-76.7000107.9W326 P330W326-F328 VanDerWaalsContact C-N 3.34Å; F328-P330 WeakPolarHBondContact O-CD 3.38Å; F328-P330 VanDerWaalsContact O-N 3.11Å
329K77.1Confident81.4Confident195 Ų19553.8 Ų53.885%0.84826%0.261SS*.SBendtrans-54.9119.6176.1-168.4173.8-175.6174.70109.8K331K329-K331 PolarHBondContact O-N 3.06Å
330P75.9Confident81.4Confident27 Ų2754.2 Ų54.218%0.17527%0.266CS..  trans-66.5135.8-170.924.9-33.9000111.6W326 F328 F466W326-P330 HydrophobicContact CD2-CB 4.08Å; W326-P330 HydrophobicContact CD2-CG 3.93Å; W326-P330 HydrophobicContact CE3-CB 3.87Å; W326-P330 HydrophobicContact CE3-CG 4.25Å; W326-P330 HydrophobicContact CG-CG 4.4Å; W326-P330 HydrophobicContact CH2-CB 3.93Å; W326-P330 HydrophobicContact CH2-CG 4.37Å; W326-P330 HydrophobicContact CZ2-CB 4.12Å; W326-P330 HydrophobicContact CZ2-CG 4.04Å; W326-P330 HydrophobicContact CZ3-CB 3.8Å; W326-P330 HydrophobicContact CZ3-CG 4.47Å; F328-P330 WeakPolarHBondContact O-CD 3.38Å; F328-P330 VanDerWaalsContact O-N 3.11Å; P330-F466 HydrophobicContact CB-CE1 3.74Å; P330-F466 HydrophobicContact CB-CZ 3.74Å; P330-F466 HydrophobicContact CG-CE1 4.04Å; P330-F466 HydrophobicContact CG-CE2 4.21Å; P330-F466 HydrophobicContact CG-CZ 3.48Å; P330-F466 VanDerWaalsContact CG-CZ 3.48Å
331K79.1Confident81.4Confident179 Ų17955.1 Ų55.178%0.77827%0.273SS*.  trans-138.787166.6-85.3-167.6175.2-172.30108.1K329K329-K331 PolarHBondContact O-N 3.06Å
332L81.4Confident81.6Confident5 Ų557.6 Ų57.63%0.02628%0.281CS..  trans-96.1135.8179.5-78.6164.3000110.8G383 W386 L416 L418 L421 F466L332-G383 PolarHBondContact N-O 3.29Å; L332-G383 WeakPolarHBondContact O-CA 3.11Å; L332-W386 HydrophobicContact CB-CD2 4.42Å; L332-W386 HydrophobicContact CB-CE3 3.68Å; L332-W386 HydrophobicContact CB-CZ3 4.12Å; L332-W386 HydrophobicContact CD1-CB 3.98Å; L332-W386 HydrophobicContact CD1-CD2 4.08Å; L332-W386 HydrophobicContact CD1-CE3 4.16Å; L332-W386 HydrophobicContact CD1-CG 4.06Å; L332-W386 HydrophobicContact CD2-CD2 4.23Å; L332-W386 HydrophobicContact CD2-CE3 3.8Å; L332-W386 HydrophobicContact CD2-CH2 4.08Å; L332-W386 HydrophobicContact CD2-CZ3 3.71Å; L332-W386 HydrophobicContact CG-CD2 4.47Å; L332-W386 HydrophobicContact CG-CE3 4.07Å; L332-W386 HydrophobicContact CG-CZ3 4.42Å; L332-L416 HydrophobicContact CD2-CB 4.44Å; L332-L418 HydrophobicContact CD1-CD1 4Å; L332-L421 HydrophobicContact CD1-CD1 3.87Å; L332-L421 HydrophobicContact CD2-CD1 3.43Å; L332-L421 VanDerWaalsContact CD2-CD1 3.43Å; L332-L421 HydrophobicContact CD2-CG 4.39Å; L332-L421 HydrophobicContact CG-CD1 3.44Å; L332-L421 VanDerWaalsContact CG-CD1 3.44Å; L332-F466 HydrophobicContact CD1-CD1 3.72Å; L332-F466 HydrophobicContact CD1-CE1 4.12Å
333P83.5Confident81.5Confident29 Ų2957.7 Ų57.719%0.18828%0.281CS..  trans-69.4148.6173.427.8-31.7000110.5N335 W386 Y413 Q414P333-N335 PolarHBondContact O-N 3.18Å; P333-W386 HydrophobicContact CG-CZ3 4.11Å; P333-W386 VanDerWaalsContact O-CZ3 3.29Å; P333-W386 WeakPolarHBondContact O-CZ3 3.34Å; P333-Y413 HydrophobicContact CB-CD1 4.42Å; P333-Y413 HydrophobicContact CB-CE1 4.33Å; P333-Y413 HydrophobicContact CG-CD1 4.05Å; P333-Y413 HydrophobicContact CG-CE1 4.43Å; P333-Q414 HydrophobicContact CG-CB 4.4Å
334N83.1Confident81.5Confident98 Ų9860 Ų6052%0.52429%0.29SS..  trans-64111.6175.2-175.5-19.8000110.1Y336 Y413N334-Y336 WeakPolarHBondContact OD1-CB 3.31Å; N334-Y336 PolarHBondContact OD1-N 2.78Å; N334-Y413 VanDerWaalsContact O-CE1 3.26Å; N334-Y413 WeakPolarHBondContact O-CE1 3.24Å
335N87.4Confident81.6Confident0 Ų063.9 Ų63.90%031%0.308CS..  trans-102.913.1-177.875.5-26.3000113.2P333 A337 Y338 A339 W386 Y387 Y413P333-N335 PolarHBondContact O-N 3.18Å; N335-A337 VanDerWaalsContact C-N 3.34Å; N335-A337 PolarHBondContact O-N 3.25Å; N335-Y338 WeakPolarHBondContact O-CB 3.39Å; N335-Y338 PolarHBondContact O-N 2.86Å; N335-A339 PolarHBondContact O-N 2.91Å; N335-W386 HydrophobicContact CB-CE3 3.98Å; N335-W386 HydrophobicContact CB-CH2 4.14Å; N335-W386 HydrophobicContact CB-CZ3 3.79Å; N335-W386 VanDerWaalsContact ND2-CE2 3.27Å; N335-Y387 PolarHBondContact ND2-O 2.86Å; N335-Y387 WeakPolarHBondContact OD1-CB 3.37Å; N335-Y387 PolarHBondContact OD1-N 3.27Å; N335-Y413 HydrophobicContact CB-CD1 3.44Å; N335-Y413 VanDerWaalsContact CB-CD1 3.44Å; N335-Y413 HydrophobicContact CB-CD2 4.5Å; N335-Y413 HydrophobicContact CB-CE1 4.02Å; N335-Y413 HydrophobicContact CB-CG 3.72Å
336Y81.2Confident81.8Confident82 Ų8262.3 Ų62.332%0.32230%0.297SS..Hα-helixtrans-48.2-51.7-177.1179.6-89.8000112.9N334 Y338 A339 L340 Y387 M470N334-Y336 WeakPolarHBondContact OD1-CB 3.31Å; N334-Y336 PolarHBondContact OD1-N 2.78Å; Y336-Y338 PolarHBondContact O-N 2.89Å; Y336-A339 PolarHBondContact O-N 2.77Å; Y336-A339 VanDerWaalsContact O-N 3.15Å; Y336-L340 HydrophobicContact CE1-CD2 4.16Å; Y336-L340 WeakPolarHBondContact O-CB 3.41Å; Y336-L340 PolarHBondContact O-N 3.12Å; Y336-Y387 HydrophobicContact CD2-CD1 4.17Å; Y336-Y387 HydrophobicContact CD2-CD2 4.17Å; Y336-Y387 AromaticContact CD2-CE1 3.74Å; Y336-Y387 HydrophobicContact CD2-CE1 3.74Å; Y336-Y387 AromaticContact CD2-CE2 3.76Å; Y336-Y387 HydrophobicContact CD2-CE2 3.76Å; Y336-Y387 HydrophobicContact CD2-CG 4.37Å; Y336-Y387 AromaticContact CD2-CZ 3.54Å; Y336-Y387 HydrophobicContact CE2-CE1 4.2Å; Y336-Y387 HydrophobicContact CG-CE2 4.34Å; Y336-M470 HydrophobicContact CD1-CE 3.92Å; Y336-M470 HydrophobicContact CD2-CE 3.19Å; Y336-M470 HydrophobicContact CE1-CE 3.88Å; Y336-M470 HydrophobicContact CE2-CE 3.17Å; Y336-M470 HydrophobicContact CE2-CG 4.37Å; Y336-M470 HydrophobicContact CE2-SD 4Å; Y336-M470 HydrophobicContact CG-CE 3.58Å; Y336-M470 WeakPolarHBondContact O-CE 3.33Å
337A80.4Confident81.7Confident68 Ų6863.3 Ų63.356%0.56230%0.303SS*.Hα-helixtrans-60-35.3-178.300000112.6N335 Q341N335-A337 VanDerWaalsContact C-N 3.34Å; N335-A337 PolarHBondContact O-N 3.25Å; A337-Q341 WeakPolarHBondContact O-CB 3.48Å; A337-Q341 PolarHBondContact O-N 3.29Å; A337-Q341 VanDerWaalsContact O-N 3.1Å
338Y86.2Confident82Confident50 Ų5066.2 Ų66.220%0.19631%0.312CS..Hα-helixtrans-71.9-43.7176.8169.9-107.4000111.7N335 Y336 L340 Q341 R342 P389 A411 Y413N335-Y338 WeakPolarHBondContact O-CB 3.39Å; N335-Y338 PolarHBondContact O-N 2.86Å; Y336-Y338 PolarHBondContact O-N 2.89Å; Y338-L340 VanDerWaalsContact C-N 3.35Å; Y338-Q341 PolarHBondContact O-N 3.05Å; Y338-R342 HydrophobicContact CE1-CG 4.35Å; Y338-R342 HydrophobicContact CE2-CG 4.07Å; Y338-R342 WeakPolarHBondContact O-CG 3.44Å; Y338-R342 PolarHBondContact O-N 2.89Å; Y338-R342 VanDerWaalsContact O-N 3.08Å; Y338-P389 HydrophobicContact CD1-CG 4.33Å; Y338-P389 HydrophobicContact CE1-CG 3.82Å; Y338-A411 HydrophobicContact CE1-CB 4.12Å; Y338-Y413 HydrophobicContact CD1-CD2 4.38Å; Y338-Y413 AromaticContact CG-CD2 3.96Å; Y338-Y413 HydrophobicContact CG-CD2 3.96Å
339A79.6Confident82.6Confident6 Ų665.8 Ų65.85%0.0531%0.311CS..Hα-helixtrans-63.8-39.617600000112N335 Y336 R342 L343 Y387 M470N335-A339 PolarHBondContact O-N 2.91Å; Y336-A339 PolarHBondContact O-N 2.77Å; Y336-A339 VanDerWaalsContact O-N 3.15Å; A339-R342 WeakPolarHBondContact O-CB 3.48Å; A339-R342 PolarHBondContact O-N 2.96Å; A339-L343 PolarHBondContact O-N 3.41Å; A339-Y387 VanDerWaalsContact CB-CB 3.44Å; A339-Y387 HydrophobicContact CB-CG 4.44Å; A339-M470 HydrophobicContact CB-CE 4.11Å
340L81.3Confident82.8Confident47 Ų4757 Ų5725%0.24627%0.274CS..Hα-helixtrans-61.2-47174.5-178.759000111.3Y336 Y338 R342 L343 E344 M470Y336-L340 HydrophobicContact CE1-CD2 4.16Å; Y336-L340 WeakPolarHBondContact O-CB 3.41Å; Y336-L340 PolarHBondContact O-N 3.12Å; Y338-L340 VanDerWaalsContact C-N 3.35Å; L340-R342 PolarHBondContact O-N 2.68Å; L340-L343 WeakPolarHBondContact O-CB 3.37Å; L340-L343 PolarHBondContact O-N 2.79Å; L340-L343 VanDerWaalsContact O-N 3.1Å; L340-E344 HydrophobicContact CD1-CG 4.4Å; L340-E344 WeakPolarHBondContact O-CG 3.13Å; L340-E344 PolarHBondContact O-N 3.01Å; L340-M470 HydrophobicContact CB-CE 3.64Å; L340-M470 HydrophobicContact CB-SD 3.65Å; L340-M470 HydrophobicContact CD1-SD 3.61Å; L340-M470 HydrophobicContact CG-SD 4.18Å
341Q83.2Confident83.1Confident101 Ų10161.1 Ų61.147%0.47229%0.291SS..Hα-helixtrans-58-40.5177.3-173.7-174.317.700111.7A337 Y338 Q345A337-Q341 WeakPolarHBondContact O-CB 3.48Å; A337-Q341 PolarHBondContact O-N 3.29Å; A337-Q341 VanDerWaalsContact O-N 3.1Å; Y338-Q341 PolarHBondContact O-N 3.05Å; Q341-Q345 VanDerWaalsContact O-CG 3.27Å; Q341-Q345 WeakPolarHBondContact O-CG 3.34Å; Q341-Q345 PolarHBondContact O-N 3.43Å; Q341-Q345 VanDerWaalsContact O-N 3.13Å
342R87.8Confident83.5Confident71 Ų7161 Ų6127%0.26829%0.29SS..Hα-helixtrans-65.9-40176.4-72.6-75.6-64.9-125.2-8.6111.9Y338 A339 L340 Q345 L346 P389 D408Y338-R342 HydrophobicContact CE1-CG 4.35Å; Y338-R342 HydrophobicContact CE2-CG 4.07Å; Y338-R342 WeakPolarHBondContact O-CG 3.44Å; Y338-R342 PolarHBondContact O-N 2.89Å; Y338-R342 VanDerWaalsContact O-N 3.08Å; A339-R342 WeakPolarHBondContact O-CB 3.48Å; A339-R342 PolarHBondContact O-N 2.96Å; L340-R342 PolarHBondContact O-N 2.68Å; R342-Q345 PolarHBondContact O-N 3.49Å; R342-L346 PolarHBondContact O-N 3.36Å; R342-L346 VanDerWaalsContact O-N 3.08Å; R342-P389 HydrophobicContact CB-CB 3.96Å; R342-P389 HydrophobicContact CG-CB 4.06Å; R342-P389 HydrophobicContact CG-CG 4.36Å; R342-D408 IonicContact NH2-OD2 3.2Å; R342-D408 PolarHBondContact NH2-OD2 3.03Å
343L82.1Confident83.8Confident13 Ų1364.5 Ų64.57%0.06831%0.305CS..Hα-helixtrans-63.6-48.6175.3173.959.8000111.6A339 L340 Q345 L346 E347 M470 V472A339-L343 PolarHBondContact O-N 3.41Å; L340-L343 WeakPolarHBondContact O-CB 3.37Å; L340-L343 PolarHBondContact O-N 2.79Å; L340-L343 VanDerWaalsContact O-N 3.1Å; L343-Q345 PolarHBondContact O-N 3.07Å; L343-L346 WeakPolarHBondContact O-CA 3.2Å; L343-L346 WeakPolarHBondContact O-CB 3.39Å; L343-L346 PolarHBondContact O-N 3.28Å; L343-E347 HydrophobicContact CD1-CG 4.18Å; L343-E347 HydrophobicContact CG-CG 4.49Å; L343-E347 WeakPolarHBondContact O-CG 3.49Å; L343-E347 PolarHBondContact O-N 2.82Å; L343-M470 HydrophobicContact CD2-CB 3.6Å; L343-V472 HydrophobicContact CD1-CG2 3.62Å
344E83.7Confident83.8Confident59 Ų5967.2 Ų67.228%0.27632%0.322SS..Hα-helixtrans-61.1-33.5178.5-69-179.6167.700112.4L340 R348L340-E344 HydrophobicContact CD1-CG 4.4Å; L340-E344 WeakPolarHBondContact O-CG 3.13Å; L340-E344 PolarHBondContact O-N 3.01Å; E344-R348 WeakPolarHBondContact O-CG 3.45Å; E344-R348 PolarHBondContact O-N 3.13Å; E344-R348 VanDerWaalsContact O-N 3.1Å; E344-R348 PolarHBondContact O-NE 2.72Å; E344-R348 IonicContact OE2-NH1 3.9Å
345Q87Confident83.9Confident88 Ų8867.6 Ų67.641%0.41133%0.325SS..Hα-helixtrans-65.8-43173-74.2172.90.400111.8Q341 R342 L343 Q349Q341-Q345 VanDerWaalsContact O-CG 3.27Å; Q341-Q345 WeakPolarHBondContact O-CG 3.34Å; Q341-Q345 PolarHBondContact O-N 3.43Å; Q341-Q345 VanDerWaalsContact O-N 3.13Å; R342-Q345 PolarHBondContact O-N 3.49Å; L343-Q345 PolarHBondContact O-N 3.07Å; Q345-Q349 WeakPolarHBondContact O-CB 3.4Å; Q345-Q349 PolarHBondContact O-N 3.44Å
346L84.4Confident83.8Confident10 Ų1070.4 Ų70.45%0.05234%0.338CS..Hα-helixtrans-62.3-44.6175.5179.167.4000111.1R342 L343 Q349 M350 Y360 H391R342-L346 PolarHBondContact O-N 3.36Å; R342-L346 VanDerWaalsContact O-N 3.08Å; L343-L346 WeakPolarHBondContact O-CA 3.2Å; L343-L346 WeakPolarHBondContact O-CB 3.39Å; L343-L346 PolarHBondContact O-N 3.28Å; L346-Q349 WeakPolarHBondContact O-CB 3.45Å; L346-Q349 PolarHBondContact O-N 3.05Å; L346-Q349 VanDerWaalsContact O-N 3.15Å; L346-M350 HydrophobicContact CD1-CE 3.85Å; L346-M350 HydrophobicContact CD1-CG 4.27Å; L346-M350 HydrophobicContact CG-CG 4.39Å; L346-M350 WeakPolarHBondContact O-CB 3.26Å; L346-M350 VanDerWaalsContact O-CG 3.3Å; L346-M350 WeakPolarHBondContact O-CG 3.23Å; L346-M350 PolarHBondContact O-N 3.34Å; L346-Y360 HydrophobicContact CD2-CE1 4.34Å; L346-Y360 HydrophobicContact CD2-CE2 4.02Å; L346-H391 HydrophobicContact CD1-CB 4.37Å
347E81.4Confident84Confident27 Ų2768.7 Ų68.713%0.12633%0.331CS..Hα-helixtrans-60.1-50.6178.3-71.1-177.3139.600111.7L343 Q349 M350 E351 W476L343-E347 HydrophobicContact CD1-CG 4.18Å; L343-E347 HydrophobicContact CG-CG 4.49Å; L343-E347 WeakPolarHBondContact O-CG 3.49Å; L343-E347 PolarHBondContact O-N 2.82Å; E347-Q349 PolarHBondContact O-N 2.97Å; E347-M350 PolarHBondContact O-N 2.79Å; E347-E351 PolarHBondContact O-N 3.48Å; E347-W476 PolarHBondContact OE1-NE1 3.34Å
348R83.3Confident84.2Confident118 Ų11873.6 Ų73.645%0.44534%0.335SS..Hα-helixtrans-59-31.2175-74.2-175-67.7-101.6-4.3113.1E344E344-R348 WeakPolarHBondContact O-CG 3.45Å; E344-R348 PolarHBondContact O-N 3.13Å; E344-R348 VanDerWaalsContact O-N 3.1Å; E344-R348 PolarHBondContact O-NE 2.72Å; E344-R348 IonicContact OE2-NH1 3.9Å
349Q84.9Confident84.2Confident108 Ų10873.6 Ų73.651%0.50534%0.337SS..Hα-helixtrans-73.5-38.9175.1-174.8179.7-8.400111.4Q345 L346 E347 K352Q345-Q349 WeakPolarHBondContact O-CB 3.4Å; Q345-Q349 PolarHBondContact O-N 3.44Å; L346-Q349 WeakPolarHBondContact O-CB 3.45Å; L346-Q349 PolarHBondContact O-N 3.05Å; L346-Q349 VanDerWaalsContact O-N 3.15Å; E347-Q349 PolarHBondContact O-N 2.97Å; Q349-K352 PolarHBondContact O-N 2.59Å
350M82.5Confident84.5Confident11 Ų1173.6 Ų73.65%0.05434%0.336CS..Hα-helixtrans-74.5-29.9-179.4-73.1-61.8175.500113.4L346 E347 K352 K353 E356 R357 Y360 A392L346-M350 HydrophobicContact CD1-CE 3.85Å; L346-M350 HydrophobicContact CD1-CG 4.27Å; L346-M350 HydrophobicContact CG-CG 4.39Å; L346-M350 WeakPolarHBondContact O-CB 3.26Å; L346-M350 VanDerWaalsContact O-CG 3.3Å; L346-M350 WeakPolarHBondContact O-CG 3.23Å; L346-M350 PolarHBondContact O-N 3.34Å; E347-M350 PolarHBondContact O-N 2.79Å; M350-K352 PolarHBondContact O-N 3.19Å; M350-K353 CarbonylContact O-C 3.29Å; M350-K353 VanDerWaalsContact O-C 3.29Å; M350-K353 WeakPolarHBondContact O-CA 3.48Å; M350-K353 PolarHBondContact O-N 2.83Å; M350-E356 HydrophobicContact SD-CB 4.14Å; M350-R357 HydrophobicContact CB-CB 4.04Å; M350-R357 HydrophobicContact CB-CG 4.1Å; M350-Y360 HydrophobicContact CE-CG 4.48Å; M350-A392 HydrophobicContact CE-CB 3.47Å; M350-A392 VanDerWaalsContact CE-CB 3.47Å
351E81.9Confident84.7Confident114 Ų11474.2 Ų74.253%0.53334%0.339SS..Hα-helixtrans-54.2-36.1171-79.6175.4173.600112.2E347 K353E347-E351 PolarHBondContact O-N 3.48Å; E351-K353 PolarHBondContact O-N 2.81Å
352K87.5Confident84.9Confident175 Ų17572.2 Ų72.276%0.76134%0.34SS*.THydrogen-bonded Turntrans-74-8.2178.5-58.2178.7-174.4-178.70113.1Q349 M350Q349-K352 PolarHBondContact O-N 2.59Å; M350-K352 PolarHBondContact O-N 3.19Å
353K87.4Confident84.7Confident80 Ų8069.2 Ų69.235%0.34833%0.33SS..  trans-14176.6-170-58.2-167.4-178.3-171.30112.2M350 E351 N355 E356 R357M350-K353 CarbonylContact O-C 3.29Å; M350-K353 VanDerWaalsContact O-C 3.29Å; M350-K353 WeakPolarHBondContact O-CA 3.48Å; M350-K353 PolarHBondContact O-N 2.83Å; E351-K353 PolarHBondContact O-N 2.81Å; K353-N355 VanDerWaalsContact C-N 3.32Å; K353-N355 PolarHBondContact O-N 3.34Å; K353-E356 HydrophobicContact CB-CB 3.99Å; K353-E356 HydrophobicContact CB-CG 4.33Å; K353-E356 HydrophobicContact CD-CB 4.44Å; K353-E356 HydrophobicContact CD-CG 4.22Å; K353-E356 WeakPolarHBondContact CD-OE1 3.4Å; K353-E356 WeakPolarHBondContact CD-OE2 3.43Å; K353-E356 VanDerWaalsContact NZ-CD 3.26Å; K353-E356 IonicContact NZ-OE1 2.71Å; K353-E356 PolarHBondContact NZ-OE1 2.89Å; K353-E356 IonicContact NZ-OE2 2.67Å; K353-E356 PolarHBondContact NZ-OE2 3Å; K353-E356 PolarHBondContact O-N 3.06Å; K353-R357 WeakPolarHBondContact O-CB 3.35Å; K353-R357 PolarHBondContact O-N 3.26Å
354P84.4Confident84.8Confident85 Ų8569.4 Ų69.455%0.55233%0.331SS*.Hα-helixtrans-58.4-36.6-170.5-24.833.3000114.9R358P354-R358 PolarHBondContact O-N 2.99Å
355N84.5Confident84.8Confident107 Ų10769.8 Ų69.857%0.57233%0.332SS*.Hα-helixtrans-72.8-44.1179.6-67.4-14.5000111.8K353 R357 R358 M359K353-N355 VanDerWaalsContact C-N 3.32Å; K353-N355 PolarHBondContact O-N 3.34Å; N355-R357 VanDerWaalsContact C-N 3.28Å; N355-R357 PolarHBondContact O-N 2.92Å; N355-R358 PolarHBondContact O-N 2.75Å; N355-R358 PolarHBondContact OD1-NH2 3.38Å; N355-M359 WeakPolarHBondContact O-CG 3.32Å; N355-M359 PolarHBondContact O-N 3.3Å; N355-M359 VanDerWaalsContact O-N 3.15Å
356E85.8Confident84.7Confident59 Ų5969.5 Ų69.528%0.27633%0.331SS..Hα-helixtrans-62.5-39.2174.7-69.1-174.5-154.800110.8M350 K353 M359 Y360 I394M350-E356 HydrophobicContact SD-CB 4.14Å; K353-E356 HydrophobicContact CB-CB 3.99Å; K353-E356 HydrophobicContact CB-CG 4.33Å; K353-E356 HydrophobicContact CD-CB 4.44Å; K353-E356 HydrophobicContact CD-CG 4.22Å; K353-E356 WeakPolarHBondContact CD-OE1 3.4Å; K353-E356 WeakPolarHBondContact CD-OE2 3.43Å; K353-E356 VanDerWaalsContact NZ-CD 3.26Å; K353-E356 IonicContact NZ-OE1 2.71Å; K353-E356 PolarHBondContact NZ-OE1 2.89Å; K353-E356 IonicContact NZ-OE2 2.67Å; K353-E356 PolarHBondContact NZ-OE2 3Å; K353-E356 PolarHBondContact O-N 3.06Å; E356-M359 PolarHBondContact O-N 3.11Å; E356-Y360 WeakPolarHBondContact O-CB 3.26Å; E356-Y360 PolarHBondContact O-N 2.83Å; E356-I394 HydrophobicContact CB-CD1 3.4Å; E356-I394 VanDerWaalsContact CB-CD1 3.4Å; E356-I394 HydrophobicContact CG-CD1 3.53Å
357R84.3Confident84.6Confident45 Ų4570.1 Ų70.117%0.1733%0.333CS..Hα-helixtrans-57.9-49.9174.1-175.9177.1178-121.4-8.9112M350 K353 N355 M359 Y360 I361 W476 E479M350-R357 HydrophobicContact CB-CB 4.04Å; M350-R357 HydrophobicContact CB-CG 4.1Å; K353-R357 WeakPolarHBondContact O-CB 3.35Å; K353-R357 PolarHBondContact O-N 3.26Å; N355-R357 VanDerWaalsContact C-N 3.28Å; N355-R357 PolarHBondContact O-N 2.92Å; R357-M359 VanDerWaalsContact C-N 3.33Å; R357-M359 PolarHBondContact O-N 2.86Å; R357-Y360 PolarHBondContact O-N 3.18Å; R357-I361 HydrophobicContact CG-CD1 3.97Å; R357-I361 WeakPolarHBondContact O-CG1 3.24Å; R357-I361 PolarHBondContact O-N 2.8Å; R357-W476 VanDerWaalsContact NH2-CD2 3.31Å; R357-W476 VanDerWaalsContact NH2-CZ3 3.25Å; R357-E479 IonicContact CZ-OE2 2.93Å; R357-E479 VanDerWaalsContact CZ-OE2 3.3Å; R357-E479 IonicContact NH1-OE1 2.73Å; R357-E479 IonicContact NH1-OE2 3.23Å; R357-E479 PolarHBondContact NH1-OE2 3.4Å; R357-E479 IonicContact NH2-OE2 2.82Å; R357-E479 PolarHBondContact NH2-OE2 2.74Å
358R85.8Confident84.6Confident171 Ų17171 Ų7165%0.64534%0.34SS*.Hα-helixtrans-57.2-45.1176.6-90.6-173.2-77177.4-5.5112.3P354 N355 Y360 I361 A362P354-R358 PolarHBondContact O-N 2.99Å; N355-R358 PolarHBondContact O-N 2.75Å; N355-R358 PolarHBondContact OD1-NH2 3.38Å; R358-Y360 VanDerWaalsContact C-N 3.34Å; R358-Y360 PolarHBondContact O-N 2.79Å; R358-I361 PolarHBondContact O-N 3.43Å; R358-A362 WeakPolarHBondContact O-CB 3.35Å; R358-A362 PolarHBondContact O-N 2.7Å
359M85.8Confident84.7Confident50 Ų5071 Ų7125%0.24635%0.349CS..Hα-helixtrans-63.8-40.1178.2-66.6-179.773.200112.7N355 E356 R357 A363 I394 K401 C403N355-M359 WeakPolarHBondContact O-CG 3.32Å; N355-M359 PolarHBondContact O-N 3.3Å; N355-M359 VanDerWaalsContact O-N 3.15Å; E356-M359 PolarHBondContact O-N 3.11Å; R357-M359 VanDerWaalsContact C-N 3.33Å; R357-M359 PolarHBondContact O-N 2.86Å; M359-A363 WeakPolarHBondContact O-CB 3.43Å; M359-A363 PolarHBondContact O-N 3.21Å; M359-I394 HydrophobicContact CE-CG2 4.13Å; M359-I394 HydrophobicContact SD-CG2 4.07Å; M359-K401 VanDerWaalsContact CE-C 3.41Å; M359-K401 HydrophobicContact CE-CB 3.59Å; M359-K401 WeakPolarHBondContact CE-O 3.27Å; M359-K401 HydrophobicContact SD-CB 3.92Å; M359-C403 HydrophobicContact CB-CB 3.9Å; M359-C403 HydrophobicContact CE-CB 4.01Å
360Y86.4Confident84.6Confident6 Ų669.4 Ų69.42%0.02434%0.34CS..Hα-helixtrans-65.5-44.5177.6167.8-100.5000112L346 M350 E356 R357 R358 A363 M364 H390 A392 V405 V472L346-Y360 HydrophobicContact CD2-CE1 4.34Å; L346-Y360 HydrophobicContact CD2-CE2 4.02Å; M350-Y360 HydrophobicContact CE-CG 4.48Å; E356-Y360 WeakPolarHBondContact O-CB 3.26Å; E356-Y360 PolarHBondContact O-N 2.83Å; R357-Y360 PolarHBondContact O-N 3.18Å; R358-Y360 VanDerWaalsContact C-N 3.34Å; R358-Y360 PolarHBondContact O-N 2.79Å; Y360-A363 PolarHBondContact O-N 2.81Å; Y360-M364 HydrophobicContact CE1-CG 4.47Å; Y360-M364 HydrophobicContact CE2-CE 3.87Å; Y360-M364 HydrophobicContact CE2-CG 4.18Å; Y360-M364 PolarHBondContact O-N 2.99Å; Y360-M364 WeakPolarHBondContact OH-CE 3.47Å; Y360-H390 PolarHBondContact OH-CE1 3.38Å; Y360-H390 PolarHBondContact OH-ND1 3.24Å; Y360-H390 VanDerWaalsContact OH-ND1 3.09Å; Y360-A392 HydrophobicContact CD2-CB 3.65Å; Y360-A392 HydrophobicContact CE2-CB 4.46Å; Y360-A392 HydrophobicContact CG-CB 4.27Å; Y360-V405 HydrophobicContact CD2-CG2 3.98Å; Y360-V405 HydrophobicContact CE2-CG1 4.33Å; Y360-V405 HydrophobicContact CE2-CG2 3.99Å; Y360-V472 HydrophobicContact CE1-CB 4.47Å; Y360-V472 HydrophobicContact CE1-CG2 3.69Å; Y360-V472 VanDerWaalsContact OH-CG2 3.23Å; Y360-V472 WeakPolarHBondContact OH-CG2 3Å
361I85Confident84.6Confident61 Ų6171 Ų7131%0.31336%0.36SS..Hα-helixtrans-62.1-46175.8-67.1169.1000110.5R357 R358 A363 M364 Q365R357-I361 HydrophobicContact CG-CD1 3.97Å; R357-I361 WeakPolarHBondContact O-CG1 3.24Å; R357-I361 PolarHBondContact O-N 2.8Å; R358-I361 PolarHBondContact O-N 3.43Å; I361-A363 VanDerWaalsContact C-N 3.32Å; I361-A363 PolarHBondContact O-N 2.67Å; I361-M364 PolarHBondContact O-N 3.1Å; I361-Q365 PolarHBondContact O-N 3.02Å
362A86.5Confident84.6Confident59 Ų5966.3 Ų66.349%0.48834%0.337SS..Hα-helixtrans-59.9-41177.300000112.3R358 Q365 E366R358-A362 WeakPolarHBondContact O-CB 3.35Å; R358-A362 PolarHBondContact O-N 2.7Å; A362-Q365 PolarHBondContact O-N 3.02Å; A362-E366 PolarHBondContact O-N 3.06Å
363A85.2Confident84.2Confident8 Ų858.6 Ų58.67%0.06630%0.304CS..Hα-helixtrans-65.7-38.2176.600000112.6M359 Y360 I361 Y367 C403 V405M359-A363 WeakPolarHBondContact O-CB 3.43Å; M359-A363 PolarHBondContact O-N 3.21Å; Y360-A363 PolarHBondContact O-N 2.81Å; I361-A363 VanDerWaalsContact C-N 3.32Å; I361-A363 PolarHBondContact O-N 2.67Å; A363-Y367 WeakPolarHBondContact O-CD1 3.31Å; A363-Y367 PolarHBondContact O-N 2.71Å; A363-C403 HydrophobicContact CB-CB 4.44Å; A363-V405 HydrophobicContact CB-CG2 4.01Å
364M83.3Confident83.8Confident16 Ų1658.4 Ų58.48%0.07931%0.305CS..Hα-helixtrans-67.1-38.9173.7-75.6-64.7-157.400111.9Y360 I361 Y367 V368 V405Y360-M364 HydrophobicContact CE1-CG 4.47Å; Y360-M364 HydrophobicContact CE2-CE 3.87Å; Y360-M364 HydrophobicContact CE2-CG 4.18Å; Y360-M364 PolarHBondContact O-N 2.99Å; Y360-M364 WeakPolarHBondContact OH-CE 3.47Å; I361-M364 PolarHBondContact O-N 3.1Å; M364-Y367 WeakPolarHBondContact O-CB 3.46Å; M364-Y367 PolarHBondContact O-N 3.02Å; M364-Y367 HydrophobicContact SD-CD2 4.34Å; M364-V368 PolarHBondContact O-N 3.05Å; M364-V405 HydrophobicContact CE-CB 4.5Å; M364-V405 HydrophobicContact CE-CG1 3.5Å; M364-V405 VanDerWaalsContact CE-CG1 3.5Å; M364-V405 HydrophobicContact CE-CG2 4.32Å; M364-V405 HydrophobicContact CG-CG2 4.23Å; M364-V405 HydrophobicContact SD-CG1 4.05Å; M364-V405 HydrophobicContact SD-CG2 4.11Å
365Q83Confident83.4Confident67 Ų6758.1 Ų58.131%0.31330%0.296SS..Hα-helixtrans-64.9-41.2176.5-170.859.947.100111.4I361 A362 Y367 V368 D369I361-Q365 PolarHBondContact O-N 3.02Å; A362-Q365 PolarHBondContact O-N 3.02Å; Q365-Y367 PolarHBondContact O-N 2.69Å; Q365-V368 WeakPolarHBondContact O-CA 3.13Å; Q365-V368 WeakPolarHBondContact O-CB 3.28Å; Q365-V368 PolarHBondContact O-N 3.38Å; Q365-D369 PolarHBondContact NE2-OD1 2.97Å; Q365-D369 VanDerWaalsContact O-CG 3.24Å; Q365-D369 PolarHBondContact O-N 2.75Å
366E84.8Confident82.9Confident82 Ų8253.7 Ų53.738%0.38327%0.273SS..Hα-helixtrans-56-37174.7-175.5-175169.800111.8A362 V368 D369 K370 W372A362-E366 PolarHBondContact O-N 3.06Å; E366-V368 VanDerWaalsContact C-N 3.35Å; E366-D369 PolarHBondContact O-N 3.21Å; E366-K370 HydrophobicContact CG-CD 3.98Å; E366-K370 HydrophobicContact CG-CG 4.37Å; E366-K370 VanDerWaalsContact O-CB 3.31Å; E366-K370 WeakPolarHBondContact O-CB 3.3Å; E366-K370 WeakPolarHBondContact O-CG 3.27Å; E366-K370 PolarHBondContact O-N 2.9Å; E366-K370 WeakPolarHBondContact OE1-CE 3.17Å; E366-K370 IonicContact OE1-NZ 2.71Å; E366-K370 PolarHBondContact OE1-NZ 3.27Å; E366-W372 HydrophobicContact CG-CZ3 4.47Å
367Y83.6Confident82.2Confident23 Ų2355.9 Ų55.99%0.0928%0.283CS..Hα-helixtrans-64.7-42.4177.5-64.91.3000111A363 M364 Q365 G371 W372 V373 V405 F407 L455A363-Y367 WeakPolarHBondContact O-CD1 3.31Å; A363-Y367 PolarHBondContact O-N 2.71Å; M364-Y367 WeakPolarHBondContact O-CB 3.46Å; M364-Y367 PolarHBondContact O-N 3.02Å; M364-Y367 HydrophobicContact SD-CD2 4.34Å; Q365-Y367 PolarHBondContact O-N 2.69Å; Y367-G371 PolarHBondContact O-N 3.46Å; Y367-W372 AromaticContact CD1-CE3 3.4Å; Y367-W372 HydrophobicContact CD1-CE3 3.4Å; Y367-W372 AromaticContact CD1-CZ3 3.62Å; Y367-W372 HydrophobicContact CD1-CZ3 3.62Å; Y367-W372 AromaticContact CE1-CE3 3.96Å; Y367-W372 HydrophobicContact CE1-CE3 3.96Å; Y367-W372 AromaticContact CE1-CZ3 3.84Å; Y367-W372 HydrophobicContact CE1-CZ3 3.84Å; Y367-W372 HydrophobicContact CG-CE3 4.06Å; Y367-W372 PolarHBondContact O-N 2.97Å; Y367-V373 WeakPolarHBondContact O-CG2 3.29Å; Y367-V405 HydrophobicContact CE2-CB 3.91Å; Y367-V405 HydrophobicContact CE2-CG1 4.46Å; Y367-V405 HydrophobicContact CE2-CG2 4.35Å; Y367-V405 PolarHBondContact OH-O 3.41Å; Y367-F407 HydrophobicContact CD2-CE2 4.35Å; Y367-F407 HydrophobicContact CD2-CZ 4.32Å; Y367-F407 AromaticContact CE2-CE2 3.77Å; Y367-F407 HydrophobicContact CE2-CE2 3.77Å; Y367-F407 HydrophobicContact CE2-CZ 4.05Å; Y367-L455 HydrophobicContact CE1-CD1 3.94Å
368V81.3Confident81.2Confident47 Ų4758.9 Ų58.929%0.28531%0.308SS..Hα-helixtrans-63.9-49.8176-177.90000110.6M364 Q365 E366 K370 G371 V373 I473 L505M364-V368 PolarHBondContact O-N 3.05Å; Q365-V368 WeakPolarHBondContact O-CA 3.13Å; Q365-V368 WeakPolarHBondContact O-CB 3.28Å; Q365-V368 PolarHBondContact O-N 3.38Å; E366-V368 VanDerWaalsContact C-N 3.35Å; V368-K370 VanDerWaalsContact C-N 3.3Å; V368-K370 PolarHBondContact O-N 3.42Å; V368-G371 PolarHBondContact O-N 2.77Å; V368-V373 HydrophobicContact CB-CG2 4.5Å; V368-V373 HydrophobicContact CG2-CG2 4.07Å; V368-I473 HydrophobicContact CG2-CD1 4.1Å; V368-L505 HydrophobicContact CG2-CD1 3.51Å; V368-L505 HydrophobicContact CG2-CD2 4.16Å
369D84.8Confident80Confident117 Ų11753.1 Ų53.163%0.62630%0.295SS*.Hα-helixtrans-63.5-36-176.1-62.7-14.9000112.1Q365 E366 G371Q365-D369 PolarHBondContact NE2-OD1 2.97Å; Q365-D369 VanDerWaalsContact O-CG 3.24Å; Q365-D369 PolarHBondContact O-N 2.75Å; E366-D369 PolarHBondContact O-N 3.21Å; D369-G371 PolarHBondContact O-N 3.47Å
370K83Confident78.6Confident74 Ų7457.4 Ų57.432%0.32232%0.323SS..THydrogen-bonded Turntrans-80.61.2176.2-70.8-174.4172.1174.90113.6R319 E366 V368 W372 E451R319-K370 PolarHBondContact NH2-O 3.1Å; E366-K370 HydrophobicContact CG-CD 3.98Å; E366-K370 HydrophobicContact CG-CG 4.37Å; E366-K370 VanDerWaalsContact O-CB 3.31Å; E366-K370 WeakPolarHBondContact O-CB 3.3Å; E366-K370 WeakPolarHBondContact O-CG 3.27Å; E366-K370 PolarHBondContact O-N 2.9Å; E366-K370 WeakPolarHBondContact OE1-CE 3.17Å; E366-K370 IonicContact OE1-NZ 2.71Å; E366-K370 PolarHBondContact OE1-NZ 3.27Å; V368-K370 VanDerWaalsContact C-N 3.3Å; V368-K370 PolarHBondContact O-N 3.42Å; K370-W372 HydrophobicContact CB-CD2 3.71Å; K370-W372 HydrophobicContact CB-CE3 4.12Å; K370-W372 HydrophobicContact CB-CG 4.04Å; K370-W372 HydrophobicContact CB-CZ2 4.29Å; K370-W372 HydrophobicContact CD-CD2 4.11Å; K370-W372 HydrophobicContact CD-CE3 4.05Å; K370-W372 HydrophobicContact CD-CH2 3.26Å; K370-W372 HydrophobicContact CD-CZ2 3.31Å; K370-W372 HydrophobicContact CD-CZ3 3.64Å; K370-W372 HydrophobicContact CG-CZ2 4.42Å; K370-W372 PolarHBondContact O-N 3.08Å; K370-E451 IonicContact NZ-OE1 2.64Å
371G81.8Confident77.6Confident45 Ų4562.4 Ų62.446%0.46435%0.347SS..THydrogen-bonded Turntrans5831.3-176.100000112R319 Y367 V368 D369 V373R319-G371 PolarHBondContact NH1-O 2.87Å; Y367-G371 PolarHBondContact O-N 3.46Å; V368-G371 PolarHBondContact O-N 2.77Å; D369-G371 PolarHBondContact O-N 3.47Å; G371-V373 PolarHBondContact O-N 3.38Å
372W81.8Confident76.6Confident16 Ų1668.5 Ų68.56%0.06137%0.374CS..SBendtrans-78-8.9173.9-69.9-30.1000112.2R319 E366 Y367 K370 A452 L455 H506R319-W372 VanDerWaalsContact NH2-CD1 3.28Å; E366-W372 HydrophobicContact CG-CZ3 4.47Å; Y367-W372 AromaticContact CD1-CE3 3.4Å; Y367-W372 HydrophobicContact CD1-CE3 3.4Å; Y367-W372 AromaticContact CD1-CZ3 3.62Å; Y367-W372 HydrophobicContact CD1-CZ3 3.62Å; Y367-W372 AromaticContact CE1-CE3 3.96Å; Y367-W372 HydrophobicContact CE1-CE3 3.96Å; Y367-W372 AromaticContact CE1-CZ3 3.84Å; Y367-W372 HydrophobicContact CE1-CZ3 3.84Å; Y367-W372 HydrophobicContact CG-CE3 4.06Å; Y367-W372 PolarHBondContact O-N 2.97Å; K370-W372 HydrophobicContact CB-CD2 3.71Å; K370-W372 HydrophobicContact CB-CE3 4.12Å; K370-W372 HydrophobicContact CB-CG 4.04Å; K370-W372 HydrophobicContact CB-CZ2 4.29Å; K370-W372 HydrophobicContact CD-CD2 4.11Å; K370-W372 HydrophobicContact CD-CE3 4.05Å; K370-W372 HydrophobicContact CD-CH2 3.26Å; K370-W372 HydrophobicContact CD-CZ2 3.31Å; K370-W372 HydrophobicContact CD-CZ3 3.64Å; K370-W372 HydrophobicContact CG-CZ2 4.42Å; K370-W372 PolarHBondContact O-N 3.08Å; W372-A452 HydrophobicContact CH2-CB 3.62Å; W372-A452 HydrophobicContact CZ2-CB 3.65Å; W372-L455 HydrophobicContact CD2-CB 3.71Å; W372-L455 HydrophobicContact CD2-CD1 3.97Å; W372-L455 HydrophobicContact CD2-CG 4.33Å; W372-L455 HydrophobicContact CE3-CB 4.11Å; W372-L455 HydrophobicContact CE3-CD1 3.43Å; W372-L455 VanDerWaalsContact CE3-CD1 3.43Å; W372-L455 HydrophobicContact CE3-CG 4.25Å; W372-L455 HydrophobicContact CG-CB 4.02Å; W372-L455 HydrophobicContact CH2-CB 4.33Å; W372-L455 HydrophobicContact CH2-CD1 3.73Å; W372-L455 HydrophobicContact CZ2-CB 3.95Å; W372-L455 HydrophobicContact CZ2-CD1 4.23Å; W372-L455 HydrophobicContact CZ3-CB 4.42Å; W372-L455 HydrophobicContact CZ3-CD1 3.32Å; W372-L455 HydrophobicContact CZ3-CG 4.44Å; W372-L455 PolarHBondContact NE1-O 2.78Å; W372-H506 CarbonylContact C-O 3.6Å
373V80.8Confident75.9Confident12 Ų1266.6 Ų66.67%0.07336%0.36CS..SBendtrans-151.1141.2-171.6-75.80000108.1Y367 V368 G371 L505 H506Y367-V373 WeakPolarHBondContact O-CG2 3.29Å; V368-V373 HydrophobicContact CB-CG2 4.5Å; V368-V373 HydrophobicContact CG2-CG2 4.07Å; G371-V373 PolarHBondContact O-N 3.38Å; V373-L505 HydrophobicContact CB-CB 3.31Å; V373-L505 HydrophobicContact CB-CD1 4.24Å; V373-L505 HydrophobicContact CB-CD2 3.31Å; V373-L505 HydrophobicContact CB-CG 3.69Å; V373-L505 HydrophobicContact CG1-CB 3.64Å; V373-L505 HydrophobicContact CG1-CG 4.48Å; V373-L505 HydrophobicContact CG2-CB 3.93Å; V373-L505 HydrophobicContact CG2-CD1 3.89Å; V373-L505 HydrophobicContact CG2-CD2 3.37Å; V373-L505 HydrophobicContact CG2-CG 3.86Å; V373-L505 WeakPolarHBondContact O-CD2 3.44Å; V373-H506 WeakPolarHBondContact CG1-O 3.41Å
374E78.3Confident75.5Confident76 Ų7670.9 Ų70.936%0.35538%0.377SS..  trans-114.9164.6-178.167.3-170.2163.100114.9V376 R464 E504 L505E374-V376 HydrophobicContact CG-CG2 4.07Å; E374-V376 PolarHBondContact O-N 3.22Å; E374-R464 VanDerWaalsContact CD-NH1 3.3Å; E374-R464 WeakPolarHBondContact OE1-CD 3.35Å; E374-R464 IonicContact OE1-CZ 3.95Å; E374-R464 IonicContact OE1-NE 3.33Å; E374-R464 IonicContact OE1-NH1 3.76Å; E374-R464 PolarHBondContact OE1-NH1 3.11Å; E374-R464 IonicContact OE2-NH1 3.28Å; E374-R464 PolarHBondContact OE2-NH1 2.92Å; E374-E504 CarbonylContact O-C 3.17Å; E374-L505 VanDerWaalsContact C-CD2 3.46Å; E374-L505 WeakPolarHBondContact O-CA 3.49Å; E374-L505 WeakPolarHBondContact O-CD2 3.43Å
375E76.6Confident75.4Confident79 Ų7970.8 Ų70.837%0.36938%0.377SS..  trans-73.5120.9166.4174.8145.7-155.600110.7Q501 I503E375-Q501 WeakPolarHBondContact OE1-CB 3.38Å; E375-I503 HydrophobicContact CB-CB 3.89Å; E375-I503 HydrophobicContact CB-CD1 4Å; E375-I503 HydrophobicContact CB-CG1 4.01Å; E375-I503 HydrophobicContact CB-CG2 3.53Å; E375-I503 VanDerWaalsContact CD-CD1 3.43Å; E375-I503 HydrophobicContact CG-CB 3.92Å; E375-I503 HydrophobicContact CG-CD1 4.15Å; E375-I503 HydrophobicContact CG-CG1 3.8Å; E375-I503 HydrophobicContact CG-CG2 4.15Å; E375-I503 WeakPolarHBondContact OE1-CG1 3.41Å; E375-I503 WeakPolarHBondContact OE2-CD1 3.43Å; E375-I503 VanDerWaalsContact OE2-CG1 3.31Å; E375-I503 WeakPolarHBondContact OE2-CG1 3.45Å
376V73.1Confident75.4Confident15 Ų1567.6 Ų67.69%0.09136%0.362CS..  trans-106.3127.8173.6175.80000111.6E374 E504E374-V376 HydrophobicContact CG-CG2 4.07Å; E374-V376 PolarHBondContact O-N 3.22Å; V376-E504 HydrophobicContact CB-CB 4.03Å; V376-E504 VanDerWaalsContact CB-O 3.31Å; V376-E504 WeakPolarHBondContact CB-O 3.44Å; V376-E504 WeakPolarHBondContact CG2-O 3.5Å; V376-E504 PolarHBondContact N-O 3.34Å
377H70.6Confident75.4Confident104 Ų10464.5 Ų64.548%0.48135%0.347SS..  trans-70.6150.1169.6-60.4-56.4000111.5S379 Q501H377-S379 PolarHBondContact O-N 3.42Å; H377-Q501 PolarHBondContact CE1-OE1 3.48Å; H377-Q501 PolarHBondContact ND1-OE1 3.28Å
378P64.4Low75.5Confident108 Ų10863.6 Ų63.670%0.70134%0.344SS*.  trans-59.7104.417623-32.2000110.1
379S59.9Low75.7Confident51 Ų5161.5 Ų61.536%0.35733%0.331SS..  trans-94.2149.2175.1137.60000109.9H377H377-S379 PolarHBondContact O-N 3.42Å
380V56.5Low75.8Confident139 Ų13956.4 Ų56.484%0.84230%0.304SS*.  trans-107.30.7-164.5-1540000112.1E382V380-E382 PolarHBondContact O-N 3.23Å
381E64.9Low75.9Confident111 Ų11156.1 Ų56.152%0.51930%0.303SS..  trans-77.195.1-175.5-71.6-165.1-176.900112.2G383 K384E381-G383 PolarHBondContact O-N 3.29Å; E381-K384 PolarHBondContact O-N 3.1Å; E381-K384 VanDerWaalsContact OE2-CD 3.28Å; E381-K384 WeakPolarHBondContact OE2-CD 3.46Å; E381-K384 VanDerWaalsContact OE2-CE 3.22Å; E381-K384 WeakPolarHBondContact OE2-CE 3.42Å; E381-K384 IonicContact OE2-NZ 3.44Å; E381-K384 PolarHBondContact OE2-NZ 3.1Å
382E65.6Low76.1Confident189 Ų18955 Ų5588%0.88329%0.29SS*.THydrogen-bonded Turntrans-53.2131.8173.1-84.4-171.7158.800112.1V380V380-E382 PolarHBondContact O-N 3.23Å
383G71.2Confident76.3Confident19 Ų1956.3 Ų56.320%0.19630%0.3CS..THydrogen-bonded Turntrans96.2-14.5178.200000115.5L332 E381L332-G383 PolarHBondContact N-O 3.29Å; L332-G383 WeakPolarHBondContact O-CA 3.11Å; E381-G383 PolarHBondContact O-N 3.29Å
384K76.9Confident76.5Confident99 Ų9957.7 Ų57.743%0.4331%0.306SS..SBendtrans-106.2-1.6178.9-66.4-168-172166.20115.2E381 D465 F466E381-K384 PolarHBondContact O-N 3.1Å; E381-K384 VanDerWaalsContact OE2-CD 3.28Å; E381-K384 WeakPolarHBondContact OE2-CD 3.46Å; E381-K384 VanDerWaalsContact OE2-CE 3.22Å; E381-K384 WeakPolarHBondContact OE2-CE 3.42Å; E381-K384 IonicContact OE2-NZ 3.44Å; E381-K384 PolarHBondContact OE2-NZ 3.1Å; K384-D465 CarbonylContact O-C 3.41Å; K384-D465 WeakPolarHBondContact O-CB 3.42Å; K384-F466 HydrophobicContact CB-CE2 4.5Å; K384-F466 HydrophobicContact CB-CZ 4.03Å; K384-F466 HydrophobicContact CG-CZ 4.24Å; K384-F466 WeakPolarHBondContact O-CD1 3.38Å; K384-F466 WeakPolarHBondContact O-CE1 3.4Å
385V80.1Confident76.7Confident13 Ų1363.4 Ų63.48%0.07932%0.324CS..  trans-112.9125.8-172.1177.90000108.9Y387 D465V385-Y387 HydrophobicContact CG1-CD2 4.29Å; V385-Y387 HydrophobicContact CG1-CE2 3.45Å; V385-Y387 VanDerWaalsContact CG1-CE2 3.45Å; V385-D465 WeakPolarHBondContact CA-O 3.31Å
386W84.3Confident76.5Confident0 Ų062 Ų620%033%0.332CS..  trans-142130.8176.1-175.2-96.8000111.8L332 P333 N335 D465 F466 R468L332-W386 HydrophobicContact CB-CD2 4.42Å; L332-W386 HydrophobicContact CB-CE3 3.68Å; L332-W386 HydrophobicContact CB-CZ3 4.12Å; L332-W386 HydrophobicContact CD1-CB 3.98Å; L332-W386 HydrophobicContact CD1-CD2 4.08Å; L332-W386 HydrophobicContact CD1-CE3 4.16Å; L332-W386 HydrophobicContact CD1-CG 4.06Å; L332-W386 HydrophobicContact CD2-CD2 4.23Å; L332-W386 HydrophobicContact CD2-CE3 3.8Å; L332-W386 HydrophobicContact CD2-CH2 4.08Å; L332-W386 HydrophobicContact CD2-CZ3 3.71Å; L332-W386 HydrophobicContact CG-CD2 4.47Å; L332-W386 HydrophobicContact CG-CE3 4.07Å; L332-W386 HydrophobicContact CG-CZ3 4.42Å; P333-W386 HydrophobicContact CG-CZ3 4.11Å; P333-W386 VanDerWaalsContact O-CZ3 3.29Å; P333-W386 WeakPolarHBondContact O-CZ3 3.34Å; N335-W386 HydrophobicContact CB-CE3 3.98Å; N335-W386 HydrophobicContact CB-CH2 4.14Å; N335-W386 HydrophobicContact CB-CZ3 3.79Å; N335-W386 VanDerWaalsContact ND2-CE2 3.27Å; W386-D465 PolarHBondContact N-O 3.18Å; W386-F466 HydrophobicContact CB-CD1 4.45Å; W386-F466 WeakPolarHBondContact CB-O 3.26Å; W386-F466 CarbonylContact O-C 3.6Å; W386-R468 PolarHBondContact O-N 2.88Å
387Y84.4Confident75.9Confident18 Ų1866.4 Ų66.47%0.07136%0.359CS..BIsolated β-bridgetrans-99.1115.9-178-64.9-92.7000110.7N335 Y336 A339 V385 P389 R468 M470 E504N335-Y387 PolarHBondContact ND2-O 2.86Å; N335-Y387 WeakPolarHBondContact OD1-CB 3.37Å; N335-Y387 PolarHBondContact OD1-N 3.27Å; Y336-Y387 HydrophobicContact CD2-CD1 4.17Å; Y336-Y387 HydrophobicContact CD2-CD2 4.17Å; Y336-Y387 AromaticContact CD2-CE1 3.74Å; Y336-Y387 HydrophobicContact CD2-CE1 3.74Å; Y336-Y387 AromaticContact CD2-CE2 3.76Å; Y336-Y387 HydrophobicContact CD2-CE2 3.76Å; Y336-Y387 HydrophobicContact CD2-CG 4.37Å; Y336-Y387 AromaticContact CD2-CZ 3.54Å; Y336-Y387 HydrophobicContact CE2-CE1 4.2Å; Y336-Y387 HydrophobicContact CG-CE2 4.34Å; A339-Y387 VanDerWaalsContact CB-CB 3.44Å; A339-Y387 HydrophobicContact CB-CG 4.44Å; V385-Y387 HydrophobicContact CG1-CD2 4.29Å; V385-Y387 HydrophobicContact CG1-CE2 3.45Å; V385-Y387 VanDerWaalsContact CG1-CE2 3.45Å; Y387-P389 VanDerWaalsContact O-CD 3.29Å; Y387-P389 WeakPolarHBondContact O-CD 3.35Å; Y387-R468 CarbonylContact C-O 3.53Å; Y387-R468 WeakPolarHBondContact CA-O 3.21Å; Y387-R468 HydrophobicContact CD1-CB 3.67Å; Y387-R468 HydrophobicContact CE1-CB 3.73Å; Y387-R468 HydrophobicContact CE1-CG 4.46Å; Y387-R468 HydrophobicContact CG-CB 4.23Å; Y387-M470 HydrophobicContact CD1-CE 4.27Å; Y387-M470 HydrophobicContact CD1-CG 4.39Å; Y387-E504 VanDerWaalsContact CE1-OE1 3.28Å; Y387-E504 WeakPolarHBondContact CE1-OE1 3.41Å; Y387-E504 WeakPolarHBondContact CE1-OE2 3.36Å; Y387-E504 PolarHBondContact OH-OE1 3.24Å; Y387-E504 PolarHBondContact OH-OE2 3.32Å
388L86.1Confident75.5Confident4 Ų468 Ų682%0.02137%0.37CS..  trans-80.1115.6176.6-72.8169.5000110.5F407 L418 F467 R468L388-F407 HydrophobicContact CB-CB 4.29Å; L388-F407 HydrophobicContact CB-CD1 4.37Å; L388-F407 HydrophobicContact CD1-CB 4.22Å; L388-L418 HydrophobicContact CD1-CD2 4.42Å; L388-L418 HydrophobicContact CD2-CD2 3.95Å; L388-F467 HydrophobicContact CD1-CB 4.01Å; L388-F467 HydrophobicContact CD1-CD1 3.33Å; L388-F467 HydrophobicContact CD1-CE1 3.92Å; L388-F467 HydrophobicContact CD1-CG 3.74Å; L388-R468 PolarHBondContact N-O 2.98Å
389P85.1Confident75.3Confident3 Ų368.3 Ų68.32%0.01938%0.375CS..  trans-61.6144.3167.8-18.433.1000109.4Y338 R342 Y387 D408 A411Y338-P389 HydrophobicContact CD1-CG 4.33Å; Y338-P389 HydrophobicContact CE1-CG 3.82Å; R342-P389 HydrophobicContact CB-CB 3.96Å; R342-P389 HydrophobicContact CG-CB 4.06Å; R342-P389 HydrophobicContact CG-CG 4.36Å; Y387-P389 VanDerWaalsContact O-CD 3.29Å; Y387-P389 WeakPolarHBondContact O-CD 3.35Å; P389-D408 WeakPolarHBondContact O-CB 3.01Å; P389-D408 PolarHBondContact O-N 2.79Å; P389-A411 HydrophobicContact CG-CB 3.78Å
390H86.5Confident75.6Confident9 Ų972.7 Ų72.74%0.04239%0.392CS..EExtended strand (participates in β ladder)trans-131.4160.7178.852.872.3000111.7Y360 V405 V406 F407 M470Y360-H390 PolarHBondContact OH-CE1 3.38Å; Y360-H390 PolarHBondContact OH-ND1 3.24Å; Y360-H390 VanDerWaalsContact OH-ND1 3.09Å; H390-V405 HydrophobicContact CB-CG1 4.06Å; H390-V406 WeakPolarHBondContact CA-O 3.47Å; H390-F407 HydrophobicContact CB-CD1 3.7Å; H390-F407 HydrophobicContact CB-CE1 3.91Å; H390-F407 HydrophobicContact CB-CG 4.48Å; H390-F407 AromaticContact CD2-CE1 3.96Å; H390-M470 PolarHBondContact NE2-O 3.5Å
391H85.9Confident76.5Confident69 Ų6969.9 Ų69.932%0.31937%0.368SS..EExtended strand (participates in β ladder)trans-152.7156.217563.3-74.1000110.6L346 V406L346-H391 HydrophobicContact CD1-CB 4.37Å; H391-V406 PolarHBondContact N-O 2.82Å; H391-V406 VanDerWaalsContact N-O 3.1Å; H391-V406 PolarHBondContact O-N 2.99Å
392A85.3Confident77.3Confident22 Ų2271.9 Ų71.918%0.18238%0.375CS..EExtended strand (participates in β ladder)trans-86.5133.2177.400000111.3M350 Y360 I394M350-A392 HydrophobicContact CE-CB 3.47Å; M350-A392 VanDerWaalsContact CE-CB 3.47Å; Y360-A392 HydrophobicContact CD2-CB 3.65Å; Y360-A392 HydrophobicContact CE2-CB 4.46Å; Y360-A392 HydrophobicContact CG-CB 4.27Å; A392-I394 HydrophobicContact CB-CD1 4.5Å; A392-I394 HydrophobicContact CB-CG1 4.4Å
393V86.4Confident78.2Confident43 Ų4364 Ų6426%0.26134%0.341SS..EExtended strand (participates in β ladder)trans-111.1109.8165.8178.60000108.1R395 R404 V406V393-R395 HydrophobicContact CG1-CG 4.1Å; V393-R404 PolarHBondContact N-O 2.78Å; V393-R404 PolarHBondContact O-N 3.26Å; V393-V406 HydrophobicContact CB-CG2 4.33Å; V393-V406 HydrophobicContact CG2-CG2 3.69Å
394I84.8Confident78.9Confident40 Ų4072 Ų7221%0.20537%0.365CS..EExtended strand (participates in β ladder)trans-107.8120.8-178.7-59.5170.6000108.4E356 M359 A392 K401 K402 C403E356-I394 HydrophobicContact CB-CD1 3.4Å; E356-I394 VanDerWaalsContact CB-CD1 3.4Å; E356-I394 HydrophobicContact CG-CD1 3.53Å; M359-I394 HydrophobicContact CE-CG2 4.13Å; M359-I394 HydrophobicContact SD-CG2 4.07Å; A392-I394 HydrophobicContact CB-CD1 4.5Å; A392-I394 HydrophobicContact CB-CG1 4.4Å; I394-K401 HydrophobicContact CG2-CB 4.09Å; I394-K401 HydrophobicContact CG2-CD 4.24Å; I394-K401 HydrophobicContact CG2-CG 4.38Å; I394-K402 WeakPolarHBondContact CA-O 3.45Å; I394-C403 HydrophobicContact CG1-CB 3.99Å
395R81.8Confident79.3Confident196 Ų19667.8 Ų67.874%0.7435%0.348SS*.EExtended strand (participates in β ladder)trans-133.1142.4-179.3-66.7-176.6-179.8-176.91.2110.2V393 K402V393-R395 HydrophobicContact CG1-CG 4.1Å; R395-K402 PolarHBondContact N-O 3.04Å; R395-K402 PolarHBondContact O-N 3.5Å
396G73.1Confident79.5Confident51 Ų5169.9 Ų69.953%0.52636%0.361SS..SBendtrans133166.7177.700000112.9
397T61.3Low79.5Confident107 Ų10771.5 Ų71.566%0.65637%0.368SS*.  trans-79.1158.2168.542.40000110S399 M400 K401T397-S399 VanDerWaalsContact C-N 3.27Å; T397-S399 PolarHBondContact O-N 3.14Å; T397-M400 CarbonylContact O-C 3.54Å; T397-M400 WeakPolarHBondContact O-CA 3.27Å; T397-M400 PolarHBondContact O-N 2.93Å; T397-K401 PolarHBondContact O-N 2.91Å
398D61.7Low79.4Confident136 Ų13672 Ų7273%0.72737%0.372SS*.G310 helixtrans-48.9-37.7-162.7-71.1-37000116K401D398-K401 WeakPolarHBondContact OD1-CE 3.11Å; D398-K401 IonicContact OD1-NZ 3.3Å; D398-K401 PolarHBondContact OD1-NZ 2.82Å
399S59.2Low79.2Confident115 Ų11572.5 Ų72.580%0.80438%0.377SS*.G310 helixtrans-82.7-12.4177.5470000115.4T397T397-S399 VanDerWaalsContact C-N 3.27Å; T397-S399 PolarHBondContact O-N 3.14Å
400M66.9Low79.1Confident143 Ų14376.1 Ų76.170%0.70440%0.403SS*.G310 helixtrans-129.227-179.6-70.1-153.2-170.100113.1T397 K402T397-M400 CarbonylContact O-C 3.54Å; T397-M400 WeakPolarHBondContact O-CA 3.27Å; T397-M400 PolarHBondContact O-N 2.93Å; M400-K402 PolarHBondContact O-N 3.07Å
401K75.9Confident79Confident81 Ų8176 Ų7635%0.35240%0.403SS..  trans-61.5125.9172.2-73-178.4-178.2162.60108.6M359 I394 T397 D398M359-K401 VanDerWaalsContact CE-C 3.41Å; M359-K401 HydrophobicContact CE-CB 3.59Å; M359-K401 WeakPolarHBondContact CE-O 3.27Å; M359-K401 HydrophobicContact SD-CB 3.92Å; I394-K401 HydrophobicContact CG2-CB 4.09Å; I394-K401 HydrophobicContact CG2-CD 4.24Å; I394-K401 HydrophobicContact CG2-CG 4.38Å; T397-K401 PolarHBondContact O-N 2.91Å; D398-K401 WeakPolarHBondContact OD1-CE 3.11Å; D398-K401 IonicContact OD1-NZ 3.3Å; D398-K401 PolarHBondContact OD1-NZ 2.82Å
402K81.5Confident78.9Confident152 Ų15275.7 Ų75.766%0.66141%0.409SS*.EExtended strand (participates in β ladder)trans-110.3133.1170.3-67.2-173.9177.7-173.50108.7I394 R395 M400I394-K402 WeakPolarHBondContact CA-O 3.45Å; R395-K402 PolarHBondContact N-O 3.04Å; R395-K402 PolarHBondContact O-N 3.5Å; M400-K402 PolarHBondContact O-N 3.07Å
403C84.8Confident78.9Confident25 Ų2577.4 Ų77.417%0.16941%0.411CS..EExtended strand (participates in β ladder)trans-97.3133.9172.9-179.40000109.3M359 A363 I394M359-C403 HydrophobicContact CB-CB 3.9Å; M359-C403 HydrophobicContact CE-CB 4.01Å; A363-C403 HydrophobicContact CB-CB 4.44Å; I394-C403 HydrophobicContact CG1-CB 3.99Å
404R85.2Confident78.9Confident186 Ų18682 Ų8270%0.70243%0.43SS*.EExtended strand (participates in β ladder)trans-123.7125168.3-66.3-175.7-179.8-165.7-2.2108.7V393V393-R404 PolarHBondContact N-O 2.78Å; V393-R404 PolarHBondContact O-N 3.26Å
405V85.2Confident78.7Confident10 Ų1081.9 Ų81.96%0.06144%0.438CS..EExtended strand (participates in β ladder)trans-81.7121.9172.4-178.40000108Y360 A363 M364 Y367 H390 F407Y360-V405 HydrophobicContact CD2-CG2 3.98Å; Y360-V405 HydrophobicContact CE2-CG1 4.33Å; Y360-V405 HydrophobicContact CE2-CG2 3.99Å; A363-V405 HydrophobicContact CB-CG2 4.01Å; M364-V405 HydrophobicContact CE-CB 4.5Å; M364-V405 HydrophobicContact CE-CG1 3.5Å; M364-V405 VanDerWaalsContact CE-CG1 3.5Å; M364-V405 HydrophobicContact CE-CG2 4.32Å; M364-V405 HydrophobicContact CG-CG2 4.23Å; M364-V405 HydrophobicContact SD-CG1 4.05Å; M364-V405 HydrophobicContact SD-CG2 4.11Å; Y367-V405 HydrophobicContact CE2-CB 3.91Å; Y367-V405 HydrophobicContact CE2-CG1 4.46Å; Y367-V405 HydrophobicContact CE2-CG2 4.35Å; Y367-V405 PolarHBondContact OH-O 3.41Å; H390-V405 HydrophobicContact CB-CG1 4.06Å; V405-F407 HydrophobicContact CG1-CE1 4.34Å; V405-F407 HydrophobicContact CG1-CE2 4.26Å; V405-F407 HydrophobicContact CG1-CZ 4.01Å
406V83.7Confident78.7Confident58 Ų5875.3 Ų75.335%0.35242%0.417SS..EExtended strand (participates in β ladder)trans-105.9119.7179.5179.90000109.1H390 H391 V393H390-V406 WeakPolarHBondContact CA-O 3.47Å; H391-V406 PolarHBondContact N-O 2.82Å; H391-V406 VanDerWaalsContact N-O 3.1Å; H391-V406 PolarHBondContact O-N 2.99Å; V393-V406 HydrophobicContact CB-CG2 4.33Å; V393-V406 HydrophobicContact CG2-CG2 3.69Å
407F84.8Confident79.4Confident34 Ų3473.2 Ų73.215%0.14940%0.395CS..EExtended strand (participates in β ladder)trans-86.3119.6171.2-60.6-78.7000109.8Y367 L388 H390 V405 G409 N469 S507Y367-F407 HydrophobicContact CD2-CE2 4.35Å; Y367-F407 HydrophobicContact CD2-CZ 4.32Å; Y367-F407 AromaticContact CE2-CE2 3.77Å; Y367-F407 HydrophobicContact CE2-CE2 3.77Å; Y367-F407 HydrophobicContact CE2-CZ 4.05Å; L388-F407 HydrophobicContact CB-CB 4.29Å; L388-F407 HydrophobicContact CB-CD1 4.37Å; L388-F407 HydrophobicContact CD1-CB 4.22Å; H390-F407 HydrophobicContact CB-CD1 3.7Å; H390-F407 HydrophobicContact CB-CE1 3.91Å; H390-F407 HydrophobicContact CB-CG 4.48Å; H390-F407 AromaticContact CD2-CE1 3.96Å; V405-F407 HydrophobicContact CG1-CE1 4.34Å; V405-F407 HydrophobicContact CG1-CE2 4.26Å; V405-F407 HydrophobicContact CG1-CZ 4.01Å; F407-G409 PolarHBondContact O-N 2.66Å; F407-G409 VanDerWaalsContact O-N 3.14Å; F407-N469 HydrophobicContact CD1-CB 4.32Å; F407-N469 HydrophobicContact CE1-CB 3.86Å; F407-N469 WeakPolarHBondContact CE1-ND2 3.37Å; F407-N469 WeakPolarHBondContact CZ-ND2 3.13Å; F407-S507 WeakPolarHBondContact CD2-OG 3.46Å
408D83.2Confident80.4Confident29 Ų2968.2 Ų68.216%0.15536%0.364CS..  trans-86.681.7-172.1-173.50.9000111.3R342 P389 S410 A411R342-D408 IonicContact NH2-OD2 3.2Å; R342-D408 PolarHBondContact NH2-OD2 3.03Å; P389-D408 WeakPolarHBondContact O-CB 3.01Å; P389-D408 PolarHBondContact O-N 2.79Å; D408-S410 PolarHBondContact O-N 3.31Å; D408-S410 PolarHBondContact OD1-N 2.92Å; D408-S410 VanDerWaalsContact OD1-N 3.17Å; D408-S410 PolarHBondContact OD1-OG 3.21Å; D408-A411 HydrophobicContact CB-CB 4.27Å; D408-A411 WeakPolarHBondContact O-CB 3.26Å; D408-A411 PolarHBondContact O-N 3.08Å; D408-A411 PolarHBondContact OD1-N 3.15Å; D408-A411 VanDerWaalsContact OD1-N 3.12Å
409G81Confident81.5Confident13 Ų1365.8 Ų65.813%0.13435%0.351CS..THydrogen-bonded Turntrans-65.2-12.217400000114.7F407 L418 N419F407-G409 PolarHBondContact O-N 2.66Å; F407-G409 VanDerWaalsContact O-N 3.14Å; G409-L418 PolarHBondContact O-N 2.78Å; G409-N419 PolarHBondContact O-N 3.18Å
410S83.5Confident82.7Confident79 Ų7964.1 Ų64.155%0.55233%0.333SS*.THydrogen-bonded Turntrans-90.8-6.9176.969.10000113.6D408 S412D408-S410 PolarHBondContact O-N 3.31Å; D408-S410 PolarHBondContact OD1-N 2.92Å; D408-S410 VanDerWaalsContact OD1-N 3.17Å; D408-S410 PolarHBondContact OD1-OG 3.21Å; S410-S412 PolarHBondContact O-N 3.1Å
411A83Confident83.5Confident7 Ų758.5 Ų58.56%0.05831%0.306CS..  trans-61.7112.6178.200000110.3Y338 P389 D408Y338-A411 HydrophobicContact CE1-CB 4.12Å; P389-A411 HydrophobicContact CG-CB 3.78Å; D408-A411 HydrophobicContact CB-CB 4.27Å; D408-A411 WeakPolarHBondContact O-CB 3.26Å; D408-A411 PolarHBondContact O-N 3.08Å; D408-A411 PolarHBondContact OD1-N 3.15Å; D408-A411 VanDerWaalsContact OD1-N 3.12Å
412S85.2Confident83.8Confident62 Ų6255.7 Ų55.743%0.43430%0.295SS..  trans-86.2131.6179.5-174.70000111.1S410 G415 L416S410-S412 PolarHBondContact O-N 3.1Å; S412-G415 WeakPolarHBondContact OG-CA 3.45Å; S412-L416 CarbonylContact C-O 3.56Å; S412-L416 VanDerWaalsContact CA-O 3.3Å; S412-L416 WeakPolarHBondContact CA-O 3.4Å; S412-L416 PolarHBondContact OG-N 3.32Å; S412-L416 PolarHBondContact OG-O 2.77Å
413Y85Confident83.7Confident59 Ų5950 Ų5023%0.23127%0.271CS..BIsolated β-bridgetrans-127.2128.1168.9178.6-107.2000109P333 N334 N335 Y338 G415 L416P333-Y413 HydrophobicContact CB-CD1 4.42Å; P333-Y413 HydrophobicContact CB-CE1 4.33Å; P333-Y413 HydrophobicContact CG-CD1 4.05Å; P333-Y413 HydrophobicContact CG-CE1 4.43Å; N334-Y413 VanDerWaalsContact O-CE1 3.26Å; N334-Y413 WeakPolarHBondContact O-CE1 3.24Å; N335-Y413 HydrophobicContact CB-CD1 3.44Å; N335-Y413 VanDerWaalsContact CB-CD1 3.44Å; N335-Y413 HydrophobicContact CB-CD2 4.5Å; N335-Y413 HydrophobicContact CB-CE1 4.02Å; N335-Y413 HydrophobicContact CB-CG 3.72Å; Y338-Y413 HydrophobicContact CD1-CD2 4.38Å; Y338-Y413 AromaticContact CG-CD2 3.96Å; Y338-Y413 HydrophobicContact CG-CD2 3.96Å; Y413-G415 PolarHBondContact O-N 2.76Å; Y413-G415 VanDerWaalsContact O-N 3.14Å; Y413-L416 PolarHBondContact N-O 2.77Å; Y413-L416 PolarHBondContact O-N 3.22Å; Y413-L416 VanDerWaalsContact O-O 3.13Å
414Q85.6Confident83Confident139 Ų13954.2 Ų54.265%0.6530%0.298SS*.THydrogen-bonded Turntrans53.230.3-173.5-59.5-175.7-200114.6P333P333-Q414 HydrophobicContact CG-CB 4.4Å
415G80.6Confident82.2Confident38 Ų3846.7 Ų46.739%0.39228%0.279SS..THydrogen-bonded Turntrans847.9176.800000115S412 Y413S412-G415 WeakPolarHBondContact OG-CA 3.45Å; Y413-G415 PolarHBondContact O-N 2.76Å; Y413-G415 VanDerWaalsContact O-N 3.14Å
416L82.5Confident80.9Confident57 Ų5748.2 Ų48.230%0.29829%0.289SS..BIsolated β-bridgetrans-122.1142.1173.9-68.1168.6000109.8L332 S412 Y413L332-L416 HydrophobicContact CD2-CB 4.44Å; S412-L416 CarbonylContact C-O 3.56Å; S412-L416 VanDerWaalsContact CA-O 3.3Å; S412-L416 WeakPolarHBondContact CA-O 3.4Å; S412-L416 PolarHBondContact OG-N 3.32Å; S412-L416 PolarHBondContact OG-O 2.77Å; Y413-L416 PolarHBondContact N-O 2.77Å; Y413-L416 PolarHBondContact O-N 3.22Å; Y413-L416 VanDerWaalsContact O-O 3.13Å
417S87.1Confident79.7Confident7 Ų750.3 Ų50.35%0.04931%0.313CS..  trans-122.1164.1165.969.20000110.1N419 D420S417-N419 VanDerWaalsContact C-N 3.3Å; S417-N419 PolarHBondContact O-N 2.94Å; S417-D420 WeakPolarHBondContact CB-OD2 3.46Å; S417-D420 PolarHBondContact N-OD2 2.86Å; S417-D420 WeakPolarHBondContact O-CB 3.39Å; S417-D420 PolarHBondContact O-N 2.77Å; S417-D420 PolarHBondContact OG-N 3.12Å; S417-D420 PolarHBondContact OG-OD2 2.9Å
418L83Confident78.3Confident2 Ų253.9 Ų53.91%0.0133%0.333CS..Hα-helixtrans-60.4-43.6176.3-177.963.6000110.8W326 L332 L388 G409 D420 L421 L422 F466 F467W326-L418 HydrophobicContact CH2-CD1 3.68Å; W326-L418 HydrophobicContact CZ3-CD1 3.99Å; L332-L418 HydrophobicContact CD1-CD1 4Å; L388-L418 HydrophobicContact CD1-CD2 4.42Å; L388-L418 HydrophobicContact CD2-CD2 3.95Å; G409-L418 PolarHBondContact O-N 2.78Å; L418-D420 PolarHBondContact O-N 3.41Å; L418-L421 PolarHBondContact O-N 2.87Å; L418-L422 HydrophobicContact CD1-CD1 4.33Å; L418-L422 HydrophobicContact CD1-CG 4.49Å; L418-L422 HydrophobicContact CD2-CD1 4.41Å; L418-L422 HydrophobicContact CG-CD1 3.9Å; L418-L422 HydrophobicContact CG-CG 4.42Å; L418-L422 WeakPolarHBondContact O-CG 3.47Å; L418-L422 PolarHBondContact O-N 2.79Å; L418-F466 HydrophobicContact CD1-CB 4.3Å; L418-F467 HydrophobicContact CD2-CD2 4.1Å; L418-F467 HydrophobicContact CD2-CE1 4.36Å; L418-F467 HydrophobicContact CD2-CE2 3.59Å; L418-F467 HydrophobicContact CD2-CZ 3.75Å
419N84.7Confident77.2Confident85 Ų8561.3 Ų61.346%0.45537%0.366SS..Hα-helixtrans-61.8-27178.5-71.4-11.4000113.6G409 S417 L421 L422G409-N419 PolarHBondContact O-N 3.18Å; S417-N419 VanDerWaalsContact C-N 3.3Å; S417-N419 PolarHBondContact O-N 2.94Å; N419-L421 PolarHBondContact O-N 2.72Å; N419-L422 PolarHBondContact O-N 2.95Å
420D83.7Confident76.1Confident81 Ų8164.6 Ų64.643%0.43338%0.381SS..Hα-helixtrans-65-32.3175.4-65.2-44.3000111.5K327 S417 L418K327-D420 PolarHBondContact NZ-O 2.83Å; S417-D420 WeakPolarHBondContact CB-OD2 3.46Å; S417-D420 PolarHBondContact N-OD2 2.86Å; S417-D420 WeakPolarHBondContact O-CB 3.39Å; S417-D420 PolarHBondContact O-N 2.77Å; S417-D420 PolarHBondContact OG-N 3.12Å; S417-D420 PolarHBondContact OG-OD2 2.9Å; L418-D420 PolarHBondContact O-N 3.41Å
421L83.5Confident75.2Confident25 Ų2564.2 Ų64.213%0.13137%0.373CS..Hα-helixtrans-91.2-13.7-177.1-59.9-173.9000114.2W326 K327 L332 L418 N419W326-L421 HydrophobicContact CE3-CB 3.93Å; W326-L421 HydrophobicContact CZ3-CB 3.73Å; W326-L421 HydrophobicContact CZ3-CD1 4.26Å; K327-L421 WeakPolarHBondContact CB-O 3.32Å; K327-L421 WeakPolarHBondContact CG-O 3.39Å; K327-L421 PolarHBondContact N-O 3.19Å; L332-L421 HydrophobicContact CD1-CD1 3.87Å; L332-L421 HydrophobicContact CD2-CD1 3.43Å; L332-L421 VanDerWaalsContact CD2-CD1 3.43Å; L332-L421 HydrophobicContact CD2-CG 4.39Å; L332-L421 HydrophobicContact CG-CD1 3.44Å; L332-L421 VanDerWaalsContact CG-CD1 3.44Å; L418-L421 PolarHBondContact O-N 2.87Å; N419-L421 PolarHBondContact O-N 2.72Å
422L83.6Confident74.4Confident22 Ų2268.5 Ų68.512%0.11539%0.394CS..BIsolated β-bridgetrans-95.8138.5179-61.8177.2000111.6L324 W326 K327 L418 N419L324-L422 HydrophobicContact CB-CD2 3.87Å; L324-L422 HydrophobicContact CD1-CD2 4.43Å; L324-L422 HydrophobicContact CD2-CD1 4.06Å; L324-L422 HydrophobicContact CD2-CD2 3.93Å; L324-L422 HydrophobicContact CG-CD2 4.27Å; W326-L422 HydrophobicContact CD2-CD2 3.99Å; W326-L422 HydrophobicContact CE3-CD2 3.62Å; W326-L422 HydrophobicContact CH2-CD2 4.14Å; W326-L422 HydrophobicContact CZ2-CD2 4.46Å; W326-L422 HydrophobicContact CZ3-CD2 3.7Å; W326-L422 HydrophobicContact CZ3-CG 4.37Å; K327-L422 WeakPolarHBondContact CE-O 3.27Å; K327-L422 PolarHBondContact NZ-O 2.88Å; L418-L422 HydrophobicContact CD1-CD1 4.33Å; L418-L422 HydrophobicContact CD1-CG 4.49Å; L418-L422 HydrophobicContact CD2-CD1 4.41Å; L418-L422 HydrophobicContact CG-CD1 3.9Å; L418-L422 HydrophobicContact CG-CG 4.42Å; L418-L422 WeakPolarHBondContact O-CG 3.47Å; L418-L422 PolarHBondContact O-N 2.79Å; N419-L422 PolarHBondContact O-N 2.95Å
423D79.1Confident73.5Confident31 Ų3168 Ų6817%0.16639%0.388CS..  trans-76.3119.8171.6-152.2-48.5000108.4R303 P325 K327 G425R303-D423 IonicContact CZ-OD2 3.3Å; R303-D423 IonicContact NE-OD2 2.69Å; R303-D423 PolarHBondContact NE-OD2 2.71Å; R303-D423 IonicContact NH2-OD2 3.27Å; R303-D423 PolarHBondContact NH2-OD2 3.35Å; P325-D423 HydrophobicContact CB-CB 4.16Å; P325-D423 WeakPolarHBondContact CG-O 3.37Å; P325-D423 WeakPolarHBondContact O-CB 3.48Å; P325-D423 PolarHBondContact O-N 3.23Å; K327-D423 HydrophobicContact CG-CB 4.22Å; D423-G425 PolarHBondContact O-N 3.25Å; D423-G425 VanDerWaalsContact O-N 3.16Å; D423-G425 PolarHBondContact OD1-N 2.73Å
424P70.1Confident72.7Confident114 Ų11465.7 Ų65.774%0.7438%0.382SS*.  trans-67.9-13.2-177.528.1-35.4000112.9
425G67.1Low71.8Confident28 Ų2862.2 Ų62.229%0.28937%0.367SS..  trans69.8179.4-17200000112.7D423D423-G425 PolarHBondContact O-N 3.25Å; D423-G425 VanDerWaalsContact O-N 3.16Å; D423-G425 PolarHBondContact OD1-N 2.73Å
426P58.9Low71.4Confident43 Ų4364.2 Ų64.228%0.27937%0.369SS..  trans-69.5155.5173.829.6-33.3000111.2L428P426-L428 HydrophobicContact CG-CD2 4.09Å; P426-L428 HydrophobicContact CG-CG 4.34Å; P426-L428 PolarHBondContact O-N 2.73Å
427A57.6Low71Confident102 Ų10267 Ų6784%0.84338%0.383SS*.  trans-70.596.6172.300000109.8Q429A427-Q429 PolarHBondContact O-N 3.17Å
428L56.1Low70.2Confident109 Ų10973.3 Ų73.357%0.57141%0.406SS*.  trans-81.211.7-178.5-66172.8000114P426 N430P426-L428 HydrophobicContact CG-CD2 4.09Å; P426-L428 HydrophobicContact CG-CG 4.34Å; P426-L428 PolarHBondContact O-N 2.73Å; L428-N430 PolarHBondContact O-N 2.74Å
429Q60.7Low69.6Low184 Ų18478.9 Ų78.986%0.8643%0.428SS*.  trans-65.1114.6178.3-72.4-175.2-4.300109.5A427 D431A427-Q429 PolarHBondContact O-N 3.17Å; Q429-D431 PolarHBondContact O-N 2.88Å
430N58.4Low69.1Low82 Ų8283.9 Ų83.944%0.43944%0.44SS..  trans-55.4135.2173.2-82.6-36.6000110L428 L432 I435 E513L428-N430 PolarHBondContact O-N 2.74Å; N430-L432 PolarHBondContact O-N 2.83Å; N430-I435 HydrophobicContact CB-CD1 3.64Å; N430-I435 HydrophobicContact CB-CG1 4.13Å; N430-E513 PolarHBondContact ND2-OE2 3.25Å
431D63.1Low68.5Low72 Ų7290.1 Ų90.139%0.38546%0.458SS..  trans-54.8114.3178.4169.633.5000110.2G292 Q429 V433 G434 I435G292-D431 VanDerWaalsContact CA-OD1 3.25Å; G292-D431 WeakPolarHBondContact CA-OD1 3.03Å; Q429-D431 PolarHBondContact O-N 2.88Å; D431-V433 PolarHBondContact O-N 3.48Å; D431-V433 PolarHBondContact OD1-N 2.85Å; D431-V433 VanDerWaalsContact OD1-N 3.1Å; D431-G434 VanDerWaalsContact CG-N 3.34Å; D431-G434 CarbonylContact O-C 3.49Å; D431-G434 WeakPolarHBondContact O-CA 3.44Å; D431-G434 PolarHBondContact O-N 3.34Å; D431-G434 VanDerWaalsContact O-N 3.08Å; D431-G434 WeakPolarHBondContact OD2-CA 3.37Å; D431-G434 PolarHBondContact OD2-N 3.35Å; D431-I435 WeakPolarHBondContact O-CG1 3.22Å; D431-I435 PolarHBondContact O-N 3.36Å
432L67.4Low67.9Low96 Ų9695 Ų9550%0.50348%0.483SS..Hα-helixtrans-59.9-34.7-177.5-166.971.4000111I291 N430 I435 L436I291-L432 HydrophobicContact CG2-CB 4.32Å; I291-L432 HydrophobicContact CG2-CD2 4.11Å; N430-L432 PolarHBondContact O-N 2.83Å; L432-I435 PolarHBondContact O-N 3.15Å; L432-L436 WeakPolarHBondContact O-CB 3.41Å; L432-L436 VanDerWaalsContact O-CG 3.27Å; L432-L436 WeakPolarHBondContact O-CG 3.4Å; L432-L436 PolarHBondContact O-N 3.44Å
433V66.3Low67.4Low52 Ų52104.8 Ų104.832%0.31552%0.519SS..Hα-helixtrans-66.2-47.6175.9179.10000109.8I291 D431 I435 L436 L437I291-V433 HydrophobicContact CG2-CG2 4.08Å; I291-V433 WeakPolarHBondContact O-CG2 3.48Å; D431-V433 PolarHBondContact O-N 3.48Å; D431-V433 PolarHBondContact OD1-N 2.85Å; D431-V433 VanDerWaalsContact OD1-N 3.1Å; V433-I435 VanDerWaalsContact C-N 3.34Å; V433-I435 PolarHBondContact O-N 3.31Å; V433-L436 PolarHBondContact O-N 3.05Å; V433-L437 HydrophobicContact CG1-CD1 3.98Å; V433-L437 HydrophobicContact CG1-CG 4.36Å; V433-L437 WeakPolarHBondContact O-CB 3.35Å; V433-L437 VanDerWaalsContact O-CG 3.31Å; V433-L437 WeakPolarHBondContact O-CG 3.37Å; V433-L437 PolarHBondContact O-N 2.81Å
434G68.5Low66.8Low10 Ų10111.2 Ų111.210%0.10355%0.545CS..Hα-helixtrans-56.3-42.8172.900000113.3D431 L437 R438D431-G434 VanDerWaalsContact CG-N 3.34Å; D431-G434 CarbonylContact O-C 3.49Å; D431-G434 WeakPolarHBondContact O-CA 3.44Å; D431-G434 PolarHBondContact O-N 3.34Å; D431-G434 VanDerWaalsContact O-N 3.08Å; D431-G434 WeakPolarHBondContact OD2-CA 3.37Å; D431-G434 PolarHBondContact OD2-N 3.35Å; G434-L437 PolarHBondContact O-N 2.98Å; G434-R438 WeakPolarHBondContact O-CB 3.37Å; G434-R438 WeakPolarHBondContact O-CG 3.42Å; G434-R438 PolarHBondContact O-N 3.3Å
435I66.2Low66.3Low66 Ų66108 Ų10834%0.33853%0.528SS..Hα-helixtrans-60.9-50.9174.1-67.2164.1000110.2N430 D431 L432 V433 L437 R438 Y439N430-I435 HydrophobicContact CB-CD1 3.64Å; N430-I435 HydrophobicContact CB-CG1 4.13Å; D431-I435 WeakPolarHBondContact O-CG1 3.22Å; D431-I435 PolarHBondContact O-N 3.36Å; L432-I435 PolarHBondContact O-N 3.15Å; V433-I435 VanDerWaalsContact C-N 3.34Å; V433-I435 PolarHBondContact O-N 3.31Å; I435-L437 VanDerWaalsContact C-N 3.31Å; I435-L437 PolarHBondContact O-N 3.35Å; I435-R438 PolarHBondContact O-N 2.93Å; I435-Y439 WeakPolarHBondContact O-CB 3.48Å; I435-Y439 PolarHBondContact O-N 2.82Å
436L71.4Confident66Low81 Ų81113.4 Ų113.442%0.42456%0.555SS.*Hα-helixtrans-62.3-36.9-179.3-72.2171.2000112.6L432 V433 R440L432-L436 WeakPolarHBondContact O-CB 3.41Å; L432-L436 VanDerWaalsContact O-CG 3.27Å; L432-L436 WeakPolarHBondContact O-CG 3.4Å; L432-L436 PolarHBondContact O-N 3.44Å; V433-L436 PolarHBondContact O-N 3.05Å; L436-R440 WeakPolarHBondContact O-CG 3.36Å; L436-R440 PolarHBondContact O-N 3.34Å
437L74.2Confident66.5Low114 Ų114118.9 Ų118.960%0.59758%0.577SS**Hα-helixtrans-68.3-43.8175.5-71.9173.3000111.6V433 G434 I435 R440 R441V433-L437 HydrophobicContact CG1-CD1 3.98Å; V433-L437 HydrophobicContact CG1-CG 4.36Å; V433-L437 WeakPolarHBondContact O-CB 3.35Å; V433-L437 VanDerWaalsContact O-CG 3.31Å; V433-L437 WeakPolarHBondContact O-CG 3.37Å; V433-L437 PolarHBondContact O-N 2.81Å; G434-L437 PolarHBondContact O-N 2.98Å; I435-L437 VanDerWaalsContact C-N 3.31Å; I435-L437 PolarHBondContact O-N 3.35Å; L437-R440 PolarHBondContact O-N 2.9Å; L437-R441 PolarHBondContact O-N 2.84Å; L437-R441 VanDerWaalsContact O-N 3.1Å
438R71Confident66.7Low140 Ų140118.4 Ų118.453%0.52857%0.573SS.*Hα-helixtrans-62.9-41.8175-74.8-173.5-66.4-94.15.7111.8G434 I435 R440 R441G434-R438 WeakPolarHBondContact O-CB 3.37Å; G434-R438 WeakPolarHBondContact O-CG 3.42Å; G434-R438 PolarHBondContact O-N 3.3Å; I435-R438 PolarHBondContact O-N 2.93Å; R438-R440 PolarHBondContact O-N 3.2Å; R438-R441 WeakPolarHBondContact O-CB 3.49Å; R438-R441 PolarHBondContact O-N 3.47Å; R438-R441 VanDerWaalsContact O-N 3.1Å
439Y69.5Low66.9Low120 Ų120120.6 Ų120.647%0.47159%0.585SS.*Hα-helixtrans-61-31.7177.9-158.4-86000112.4I435 A445I435-Y439 WeakPolarHBondContact O-CB 3.48Å; I435-Y439 PolarHBondContact O-N 2.82Å; Y439-A445 HydrophobicContact CD1-CB 3.96Å; Y439-A445 HydrophobicContact CD2-CB 3.81Å; Y439-A445 HydrophobicContact CE1-CB 3.65Å; Y439-A445 HydrophobicContact CE2-CB 3.5Å; Y439-A445 HydrophobicContact CG-CB 4.03Å; Y439-A445 VanDerWaalsContact CZ-CB 3.41Å
440R74.5Confident67.2Low189 Ų189115.9 Ų115.971%0.71357%0.565SS**Hα-helixtrans-89.9-9.9176.6-69.2-173.8-179.4111.7-1.8114.6L436 L437 R438L436-R440 WeakPolarHBondContact O-CG 3.36Å; L436-R440 PolarHBondContact O-N 3.34Å; L437-R440 PolarHBondContact O-N 2.9Å; R438-R440 PolarHBondContact O-N 3.2Å
441R71.2Confident67.7Low212 Ų212118.6 Ų118.680%0.858%0.575SS**Hα-helixtrans-75-32.8-173.5-176.7177.4176.9-171-1.7112.9L437 R438L437-R441 PolarHBondContact O-N 2.84Å; L437-R441 VanDerWaalsContact O-N 3.1Å; R438-R441 WeakPolarHBondContact O-CB 3.49Å; R438-R441 PolarHBondContact O-N 3.47Å; R438-R441 VanDerWaalsContact O-N 3.1Å
442L70.4Confident68.1Low127 Ų127116.8 Ų116.867%0.66557%0.571SS**SBendtrans-113.4153.5-174.5-60.4176000110.5F444L442-F444 PolarHBondContact O-N 3.29Å
443R73.6Confident68.2Low229 Ų229115.7 Ų115.786%0.86456%0.564SS**SBendtrans-65.5-26.5-177.2-173.9172.4176.6167.3-1.5113.3
444F66.9Low68.4Low166 Ų166119.5 Ų119.573%0.72858%0.576SS**  trans-126.6133.5179.5-55.6-72.5000109L442L442-F444 PolarHBondContact O-N 3.29Å
445A58.7Low68.7Low45 Ų45120.4 Ų120.437%0.37258%0.578SS.*  trans-119.3134.6175.900000109.1Y439Y439-A445 HydrophobicContact CD1-CB 3.96Å; Y439-A445 HydrophobicContact CD2-CB 3.81Å; Y439-A445 HydrophobicContact CE1-CB 3.65Å; Y439-A445 HydrophobicContact CE2-CB 3.5Å; Y439-A445 HydrophobicContact CG-CB 4.03Å; Y439-A445 VanDerWaalsContact CZ-CB 3.41Å
446V60.7Low69.2Low142 Ų142120.9 Ų120.986%0.86158%0.579SS**  trans-107.4130.5175.7-179.70000107.6
447Q69.8Low69.5Low159 Ų159117.6 Ų117.674%0.74356%0.562SS**  trans-123.6134.3174.6-179.7-179.5-12.300108.1
448A61.4Low70Confident92 Ų92114.1 Ų114.176%0.7654%0.543SS*.  trans-134.6148.2172.100000108.6
449D60.8Low70.6Confident154 Ų154107.6 Ų107.682%0.82452%0.518SS*.  trans-104.5140.2169.6-172.937.6000108.2E451D449-E451 PolarHBondContact O-N 3.39Å
450I66.2Low71.3Confident85 Ų85103 Ų10344%0.43650%0.501SS..  trans-90.1104.1175.7-56.6176.9000107.1A452 M453I450-A452 PolarHBondContact O-N 2.85Å; I450-M453 HydrophobicContact CB-CB 4Å; I450-M453 HydrophobicContact CB-CG 4.22Å; I450-M453 HydrophobicContact CD1-CG 4.44Å; I450-M453 HydrophobicContact CG2-CB 3.81Å; I450-M453 HydrophobicContact CG2-CG 3.99Å; I450-M453 PolarHBondContact O-N 2.84Å
451E69.6Low71.7Confident139 Ų139101.2 Ų101.265%0.6550%0.501SS*.THydrogen-bonded Turntrans-58.9125.3-179.5-170.6-178.3169.200110.6K370 D449 M453K370-E451 IonicContact NZ-OE1 2.64Å; D449-E451 PolarHBondContact O-N 3.39Å; E451-M453 PolarHBondContact O-N 2.95Å; E451-M453 VanDerWaalsContact O-N 3.12Å
452A72.2Confident72.2Confident35 Ų3597.5 Ų97.529%0.28949%0.493SS..THydrogen-bonded Turntrans5235.7178.400000113.5W372 I450 F454 L455 Q456W372-A452 HydrophobicContact CH2-CB 3.62Å; W372-A452 HydrophobicContact CZ2-CB 3.65Å; I450-A452 PolarHBondContact O-N 2.85Å; A452-F454 CarbonylContact O-C 3.44Å; A452-F454 PolarHBondContact O-N 3.48Å; A452-L455 HydrophobicContact CB-CB 4.27Å; A452-L455 HydrophobicContact CB-CD1 4.3Å; A452-L455 WeakPolarHBondContact O-CA 3.45Å; A452-L455 PolarHBondContact O-N 3.28Å; A452-Q456 PolarHBondContact O-N 3.44Å
453M69.7Low72.9Confident73 Ų7391.7 Ų91.736%0.3646%0.462SS..G310 helixtrans-35.2-48.7-173.5-175.7-172.1179.600115.3I450 E451 Q456I450-M453 HydrophobicContact CB-CB 4Å; I450-M453 HydrophobicContact CB-CG 4.22Å; I450-M453 HydrophobicContact CD1-CG 4.44Å; I450-M453 HydrophobicContact CG2-CB 3.81Å; I450-M453 HydrophobicContact CG2-CG 3.99Å; I450-M453 PolarHBondContact O-N 2.84Å; E451-M453 PolarHBondContact O-N 2.95Å; E451-M453 VanDerWaalsContact O-N 3.12Å; M453-Q456 PolarHBondContact O-N 3.23Å
454F69.6Low73.4Confident132 Ų13282.5 Ų82.558%0.57943%0.428SS*.G310 helixtrans-63.5-49180-64.8-63.4000111.7A452 Q456 I457 F508 C509A452-F454 CarbonylContact O-C 3.44Å; A452-F454 PolarHBondContact O-N 3.48Å; F454-Q456 PolarHBondContact O-N 3.41Å; F454-I457 PolarHBondContact O-N 2.97Å; F454-I457 VanDerWaalsContact O-N 3.09Å; F454-F508 CarbonylContact C-O 3.57Å; F454-F508 CarbonylContact O-C 3.36Å; F454-F508 VanDerWaalsContact O-C 3.27Å; F454-C509 HydrophobicContact CB-CB 4.22Å; F454-C509 HydrophobicContact CD1-CB 3.54Å; F454-C509 HydrophobicContact CE1-CB 4.36Å; F454-C509 HydrophobicContact CG-CB 4.28Å
455L75.3Confident74.1Confident28 Ų2876.4 Ų76.415%0.14740%0.403CS..G310 helixtrans-67.1-10.5-176.7-57.3173.3000113.8Y367 W372 A452 I457Y367-L455 HydrophobicContact CE1-CD1 3.94Å; W372-L455 HydrophobicContact CD2-CB 3.71Å; W372-L455 HydrophobicContact CD2-CD1 3.97Å; W372-L455 HydrophobicContact CD2-CG 4.33Å; W372-L455 HydrophobicContact CE3-CB 4.11Å; W372-L455 HydrophobicContact CE3-CD1 3.43Å; W372-L455 VanDerWaalsContact CE3-CD1 3.43Å; W372-L455 HydrophobicContact CE3-CG 4.25Å; W372-L455 HydrophobicContact CG-CB 4.02Å; W372-L455 HydrophobicContact CH2-CB 4.33Å; W372-L455 HydrophobicContact CH2-CD1 3.73Å; W372-L455 HydrophobicContact CZ2-CB 3.95Å; W372-L455 HydrophobicContact CZ2-CD1 4.23Å; W372-L455 HydrophobicContact CZ3-CB 4.42Å; W372-L455 HydrophobicContact CZ3-CD1 3.32Å; W372-L455 HydrophobicContact CZ3-CG 4.44Å; W372-L455 PolarHBondContact NE1-O 2.78Å; A452-L455 HydrophobicContact CB-CB 4.27Å; A452-L455 HydrophobicContact CB-CD1 4.3Å; A452-L455 WeakPolarHBondContact O-CA 3.45Å; A452-L455 PolarHBondContact O-N 3.28Å; L455-I457 PolarHBondContact O-N 3.26Å
456Q77.2Confident75.2Confident76 Ų7674.4 Ų74.436%0.35539%0.386SS..G310 helixtrans-79.8-0.7173.5-62.7-59.9-14.700113.8R319 A452 M453 F454R319-Q456 WeakPolarHBondContact CB-O 3.27Å; R319-Q456 VanDerWaalsContact CG-O 3.3Å; R319-Q456 WeakPolarHBondContact CG-O 3.23Å; A452-Q456 PolarHBondContact O-N 3.44Å; M453-Q456 PolarHBondContact O-N 3.23Å; F454-Q456 PolarHBondContact O-N 3.41Å
457I77.7Confident76.1Confident13 Ų1368.8 Ų68.87%0.06735%0.35CS..EExtended strand (participates in β ladder)trans-114.2139.7-176.6-64.5147.7000108.1V322 F454 L455 F508 C509 H510V322-I457 HydrophobicContact CB-CG2 4.44Å; V322-I457 HydrophobicContact CG1-CG2 3.89Å; V322-I457 HydrophobicContact CG2-CG2 3.66Å; F454-I457 PolarHBondContact O-N 2.97Å; F454-I457 VanDerWaalsContact O-N 3.09Å; L455-I457 PolarHBondContact O-N 3.26Å; I457-F508 WeakPolarHBondContact O-CB 3.5Å; I457-C509 VanDerWaalsContact CG2-C 3.49Å; I457-C509 VanDerWaalsContact CG2-O 3.29Å; I457-C509 WeakPolarHBondContact CG2-O 3.18Å; I457-H510 VanDerWaalsContact CD1-O 3.23Å; I457-H510 WeakPolarHBondContact CD1-O 3.2Å
458E83.2Confident76.4Confident40 Ų4061.3 Ų61.319%0.18732%0.315CS..EExtended strand (participates in β ladder)trans-112.4140.5-173.1-168.7-178.4152.800108.8N316 R319 Y320 V321 V322 R464N316-E458 PolarHBondContact ND2-OE2 2.84Å; R319-E458 HydrophobicContact CB-CB 4.38Å; Y320-E458 PolarHBondContact O-N 2.75Å; V321-E458 CarbonylContact C-O 3.27Å; V321-E458 VanDerWaalsContact CA-O 3.26Å; V321-E458 WeakPolarHBondContact CA-O 3.42Å; V321-E458 HydrophobicContact CG2-CB 4.25Å; V322-E458 PolarHBondContact N-O 3.4Å; E458-R464 IonicContact OE1-CZ 3.05Å; E458-R464 IonicContact OE1-NH2 2.67Å; E458-R464 PolarHBondContact OE1-NH2 3.1Å
459L84.9Confident76.5Confident3 Ų357 Ų572%0.01628%0.279CS..EExtended strand (participates in β ladder)trans-84.3146.7167.4-79.7-173.9000111.3V322 L324 Q461 D463 R464 F467 F508V322-L459 HydrophobicContact CG2-CD2 3.85Å; V322-L459 VanDerWaalsContact O-CA 3.3Å; V322-L459 WeakPolarHBondContact O-CA 3.47Å; V322-L459 WeakPolarHBondContact O-CD2 3.38Å; L324-L459 HydrophobicContact CD1-CD1 3.68Å; L324-L459 HydrophobicContact CD2-CD1 3.88Å; L324-L459 HydrophobicContact CD2-CD2 3.97Å; L324-L459 HydrophobicContact CG-CD1 3.53Å; L324-L459 HydrophobicContact CG-CD2 3.83Å; L324-L459 HydrophobicContact CG-CG 4.37Å; L459-Q461 PolarHBondContact O-N 3.08Å; L459-D463 HydrophobicContact CD1-CB 3.94Å; L459-R464 HydrophobicContact CB-CG 4.1Å; L459-R464 PolarHBondContact O-NE 2.78Å; L459-F467 HydrophobicContact CD1-CD2 4.05Å; L459-F467 HydrophobicContact CD1-CE2 4.1Å; L459-F508 HydrophobicContact CB-CD1 3.87Å; L459-F508 HydrophobicContact CB-CD2 3.73Å; L459-F508 HydrophobicContact CB-CE1 3.74Å; L459-F508 HydrophobicContact CB-CE2 3.59Å; L459-F508 HydrophobicContact CB-CG 3.81Å; L459-F508 HydrophobicContact CB-CZ 3.55Å; L459-F508 HydrophobicContact CD1-CD1 3.13Å; L459-F508 HydrophobicContact CD1-CD2 4.49Å; L459-F508 HydrophobicContact CD1-CE1 2.88Å; L459-F508 HydrophobicContact CD1-CE2 4.3Å; L459-F508 HydrophobicContact CD1-CG 3.93Å; L459-F508 HydrophobicContact CD1-CZ 3.51Å; L459-F508 HydrophobicContact CD2-CD1 4.21Å; L459-F508 HydrophobicContact CD2-CG 4.4Å; L459-F508 HydrophobicContact CG-CB 3.94Å; L459-F508 HydrophobicContact CG-CD1 3.09Å; L459-F508 HydrophobicContact CG-CD2 3.83Å; L459-F508 HydrophobicContact CG-CE1 3.3Å; L459-F508 HydrophobicContact CG-CE2 3.98Å; L459-F508 HydrophobicContact CG-CG 3.34Å; L459-F508 HydrophobicContact CG-CZ 3.7Å
460Q84.6Confident76Confident25 Ų2550.4 Ų50.412%0.11724%0.243CC..  trans-50.7136.7162.6-69.8-176.30.700110.3R311 P312 V321 V322 E462 D463 R464R311-Q460 VanDerWaalsContact NE-OE1 3.12Å; P312-Q460 PolarHBondContact O-NE2 3.44Å; V321-Q460 HydrophobicContact CG1-CB 4.48Å; V321-Q460 HydrophobicContact CG1-CG 3.8Å; V322-Q460 PolarHBondContact O-N 3.41Å; Q460-E462 PolarHBondContact O-N 2.98Å; Q460-D463 PolarHBondContact O-N 3.22Å; Q460-R464 PolarHBondContact O-N 3.45Å
461Q82.8Confident75.4Confident151 Ų15147.8 Ų47.871%0.70623%0.232SC*.Hα-helixtrans-49.2-33.8-172.3-168.6172.221.400114L459 D463 R464L459-Q461 PolarHBondContact O-N 3.08Å; Q461-D463 PolarHBondContact O-N 2.71Å; Q461-R464 WeakPolarHBondContact O-CB 3.44Å; Q461-R464 PolarHBondContact O-N 2.96Å
462E80.7Confident74.3Confident133 Ų13342 Ų4262%0.62121%0.206SC*.Hα-helixtrans-73.9-24-177.7-56.2169.5-121.400114.4R311 Q460R311-E462 IonicContact CZ-OE2 2.91Å; R311-E462 IonicContact NH2-OE1 2.7Å; R311-E462 PolarHBondContact NH2-OE1 3.06Å; R311-E462 IonicContact NH2-OE2 3.9Å; R311-E462 PolarHBondContact NH2-OE2 2.98Å; Q460-E462 PolarHBondContact O-N 2.98Å
463D84.8Confident72.9Confident6 Ų643.1 Ų43.13%0.03221%0.206CC..Hα-helixtrans-96.8-7.5-179.7-75.9-35.8000111.8R311 P323 L324 W326 L459 Q460 Q461 D465 F466R311-D463 IonicContact NH1-OD1 3.66Å; R311-D463 IonicContact NH1-OD2 2.93Å; R311-D463 PolarHBondContact NH1-OD2 3.02Å; P323-D463 WeakPolarHBondContact CA-OD2 3.45Å; L324-D463 HydrophobicContact CB-CB 4.23Å; L324-D463 HydrophobicContact CD1-CB 3.84Å; L324-D463 HydrophobicContact CG-CB 3.98Å; L324-D463 PolarHBondContact N-OD2 2.92Å; W326-D463 PolarHBondContact NE1-OD1 3.26Å; L459-D463 HydrophobicContact CD1-CB 3.94Å; Q460-D463 PolarHBondContact O-N 3.22Å; Q461-D463 PolarHBondContact O-N 2.71Å; D463-D465 PolarHBondContact O-N 2.86Å; D463-F466 WeakPolarHBondContact O-CD2 3.36Å
464R83.8Confident71.6Confident35 Ų3542.1 Ų42.113%0.13222%0.215CC..Hα-helixtrans-60-49.5-176.2-75-169.6-164.4167.93.6111.5E374 E458 L459 Q460 Q461 F466 F467 H506 F508E374-R464 VanDerWaalsContact CD-NH1 3.3Å; E374-R464 WeakPolarHBondContact OE1-CD 3.35Å; E374-R464 IonicContact OE1-CZ 3.95Å; E374-R464 IonicContact OE1-NE 3.33Å; E374-R464 IonicContact OE1-NH1 3.76Å; E374-R464 PolarHBondContact OE1-NH1 3.11Å; E374-R464 IonicContact OE2-NH1 3.28Å; E374-R464 PolarHBondContact OE2-NH1 2.92Å; E458-R464 IonicContact OE1-CZ 3.05Å; E458-R464 IonicContact OE1-NH2 2.67Å; E458-R464 PolarHBondContact OE1-NH2 3.1Å; L459-R464 HydrophobicContact CB-CG 4.1Å; L459-R464 PolarHBondContact O-NE 2.78Å; Q460-R464 PolarHBondContact O-N 3.45Å; Q461-R464 WeakPolarHBondContact O-CB 3.44Å; Q461-R464 PolarHBondContact O-N 2.96Å; R464-F466 PolarHBondContact O-N 3.21Å; R464-F467 PolarHBondContact O-N 3.17Å; R464-H506 VanDerWaalsContact CB-ND1 3.3Å; R464-H506 WeakPolarHBondContact CB-ND1 3.28Å; R464-H506 PolarHBondContact O-CE1 2.84Å; R464-H506 PolarHBondContact O-ND1 3.41Å; R464-H506 PolarHBondContact O-NE2 3.02Å; R464-F508 HydrophobicContact CB-CZ 4.26Å; R464-F508 HydrophobicContact CG-CE2 4.07Å; R464-F508 HydrophobicContact CG-CZ 3.91Å
465D82Confident70.3Confident38 Ų3844.4 Ų44.420%0.20322%0.22CC..G310 helixtrans-56.2-12.7-174.3-83.7-30.9000116.3K384 V385 W386 D463 F467 R468 H506K384-D465 CarbonylContact O-C 3.41Å; K384-D465 WeakPolarHBondContact O-CB 3.42Å; V385-D465 WeakPolarHBondContact CA-O 3.31Å; W386-D465 PolarHBondContact N-O 3.18Å; D463-D465 PolarHBondContact O-N 2.86Å; D465-F467 VanDerWaalsContact C-N 3.28Å; D465-R468 IonicContact OD1-CZ 2.73Å; D465-R468 IonicContact OD1-NE 3.3Å; D465-R468 PolarHBondContact OD1-NE 3.07Å; D465-R468 IonicContact OD1-NH2 3.83Å; D465-R468 PolarHBondContact OD1-NH2 3.47Å; D465-R468 IonicContact OD2-NH2 3.5Å; D465-H506 PolarHBondContact N-CE1 3.18Å
466F81.4Confident68.8Low4 Ų446.1 Ų46.12%0.01823%0.225CC..G310 helixtrans-80-6.3173.4-63.6-79000114.3L324 W326 P330 L332 K384 W386 L418 D463 R464L324-F466 HydrophobicContact CD1-CB 4.22Å; L324-F466 HydrophobicContact CD1-CD2 4.46Å; W326-F466 HydrophobicContact CH2-CB 4.15Å; W326-F466 AromaticContact CH2-CD1 3.7Å; W326-F466 HydrophobicContact CH2-CD1 3.7Å; W326-F466 HydrophobicContact CH2-CD2 4.06Å; W326-F466 AromaticContact CH2-CE1 4Å; W326-F466 HydrophobicContact CH2-CE1 4Å; W326-F466 HydrophobicContact CH2-CE2 4.36Å; W326-F466 AromaticContact CH2-CG 3.69Å; W326-F466 HydrophobicContact CH2-CG 3.69Å; W326-F466 HydrophobicContact CH2-CZ 4.31Å; W326-F466 HydrophobicContact CZ2-CB 4.22Å; W326-F466 AromaticContact CZ2-CD1 3.95Å; W326-F466 HydrophobicContact CZ2-CD1 3.95Å; W326-F466 AromaticContact CZ2-CD2 3.47Å; W326-F466 HydrophobicContact CZ2-CD2 3.47Å; W326-F466 VanDerWaalsContact CZ2-CD2 3.47Å; W326-F466 HydrophobicContact CZ2-CE1 4.09Å; W326-F466 AromaticContact CZ2-CE2 3.65Å; W326-F466 HydrophobicContact CZ2-CE2 3.65Å; W326-F466 AromaticContact CZ2-CG 3.6Å; W326-F466 HydrophobicContact CZ2-CG 3.6Å; W326-F466 AromaticContact CZ2-CZ 3.94Å; W326-F466 HydrophobicContact CZ2-CZ 3.94Å; P330-F466 HydrophobicContact CB-CE1 3.74Å; P330-F466 HydrophobicContact CB-CZ 3.74Å; P330-F466 HydrophobicContact CG-CE1 4.04Å; P330-F466 HydrophobicContact CG-CE2 4.21Å; P330-F466 HydrophobicContact CG-CZ 3.48Å; P330-F466 VanDerWaalsContact CG-CZ 3.48Å; L332-F466 HydrophobicContact CD1-CD1 3.72Å; L332-F466 HydrophobicContact CD1-CE1 4.12Å; K384-F466 HydrophobicContact CB-CE2 4.5Å; K384-F466 HydrophobicContact CB-CZ 4.03Å; K384-F466 HydrophobicContact CG-CZ 4.24Å; K384-F466 WeakPolarHBondContact O-CD1 3.38Å; K384-F466 WeakPolarHBondContact O-CE1 3.4Å; W386-F466 HydrophobicContact CB-CD1 4.45Å; W386-F466 WeakPolarHBondContact CB-O 3.26Å; W386-F466 CarbonylContact O-C 3.6Å; L418-F466 HydrophobicContact CD1-CB 4.3Å; D463-F466 WeakPolarHBondContact O-CD2 3.36Å; R464-F466 PolarHBondContact O-N 3.21Å
467F80.6Confident67Low24 Ų2450.1 Ų50.111%0.10524%0.241CC..G310 helixtrans-116.216.2-176.4-84.1-110.5000113.3L324 L388 L418 L459 R464 D465 N469 H506 S507 F508L324-F467 HydrophobicContact CD1-CD2 4.12Å; L324-F467 HydrophobicContact CD1-CE2 3.63Å; L324-F467 HydrophobicContact CD2-CE2 3.63Å; L324-F467 HydrophobicContact CD2-CZ 4Å; L324-F467 HydrophobicContact CG-CE2 4.21Å; L388-F467 HydrophobicContact CD1-CB 4.01Å; L388-F467 HydrophobicContact CD1-CD1 3.33Å; L388-F467 HydrophobicContact CD1-CE1 3.92Å; L388-F467 HydrophobicContact CD1-CG 3.74Å; L418-F467 HydrophobicContact CD2-CD2 4.1Å; L418-F467 HydrophobicContact CD2-CE1 4.36Å; L418-F467 HydrophobicContact CD2-CE2 3.59Å; L418-F467 HydrophobicContact CD2-CZ 3.75Å; L459-F467 HydrophobicContact CD1-CD2 4.05Å; L459-F467 HydrophobicContact CD1-CE2 4.1Å; R464-F467 PolarHBondContact O-N 3.17Å; D465-F467 VanDerWaalsContact C-N 3.28Å; F467-N469 PolarHBondContact O-N 2.66Å; F467-H506 HydrophobicContact CB-CB 4.08Å; F467-H506 PolarHBondContact O-CD2 2.9Å; F467-S507 WeakPolarHBondContact CD1-O 3.46Å; F467-S507 WeakPolarHBondContact CE1-O 3.37Å; F467-F508 HydrophobicContact CB-CD1 4.43Å; F467-F508 HydrophobicContact CB-CE1 3.51Å; F467-F508 HydrophobicContact CB-CZ 4.1Å; F467-F508 AromaticContact CD1-CD1 3.84Å; F467-F508 HydrophobicContact CD1-CD1 3.84Å; F467-F508 AromaticContact CD1-CE1 3.74Å; F467-F508 HydrophobicContact CD1-CE1 3.74Å; F467-F508 HydrophobicContact CD2-CD1 4.19Å; F467-F508 AromaticContact CD2-CE1 3.63Å; F467-F508 HydrophobicContact CD2-CE1 3.63Å; F467-F508 HydrophobicContact CE1-CD1 4.06Å; F467-F508 HydrophobicContact CE1-CE1 4.33Å; F467-F508 HydrophobicContact CE2-CD1 4.41Å; F467-F508 HydrophobicContact CE2-CE1 4.25Å; F467-F508 AromaticContact CG-CD1 3.91Å; F467-F508 HydrophobicContact CG-CD1 3.91Å; F467-F508 AromaticContact CG-CE1 3.34Å; F467-F508 HydrophobicContact CG-CE1 3.34Å; F467-F508 HydrophobicContact CG-CZ 4.38Å; F467-F508 HydrophobicContact CZ-CD1 4.34Å
468R76Confident65.3Low1 Ų158.5 Ų58.50%0.00428%0.28CS..BIsolated β-bridgetrans-52.9140.6-178.7-73.1171.6176.7-123.63.3110.3W386 Y387 L388 D465 E504 H506W386-R468 PolarHBondContact O-N 2.88Å; Y387-R468 CarbonylContact C-O 3.53Å; Y387-R468 WeakPolarHBondContact CA-O 3.21Å; Y387-R468 HydrophobicContact CD1-CB 3.67Å; Y387-R468 HydrophobicContact CE1-CB 3.73Å; Y387-R468 HydrophobicContact CE1-CG 4.46Å; Y387-R468 HydrophobicContact CG-CB 4.23Å; L388-R468 PolarHBondContact N-O 2.98Å; D465-R468 IonicContact OD1-CZ 2.73Å; D465-R468 IonicContact OD1-NE 3.3Å; D465-R468 PolarHBondContact OD1-NE 3.07Å; D465-R468 IonicContact OD1-NH2 3.83Å; D465-R468 PolarHBondContact OD1-NH2 3.47Å; D465-R468 IonicContact OD2-NH2 3.5Å; R468-E504 WeakPolarHBondContact CD-OE2 2.84Å; R468-E504 IonicContact CZ-OE2 2.79Å; R468-E504 IonicContact NE-OE2 3.01Å; R468-E504 IonicContact NH1-OE2 2.89Å; R468-E504 PolarHBondContact NH1-OE2 2.96Å; R468-H506 WeakPolarHBondContact CA-CD2 3.33Å; R468-H506 WeakPolarHBondContact CA-NE2 3.5Å; R468-H506 WeakPolarHBondContact CG-NE2 3.43Å; R468-H506 PolarHBondContact N-CD2 3.05Å; R468-H506 PolarHBondContact N-NE2 2.86Å; R468-H506 VanDerWaalsContact N-NE2 3.13Å
469N63.5Low63.1Low3 Ų361.9 Ų61.92%0.01630%0.296CS..  trans-130.7148.416862.549.9000109.4F407 F467 P471 E504 L505F407-N469 HydrophobicContact CD1-CB 4.32Å; F407-N469 HydrophobicContact CE1-CB 3.86Å; F407-N469 WeakPolarHBondContact CE1-ND2 3.37Å; F407-N469 WeakPolarHBondContact CZ-ND2 3.13Å; F467-N469 PolarHBondContact O-N 2.66Å; N469-P471 WeakPolarHBondContact O-CD 3.41Å; N469-E504 WeakPolarHBondContact O-CB 3.41Å; N469-L505 PolarHBondContact N-O 3.45Å; N469-L505 PolarHBondContact ND2-O 3.21Å; N469-L505 WeakPolarHBondContact OD1-CB 3.35Å; N469-L505 PolarHBondContact OD1-O 2.8Å
470M50.9Low60.7Low14 Ų1467.7 Ų67.77%0.06933%0.326CS..  trans-78.3123174.9-75.8-175.8-150.800109.1Y336 A339 L340 L343 Y387 H390 V472Y336-M470 HydrophobicContact CD1-CE 3.92Å; Y336-M470 HydrophobicContact CD2-CE 3.19Å; Y336-M470 HydrophobicContact CE1-CE 3.88Å; Y336-M470 HydrophobicContact CE2-CE 3.17Å; Y336-M470 HydrophobicContact CE2-CG 4.37Å; Y336-M470 HydrophobicContact CE2-SD 4Å; Y336-M470 HydrophobicContact CG-CE 3.58Å; Y336-M470 WeakPolarHBondContact O-CE 3.33Å; A339-M470 HydrophobicContact CB-CE 4.11Å; L340-M470 HydrophobicContact CB-CE 3.64Å; L340-M470 HydrophobicContact CB-SD 3.65Å; L340-M470 HydrophobicContact CD1-SD 3.61Å; L340-M470 HydrophobicContact CG-SD 4.18Å; L343-M470 HydrophobicContact CD2-CB 3.6Å; Y387-M470 HydrophobicContact CD1-CE 4.27Å; Y387-M470 HydrophobicContact CD1-CG 4.39Å; H390-M470 PolarHBondContact NE2-O 3.5Å; M470-V472 PolarHBondContact O-N 3.01Å
471P52.8Low58.2Low31 Ų3171 Ų7120%0.20135%0.35CS..  trans-67.1133.2174.731.1-38.8000109.3N469 I473 I503N469-P471 WeakPolarHBondContact O-CD 3.41Å; P471-I473 HydrophobicContact CB-CB 4.45Å; P471-I503 WeakPolarHBondContact CB-O 3.2Å; P471-I503 WeakPolarHBondContact CD-O 3.2Å; P471-I503 WeakPolarHBondContact CG-O 3.29Å
472V47.8Very low55.8Low17 Ų1771.1 Ų71.110%0.10335%0.354CS..SBendtrans-67.6-30.3164.9-177.60000109.4L343 Y360 M470 G474 R475 W476L343-V472 HydrophobicContact CD1-CG2 3.62Å; Y360-V472 HydrophobicContact CE1-CB 4.47Å; Y360-V472 HydrophobicContact CE1-CG2 3.69Å; Y360-V472 VanDerWaalsContact OH-CG2 3.23Å; Y360-V472 WeakPolarHBondContact OH-CG2 3Å; M470-V472 PolarHBondContact O-N 3.01Å; V472-G474 PolarHBondContact O-N 2.97Å; V472-R475 PolarHBondContact O-N 2.96Å; V472-W476 VanDerWaalsContact CG1-CD1 3.47Å
473I42.8Very low53.4Low58 Ų5870.5 Ų70.530%0.29736%0.358SS..THydrogen-bonded Turntrans-55.5-29.8-166.6-53.9173.3000113.4V368 P471 K477V368-I473 HydrophobicContact CG2-CD1 4.1Å; P471-I473 HydrophobicContact CB-CB 4.45Å; I473-K477 PolarHBondContact O-N 2.99Å
474G40.5Very low50.9Low53 Ų5379.4 Ų79.455%0.54640%0.4SS..THydrogen-bonded Turntrans-70.3-30.5-174.500000116.7V472V472-G474 PolarHBondContact O-N 2.97Å
475R42.7Very low48.3Very low179 Ų17986.6 Ų86.668%0.67544%0.435SS*.THydrogen-bonded Turntrans-89.3-17.3177.2-81.6-165.8-159-170.711.4113.8V472V472-R475 PolarHBondContact O-N 2.96Å
476W44.1Very low45.7Very low65 Ų6591 Ų9125%0.24646%0.457CS..  trans-115.114.6-170.4-5197000113.1E347 R357 V472 E478 E479E347-W476 PolarHBondContact OE1-NE1 3.34Å; R357-W476 VanDerWaalsContact NH2-CD2 3.31Å; R357-W476 VanDerWaalsContact NH2-CZ3 3.25Å; V472-W476 VanDerWaalsContact CG1-CD1 3.47Å; W476-E478 PolarHBondContact O-N 3.43Å; W476-E478 VanDerWaalsContact O-N 3.08Å; W476-E479 PolarHBondContact O-N 3.34Å
477K39.2Very low43Very low160 Ų160100.9 Ų100.970%0.69650%0.5SS*.G310 helixtrans-56.8-24.4179.3-151.4177.5-175.3179.50112.7I473I473-K477 PolarHBondContact O-N 2.99Å
478E42.3Very low40.3Very low189 Ų189105.5 Ų105.588%0.88353%0.53SS*.G310 helixtrans-75.6-19177.6-65.7177.7177.500113.8W476 L480W476-E478 PolarHBondContact O-N 3.43Å; W476-E478 VanDerWaalsContact O-N 3.08Å; E478-L480 VanDerWaalsContact C-N 3.3Å; E478-L480 PolarHBondContact O-N 2.82Å
479E37.5Very low37.9Very low111 Ų111110.7 Ų110.752%0.51956%0.564SS.*G310 helixtrans-90.321.7177.5-69.3-168.716000113.4R357 W476 P481R357-E479 IonicContact CZ-OE2 2.93Å; R357-E479 VanDerWaalsContact CZ-OE2 3.3Å; R357-E479 IonicContact NH1-OE1 2.73Å; R357-E479 IonicContact NH1-OE2 3.23Å; R357-E479 PolarHBondContact NH1-OE2 3.4Å; R357-E479 IonicContact NH2-OE2 2.82Å; R357-E479 PolarHBondContact NH2-OE2 2.74Å; W476-E479 PolarHBondContact O-N 3.34Å; E479-P481 WeakPolarHBondContact O-CD 3.42Å
480L33.9Very low35.9Very low124 Ų124122 Ų12265%0.64961%0.606SS**  trans-100.550.7173.8-72.3166.2000114.4E478E478-L480 VanDerWaalsContact C-N 3.3Å; E478-L480 PolarHBondContact O-N 2.82Å
481P33.3Very low34.7Very low96 Ų96133 Ų13362%0.62365%0.647SS**  trans-84.5135.3169.534.3-29.4000110.7E479E479-P481 WeakPolarHBondContact O-CD 3.42Å
482I32.1Very low33.3Very low153 Ų153138.8 Ų138.879%0.78568%0.676SS**  trans84.772.2161.9-45.6153.7000115.1
483V30.6Very low32.2Very low119 Ų119141.1 Ų141.172%0.72170%0.703SS**  trans-130.857.1148.9-167.10000108.7Q485 I486V483-Q485 VanDerWaalsContact C-N 3.27Å; V483-I486 HydrophobicContact CG1-CD1 3.81Å; V483-I486 HydrophobicContact CG1-CG1 3.99Å
484E30.5Very low31.3Very low193 Ų193146.3 Ų146.390%0.90273%0.729SS**  trans-83.76.7171.7-89.2-172.1164.100113.5
485Q30.5Very low30.7Very low186 Ų186151.8 Ų151.887%0.86974%0.743SS**  trans-122.326.2-173.1-70.3-166.4100116V483V483-Q485 VanDerWaalsContact C-N 3.27Å
486I26.5Very low30Very low131 Ų131148 Ų14867%0.67275%0.75SS**  trans-115.1100.4169.4-55.9179.4000109.3V483 V488V483-I486 HydrophobicContact CG1-CD1 3.81Å; V483-I486 HydrophobicContact CG1-CG1 3.99Å; I486-V488 HydrophobicContact CG2-CG2 3.9Å; I486-V488 PolarHBondContact O-N 2.88Å
487K25.3Very low29.2Very low211 Ų211152 Ų15292%0.91778%0.776SS**  trans-76.5104.7169.3-72.3179.9177178.20109.1
488V23.8Very low28.7Very low121 Ų121149.6 Ų149.673%0.73378%0.779SS**  trans-134.3136.4163.3-177.30000108.2I486I486-V488 HydrophobicContact CG2-CG2 3.9Å; I486-V488 PolarHBondContact O-N 2.88Å
489P26.2Very low28.1Very low110 Ų110151.6 Ų151.671%0.71478%0.779SS**  trans-91.7138-153.932.2-27.3000114.9
490R20.7Very low27.8Very low242 Ų242155.6 Ų155.691%0.91380%0.797SS**  trans54.4114149.1-61.5-179.9-170.2170.33.3119.2
491W25.8Very low27.5Very low244 Ų244155.7 Ų155.792%0.92479%0.794SS**  -162.4163.2105.7-156.662.8000112.8
492L23.4Very low27.3Very low153 Ų153158.1 Ų158.180%0.80180%0.795SS**  trans-129.4140.5-152.4-135.8123.4000111.6
493G24Very low27.2Very low65 Ų65153.9 Ų153.967%0.6777%0.773SS**  trans101.5137.5159.500000115.3
494I25.4Very low27.1Very low167 Ų167149.2 Ų149.286%0.85674%0.744SS**  cis-147.3144.814.3-74.8171.3000108.9
495M27.3Very low26.9Very low168 Ų168140.4 Ų140.483%0.82870%0.703SS**  trans-63.8128.3172.6-65.1-159.8-71.100112.5
496A26.7Very low26.8Very low99 Ų99131.7 Ų131.782%0.81866%0.662SS**  trans-130.2105.5152.100000108.5S498A496-S498 PolarHBondContact O-N 2.81Å
497N28.8Very low26.8Very low150 Ų150126.2 Ų126.280%0.80264%0.636SS**  trans-56.9118.7168.5-75.6-29.4000109.7
498S28.6Very low27.4Very low109 Ų109117 Ų11776%0.76260%0.595SS**  163.2126.7124.450.50000112.5A496A496-S498 PolarHBondContact O-N 2.81Å
499R28.6Very low27.8Very low231 Ų231113.8 Ų113.887%0.87258%0.578SS**  trans48.1105.3152.6-69.9-179.3175171.5-1.1118.9
500E30.9Very low28Very low195 Ų195113.2 Ų113.291%0.91157%0.565SS**  trans4683.2140-64.4-178.9-177.300116.4
501Q28.7Very low28.5Very low126 Ų126103.8 Ų103.859%0.58954%0.539SS*.  trans-112.4135.8157.6-74-179.4-24.700110E375 H377E375-Q501 WeakPolarHBondContact OE1-CB 3.38Å; H377-Q501 PolarHBondContact CE1-OE1 3.48Å; H377-Q501 PolarHBondContact ND1-OE1 3.28Å
502K29.6Very low28.6Very low147 Ų14795.3 Ų95.364%0.63952%0.517SS*.  trans-98.9128.5-175.6-95.5176.7174.9171.40107.6
503I29.2Very low29Very low64 Ų6495.2 Ų95.233%0.32851%0.513SS..  trans-90.7106.3-173.3-42.8-146.1000111.2E375 P471 L505E375-I503 HydrophobicContact CB-CB 3.89Å; E375-I503 HydrophobicContact CB-CD1 4Å; E375-I503 HydrophobicContact CB-CG1 4.01Å; E375-I503 HydrophobicContact CB-CG2 3.53Å; E375-I503 VanDerWaalsContact CD-CD1 3.43Å; E375-I503 HydrophobicContact CG-CB 3.92Å; E375-I503 HydrophobicContact CG-CD1 4.15Å; E375-I503 HydrophobicContact CG-CG1 3.8Å; E375-I503 HydrophobicContact CG-CG2 4.15Å; E375-I503 WeakPolarHBondContact OE1-CG1 3.41Å; E375-I503 WeakPolarHBondContact OE2-CD1 3.43Å; E375-I503 VanDerWaalsContact OE2-CG1 3.31Å; E375-I503 WeakPolarHBondContact OE2-CG1 3.45Å; P471-I503 WeakPolarHBondContact CB-O 3.2Å; P471-I503 WeakPolarHBondContact CD-O 3.2Å; P471-I503 WeakPolarHBondContact CG-O 3.29Å; I503-L505 HydrophobicContact CG2-CD1 4.39Å; I503-L505 HydrophobicContact CG2-CD2 3.6Å; I503-L505 HydrophobicContact CG2-CG 3.89Å
504E27.9Very low29.4Very low21 Ų21100.2 Ų100.210%0.09852%0.523CS..  trans-101.6127.6171.5-49.2176157.900112.4E374 V376 Y387 R468 N469E374-E504 CarbonylContact O-C 3.17Å; V376-E504 HydrophobicContact CB-CB 4.03Å; V376-E504 VanDerWaalsContact CB-O 3.31Å; V376-E504 WeakPolarHBondContact CB-O 3.44Å; V376-E504 WeakPolarHBondContact CG2-O 3.5Å; V376-E504 PolarHBondContact N-O 3.34Å; Y387-E504 VanDerWaalsContact CE1-OE1 3.28Å; Y387-E504 WeakPolarHBondContact CE1-OE1 3.41Å; Y387-E504 WeakPolarHBondContact CE1-OE2 3.36Å; Y387-E504 PolarHBondContact OH-OE1 3.24Å; Y387-E504 PolarHBondContact OH-OE2 3.32Å; R468-E504 WeakPolarHBondContact CD-OE2 2.84Å; R468-E504 IonicContact CZ-OE2 2.79Å; R468-E504 IonicContact NE-OE2 3.01Å; R468-E504 IonicContact NH1-OE2 2.89Å; R468-E504 PolarHBondContact NH1-OE2 2.96Å; N469-E504 WeakPolarHBondContact O-CB 3.41Å
505L27.2Very low29.7Very low8 Ų896.4 Ų96.44%0.04252%0.517CS..  trans-109.5144.4-158.8-77.5174.1000109.7V368 V373 E374 N469 I503V368-L505 HydrophobicContact CG2-CD1 3.51Å; V368-L505 HydrophobicContact CG2-CD2 4.16Å; V373-L505 HydrophobicContact CB-CB 3.31Å; V373-L505 HydrophobicContact CB-CD1 4.24Å; V373-L505 HydrophobicContact CB-CD2 3.31Å; V373-L505 HydrophobicContact CB-CG 3.69Å; V373-L505 HydrophobicContact CG1-CB 3.64Å; V373-L505 HydrophobicContact CG1-CG 4.48Å; V373-L505 HydrophobicContact CG2-CB 3.93Å; V373-L505 HydrophobicContact CG2-CD1 3.89Å; V373-L505 HydrophobicContact CG2-CD2 3.37Å; V373-L505 HydrophobicContact CG2-CG 3.86Å; V373-L505 WeakPolarHBondContact O-CD2 3.44Å; E374-L505 VanDerWaalsContact C-CD2 3.46Å; E374-L505 WeakPolarHBondContact O-CA 3.49Å; E374-L505 WeakPolarHBondContact O-CD2 3.43Å; N469-L505 PolarHBondContact N-O 3.45Å; N469-L505 PolarHBondContact ND2-O 3.21Å; N469-L505 WeakPolarHBondContact OD1-CB 3.35Å; N469-L505 PolarHBondContact OD1-O 2.8Å; I503-L505 HydrophobicContact CG2-CD1 4.39Å; I503-L505 HydrophobicContact CG2-CD2 3.6Å; I503-L505 HydrophobicContact CG2-CG 3.89Å
506H27.2Very low29.9Very low4 Ų494.7 Ų94.72%0.01951%0.506CS..  trans-128.4142-177.6-66.1161.5000115.3W372 V373 R464 D465 F467 R468 F508W372-H506 CarbonylContact C-O 3.6Å; V373-H506 WeakPolarHBondContact CG1-O 3.41Å; R464-H506 VanDerWaalsContact CB-ND1 3.3Å; R464-H506 WeakPolarHBondContact CB-ND1 3.28Å; R464-H506 PolarHBondContact O-CE1 2.84Å; R464-H506 PolarHBondContact O-ND1 3.41Å; R464-H506 PolarHBondContact O-NE2 3.02Å; D465-H506 PolarHBondContact N-CE1 3.18Å; F467-H506 HydrophobicContact CB-CB 4.08Å; F467-H506 PolarHBondContact O-CD2 2.9Å; R468-H506 WeakPolarHBondContact CA-CD2 3.33Å; R468-H506 WeakPolarHBondContact CA-NE2 3.5Å; R468-H506 WeakPolarHBondContact CG-NE2 3.43Å; R468-H506 PolarHBondContact N-CD2 3.05Å; R468-H506 PolarHBondContact N-NE2 2.86Å; R468-H506 VanDerWaalsContact N-NE2 3.13Å; H506-F508 HydrophobicContact CB-CE1 4.12Å; H506-F508 HydrophobicContact CB-CE2 3.7Å; H506-F508 HydrophobicContact CB-CZ 3.36Å; H506-F508 AromaticContact CG-CZ 3.98Å
507S28Very low30.5Very low16 Ų1694.5 Ų94.511%0.11250%0.495CS..  trans-126.8142.7179.9790000113.8F407 F467F407-S507 WeakPolarHBondContact CD2-OG 3.46Å; F467-S507 WeakPolarHBondContact CD1-O 3.46Å; F467-S507 WeakPolarHBondContact CE1-O 3.37Å
508F38.4Very low31.1Very low16 Ų1694.8 Ų94.87%0.0749%0.492CS..  trans-135.3-172.7-172.3-48.1-63.3000115.4F454 I457 L459 R464 F467 H506F454-F508 CarbonylContact C-O 3.57Å; F454-F508 CarbonylContact O-C 3.36Å; F454-F508 VanDerWaalsContact O-C 3.27Å; I457-F508 WeakPolarHBondContact O-CB 3.5Å; L459-F508 HydrophobicContact CB-CD1 3.87Å; L459-F508 HydrophobicContact CB-CD2 3.73Å; L459-F508 HydrophobicContact CB-CE1 3.74Å; L459-F508 HydrophobicContact CB-CE2 3.59Å; L459-F508 HydrophobicContact CB-CG 3.81Å; L459-F508 HydrophobicContact CB-CZ 3.55Å; L459-F508 HydrophobicContact CD1-CD1 3.13Å; L459-F508 HydrophobicContact CD1-CD2 4.49Å; L459-F508 HydrophobicContact CD1-CE1 2.88Å; L459-F508 HydrophobicContact CD1-CE2 4.3Å; L459-F508 HydrophobicContact CD1-CG 3.93Å; L459-F508 HydrophobicContact CD1-CZ 3.51Å; L459-F508 HydrophobicContact CD2-CD1 4.21Å; L459-F508 HydrophobicContact CD2-CG 4.4Å; L459-F508 HydrophobicContact CG-CB 3.94Å; L459-F508 HydrophobicContact CG-CD1 3.09Å; L459-F508 HydrophobicContact CG-CD2 3.83Å; L459-F508 HydrophobicContact CG-CE1 3.3Å; L459-F508 HydrophobicContact CG-CE2 3.98Å; L459-F508 HydrophobicContact CG-CG 3.34Å; L459-F508 HydrophobicContact CG-CZ 3.7Å; R464-F508 HydrophobicContact CB-CZ 4.26Å; R464-F508 HydrophobicContact CG-CE2 4.07Å; R464-F508 HydrophobicContact CG-CZ 3.91Å; F467-F508 HydrophobicContact CB-CD1 4.43Å; F467-F508 HydrophobicContact CB-CE1 3.51Å; F467-F508 HydrophobicContact CB-CZ 4.1Å; F467-F508 AromaticContact CD1-CD1 3.84Å; F467-F508 HydrophobicContact CD1-CD1 3.84Å; F467-F508 AromaticContact CD1-CE1 3.74Å; F467-F508 HydrophobicContact CD1-CE1 3.74Å; F467-F508 HydrophobicContact CD2-CD1 4.19Å; F467-F508 AromaticContact CD2-CE1 3.63Å; F467-F508 HydrophobicContact CD2-CE1 3.63Å; F467-F508 HydrophobicContact CE1-CD1 4.06Å; F467-F508 HydrophobicContact CE1-CE1 4.33Å; F467-F508 HydrophobicContact CE2-CD1 4.41Å; F467-F508 HydrophobicContact CE2-CE1 4.25Å; F467-F508 AromaticContact CG-CD1 3.91Å; F467-F508 HydrophobicContact CG-CD1 3.91Å; F467-F508 AromaticContact CG-CE1 3.34Å; F467-F508 HydrophobicContact CG-CE1 3.34Å; F467-F508 HydrophobicContact CG-CZ 4.38Å; F467-F508 HydrophobicContact CZ-CD1 4.34Å; H506-F508 HydrophobicContact CB-CE1 4.12Å; H506-F508 HydrophobicContact CB-CE2 3.7Å; H506-F508 HydrophobicContact CB-CZ 3.36Å; H506-F508 AromaticContact CG-CZ 3.98Å
509C31.2Very low31.9Very low55 Ų5599.2 Ų99.237%0.37250%0.498SS..  trans-161.2159.3-16253.10000114F454 I457F454-C509 HydrophobicContact CB-CB 4.22Å; F454-C509 HydrophobicContact CD1-CB 3.54Å; F454-C509 HydrophobicContact CE1-CB 4.36Å; F454-C509 HydrophobicContact CG-CB 4.28Å; I457-C509 VanDerWaalsContact CG2-C 3.49Å; I457-C509 VanDerWaalsContact CG2-O 3.29Å; I457-C509 WeakPolarHBondContact CG2-O 3.18Å
510H30.8Very low32.5Very low97 Ų9794.2 Ų94.245%0.44948%0.484SS..  trans109.6110.7165.1-145.8-93.4000124.1I457I457-H510 VanDerWaalsContact CD1-O 3.23Å; I457-H510 WeakPolarHBondContact CD1-O 3.2Å
511A29.7Very low33Very low44 Ų4493.1 Ų93.136%0.36447%0.472SS..  trans59128.5148.400000125.3
512S28.3Very low33.2Very low66 Ų6693.1 Ų93.146%0.46248%0.483SS..  trans-129.5125.6150.365.90000110
513E32.2Very low33.4Very low152 Ų15293.6 Ų93.671%0.7149%0.487SS*.  trans175.479.3155.1-103.7179.2-170.800105.7N430N430-E513 PolarHBondContact ND2-OE2 3.25Å
514L32.2Very low33.8Very low170 Ų17099 Ų9989%0.8951%0.511SS*.  trans178.420.4158.1-97.3165.4000113.7Q516L514-Q516 PolarHBondContact O-N 3.37Å; L514-Q516 VanDerWaalsContact O-N 3.11Å
515A31.5Very low34.2Very low86 Ų86103.7 Ų103.771%0.71154%0.543SS*.  trans-8581.8172.800000110.1
516Q31.7Very low34.7Very low132 Ų132113.8 Ų113.862%0.61758%0.581SS**  trans-70.3135.8154-77.3-179.8-16.800107.9L514L514-Q516 PolarHBondContact O-N 3.37Å; L514-Q516 VanDerWaalsContact O-N 3.11Å
517T39.4Very low35.3Very low95 Ų95119.2 Ų119.258%0.58362%0.617SS**  trans-58.2139.9-176.851.10000110.9K519 E520T517-K519 PolarHBondContact O-N 3.22Å; T517-E520 PolarHBondContact O-N 3.41Å
518E41.4Very low35.7Very low157 Ų157125.4 Ų125.473%0.73465%0.648SS**G310 helixtrans-44.4-28.8-177.8-171.8179-176.200114.7E520 W521E518-E520 PolarHBondContact O-N 2.85Å; E518-W521 PolarHBondContact O-N 2.85Å
519K45.8Very low35.5Very low202 Ų202132.3 Ų132.388%0.87869%0.686SS**G310 helixtrans-61-21.1176.4-68.1-172.8178.1-177.60114.9T517T517-K519 PolarHBondContact O-N 3.22Å
520E41.5Very low35.6Very low126 Ų126135.1 Ų135.159%0.58970%0.701SS**G310 helixtrans-97.61.3-178.1-63-172.2159.900113.3T517 E518T517-E520 PolarHBondContact O-N 3.41Å; E518-E520 PolarHBondContact O-N 2.85Å
521W40.4Very low35.6Very low172 Ų172139.8 Ų139.865%0.65272%0.723SS**SBendtrans-74.1132.9179.6-71.326.5000109.9E518 Q523E518-W521 PolarHBondContact O-N 2.85Å; W521-Q523 PolarHBondContact O-N 3.4Å
522P33.2Very low35.6Very low126 Ų126146 Ų14682%0.81875%0.745SS**  trans-61.2112.4173.423.4-30.3000108.8E524P522-E524 PolarHBondContact O-N 2.87Å
523Q35.3Very low36Very low156 Ų156150.9 Ų150.973%0.72976%0.761SS**  trans-66.6115.4175.8-65.2-79.5-42.800107.9W521W521-Q523 PolarHBondContact O-N 3.4Å
524E36.3Very low36Very low177 Ų177152.1 Ų152.183%0.82777%0.771SS**PPolyproline II helixtrans-56.7128.4166.6-89.7-179.8164.300108.2P522 R526P522-E524 PolarHBondContact O-N 2.87Å; E524-R526 PolarHBondContact O-N 2.77Å
525P36.4Very low36.1Very low121 Ų121152.4 Ų152.479%0.78677%0.765SS**PPolyproline II helixtrans-59.5118.8175.4-0.56.9000107.7
526R37Very low36.3Very low220 Ų220157.5 Ų157.583%0.8377%0.774SS**PPolyproline II helixtrans-56.5127.5171.4-71-179.4-179.3-179.8-0.4107.2E524 D528E524-R526 PolarHBondContact O-N 2.77Å; R526-D528 PolarHBondContact O-N 3.16Å
527P40.3Very low36.3Very low118 Ų118161.8 Ų161.877%0.76679%0.785SS**  trans-64.6108.3174.926.2-29.9000106.6D529P527-D529 PolarHBondContact O-N 3.16Å; P527-D529 VanDerWaalsContact O-N 3.14Å
528D37.6Very low36Very low146 Ų146166.6 Ų166.678%0.78180%0.8SS**  trans-58.6118.1167.5-102.9-26.8000106.7R526 T530R526-D528 PolarHBondContact O-N 3.16Å; D528-T530 PolarHBondContact O-N 2.8Å; D528-T530 PolarHBondContact O-OG1 3.43Å
529D33.5Very low35.5Very low161 Ų161164.6 Ų164.686%0.86180%0.799SS**  trans-60.478.7169.3-82.6-41.1000108.9P527P527-D529 PolarHBondContact O-N 3.16Å; P527-D529 VanDerWaalsContact O-N 3.14Å
530T32.3Very low34.9Very low113 Ų113160.5 Ų160.569%0.69380%0.796SS**  trans-111.592.3162.621.60000106.7D528 E532D528-T530 PolarHBondContact O-N 2.8Å; D528-T530 PolarHBondContact O-OG1 3.43Å; T530-E532 PolarHBondContact O-N 2.79Å
531Q30.7Very low34.8Very low195 Ų195161.3 Ų161.391%0.91180%0.803SS**  trans-62.375.6162.6-69-174-27.300108.9
532E31.7Very low34.4Very low174 Ų174161.4 Ų161.481%0.81381%0.811SS**  trans-93.2106.4162.2-80.8-164.3153.800108.5T530 L534T530-E532 PolarHBondContact O-N 2.79Å; E532-L534 PolarHBondContact O-N 3.38Å
533E35.2Very low34.6Very low170 Ų170160.7 Ų160.779%0.79480%0.804SS**  trans-43.1121.1172.5-67.5177.1145.900111.3K535E533-K535 PolarHBondContact O-N 2.95Å
534L32.8Very low34.4Very low177 Ų177160.5 Ų160.593%0.92781%0.808SS**  trans-60.482170.8-75.2155.8000110.2E532 E536E532-L534 PolarHBondContact O-N 3.38Å; L534-E536 PolarHBondContact O-N 3.15Å
535K33.8Very low34.4Very low176 Ų176159.5 Ų159.577%0.76581%0.807SS**  trans-74.8111.2161.4-80.5-177.3177.9173.40108E533 R537E533-K535 PolarHBondContact O-N 2.95Å; K535-R537 PolarHBondContact O-N 2.8Å
536E35.2Very low34.6Very low193 Ų193157.7 Ų157.790%0.90280%0.798SS**  trans-46.2103.4169.2-77179143.800109.8L534 E538L534-E536 PolarHBondContact O-N 3.15Å; E536-E538 PolarHBondContact O-N 2.79Å
537R31.9Very low34.8Very low223 Ų223159.1 Ų159.184%0.84280%0.803SS**  trans-84.7103.8166.3-82.2-174.4173.6177.70.4107.5K535 T539K535-R537 PolarHBondContact O-N 2.8Å; R537-T539 VanDerWaalsContact C-N 3.28Å; R537-T539 PolarHBondContact O-N 2.86Å; R537-T539 PolarHBondContact O-OG1 3.28Å
538E33Very low34.9Very low195 Ų195160.2 Ų160.291%0.91180%0.798SS**  trans-54.894.9161.9-71.6-175.1157.300108.8E536 S540E536-E538 PolarHBondContact O-N 2.79Å; E538-S540 PolarHBondContact O-N 2.97Å
539T32.3Very low35.7Very low115 Ų115158.2 Ų158.271%0.70679%0.787SS**  trans-90.7104.2175.323.60000107.4R537 I541R537-T539 VanDerWaalsContact C-N 3.28Å; R537-T539 PolarHBondContact O-N 2.86Å; R537-T539 PolarHBondContact O-OG1 3.28Å; T539-I541 PolarHBondContact O-N 3.07Å
540S31.8Very low36.6Very low117 Ų117158 Ų15882%0.81878%0.781SS**  trans-69.7109.8168.251.20000108.9E538 Q542E538-S540 PolarHBondContact O-N 2.97Å; S540-Q542 PolarHBondContact O-N 2.97Å
541I39.8Very low37.7Very low142 Ų142154 Ų15473%0.72876%0.755SS**  trans-82.7106.9177.6-59.5172.1000107.9T539 V543T539-I541 PolarHBondContact O-N 3.07Å; I541-V543 HydrophobicContact CG2-CG2 3.88Å; I541-V543 PolarHBondContact O-N 3.33Å
542Q33.4Very low39.1Very low175 Ų175149.9 Ų149.982%0.81874%0.739SS**  trans-75.6109.8164.3-76.2-170.5-16.800109.4S540 N544S540-Q542 PolarHBondContact O-N 2.97Å; Q542-N544 PolarHBondContact O-N 3.34Å
543V36Very low40.9Very low110 Ų110152.4 Ų152.467%0.66774%0.741SS**  trans-88.896.3177.3-177.20000109.1I541 L545I541-V543 HydrophobicContact CG2-CG2 3.88Å; I541-V543 PolarHBondContact O-N 3.33Å; V543-L545 HydrophobicContact CG1-CD1 4.47Å; V543-L545 PolarHBondContact O-N 3.19Å
544N32.5Very low42.7Very low153 Ų153146.3 Ų146.382%0.81871%0.714SS**  trans-76.5114167.4-83.4-22.3000109.6Q542 S546Q542-N544 PolarHBondContact O-N 3.34Å; N544-S546 PolarHBondContact O-N 3.42Å
545L34.7Very low44.9Very low155 Ų155139.4 Ų139.481%0.81268%0.68SS**  trans-9389.5-176.9-129.3138.2000109.4V543V543-L545 HydrophobicContact CG1-CD1 4.47Å; V543-L545 PolarHBondContact O-N 3.19Å
546S41Very low47.2Very low84 Ų84131.9 Ų131.959%0.58765%0.65SS**  trans-80.5120.4167.355.60000109.4N544 E548N544-S546 PolarHBondContact O-N 3.42Å; S546-E548 VanDerWaalsContact C-N 3.28Å; S546-E548 PolarHBondContact O-N 2.9Å
547R40.5Very low49.3Very low250 Ų250130.1 Ų130.194%0.94364%0.642SS**  trans-82.972.5178.5-160.5-174.4-159.3-172.46.5109.7
548E43.8Very low51.7Low141 Ų141125 Ų12566%0.65964%0.638SS**  trans-91.9150165.3-74.8178.3169.100109.8S546 E550S546-E548 VanDerWaalsContact C-N 3.28Å; S546-E548 PolarHBondContact O-N 2.9Å; E548-E550 PolarHBondContact O-N 3.31Å; E548-E550 VanDerWaalsContact O-N 3.07Å
549D53.8Low54.1Low104 Ų104116.4 Ų116.456%0.55660%0.599SS**  trans-56.6114.2-178.9-175.624.3000110.1L551 D552 K606D549-L551 PolarHBondContact O-N 2.98Å; D549-D552 PolarHBondContact O-N 3.05Å; D549-K606 IonicContact OD2-NZ 2.95Å; D549-K606 PolarHBondContact OD2-NZ 3.41Å
550E53Low56.6Low157 Ų157114.3 Ų114.373%0.73459%0.589SS**THydrogen-bonded Turntrans-53.3-20.1-164.3-66.5179.3166.200114.4E548E548-E550 PolarHBondContact O-N 3.31Å; E548-E550 VanDerWaalsContact O-N 3.07Å
551L54.7Low59.3Low27 Ų27114.3 Ų114.314%0.14158%0.576CS.*THydrogen-bonded Turntrans-92.8-10.5-176.7-111.676.1000115.7D549 R553 L554 T602 W603 K606D549-L551 PolarHBondContact O-N 2.98Å; L551-R553 PolarHBondContact O-N 3.03Å; L551-L554 PolarHBondContact O-N 3.3Å; L551-T602 HydrophobicContact CD1-CG2 4.23Å; L551-T602 HydrophobicContact CD2-CG2 3.89Å; L551-W603 HydrophobicContact CD2-CD2 4.1Å; L551-W603 HydrophobicContact CD2-CE3 4.23Å; L551-W603 HydrophobicContact CD2-CH2 3.66Å; L551-W603 HydrophobicContact CD2-CZ2 3.54Å; L551-W603 HydrophobicContact CD2-CZ3 4.02Å; L551-W603 HydrophobicContact CG-CH2 4.23Å; L551-W603 HydrophobicContact CG-CZ2 4.08Å; L551-K606 HydrophobicContact CB-CD 3.99Å; L551-K606 HydrophobicContact CD2-CD 3.84Å
552D60.7Low61.9Low110 Ų110107.7 Ų107.759%0.58854%0.542SS*.THydrogen-bonded Turntrans-67.7-24.3-176.6-76.1-9000112.7D549 L554 K606D549-D552 PolarHBondContact O-N 3.05Å; D552-L554 VanDerWaalsContact C-N 3.35Å; D552-K606 IonicContact OD1-NZ 3.17Å; D552-K606 PolarHBondContact OD1-NZ 3.45Å
553R68.3Low64.8Low226 Ų226101.9 Ų101.985%0.85352%0.515SS*.THydrogen-bonded Turntrans-69.5-29172-66.2-171.3178.9-176.60.7113.4L551 S555L551-R553 PolarHBondContact O-N 3.03Å; R553-S555 PolarHBondContact O-N 3.19Å
554L74.1Confident67.5Low43 Ų43104 Ų10423%0.22551%0.511CS..SBendtrans-99.867.9-179.5-167.473.5000110.3L551 D552 I559 L565 I568 T569 W603L551-L554 PolarHBondContact O-N 3.3Å; D552-L554 VanDerWaalsContact C-N 3.35Å; L554-I559 HydrophobicContact CD1-CD1 4.23Å; L554-L565 HydrophobicContact CD2-CD1 4.04Å; L554-L565 HydrophobicContact CG-CD1 4.14Å; L554-I568 HydrophobicContact CD1-CG2 3.66Å; L554-I568 HydrophobicContact CD2-CB 4.37Å; L554-I568 HydrophobicContact CD2-CG2 3.85Å; L554-I568 HydrophobicContact CG-CG2 4.45Å; L554-T569 WeakPolarHBondContact CD2-OG1 3.34Å; L554-W603 HydrophobicContact CD2-CZ2 4.18Å; L554-W603 HydrophobicContact CG-CZ2 4.43Å; L554-W603 WeakPolarHBondContact O-CH2 2.99Å; L554-W603 WeakPolarHBondContact O-CZ2 3.38Å
555S78.7Confident70.4Confident31 Ų3196.7 Ų96.722%0.21747%0.472CS..  trans-70.3130.6-178.6-179.40000112.4R553 Q557 C558R553-S555 PolarHBondContact O-N 3.19Å; S555-Q557 PolarHBondContact O-N 3.03Å; S555-Q557 VanDerWaalsContact O-N 3.09Å; S555-Q557 WeakPolarHBondContact OG-CB 3.34Å; S555-Q557 WeakPolarHBondContact OG-CG 3.36Å; S555-Q557 PolarHBondContact OG-N 2.96Å; S555-C558 PolarHBondContact O-N 2.86Å
556P81.2Confident73.3Confident19 Ų1989.7 Ų89.712%0.12344%0.435CS..G310 helixtrans-58.5-22.1171.8-24.535.1000113.2C558 I559 L565 W603 Q670 F671 L674P556-C558 PolarHBondContact O-N 2.75Å; P556-I559 PolarHBondContact O-N 2.8Å; P556-L565 HydrophobicContact CB-CD2 4.1Å; P556-L565 HydrophobicContact CG-CD2 4.13Å; P556-W603 HydrophobicContact CG-CE3 3.88Å; P556-W603 HydrophobicContact CG-CH2 3.57Å; P556-W603 HydrophobicContact CG-CZ2 4.33Å; P556-W603 HydrophobicContact CG-CZ3 3.28Å; P556-Q670 HydrophobicContact CB-CB 4.13Å; P556-Q670 HydrophobicContact CB-CG 4.09Å; P556-Q670 WeakPolarHBondContact O-CG 3.11Å; P556-F671 HydrophobicContact CG-CB 4.45Å; P556-L674 HydrophobicContact CB-CD1 4.47Å
557Q80.4Confident75.9Confident156 Ų15691.2 Ų91.273%0.72943%0.428SS*.G310 helixtrans-61.8-31.2179.3-62170.41.200112.5S555 I559 Q670S555-Q557 PolarHBondContact O-N 3.03Å; S555-Q557 VanDerWaalsContact O-N 3.09Å; S555-Q557 WeakPolarHBondContact OG-CB 3.34Å; S555-Q557 WeakPolarHBondContact OG-CG 3.36Å; S555-Q557 PolarHBondContact OG-N 2.96Å; Q557-I559 VanDerWaalsContact C-N 3.3Å; Q557-I559 PolarHBondContact O-N 3.47Å; Q557-Q670 HydrophobicContact CG-CB 4.29Å
558C81.5Confident78.4Confident114 Ų11482 Ų8277%0.7740%0.396SS*.G310 helixtrans-87.62.2-179.1-57.30000113.1S555 P556S555-C558 PolarHBondContact O-N 2.86Å; P556-C558 PolarHBondContact O-N 2.75Å
559I83.5Confident80.7Confident16 Ų1675.3 Ų75.38%0.08237%0.366CS..  trans-122.3130.2-174.3-64.9168.3000110.3L554 P556 Q557 Q561 R564 L565 I568 L674L554-I559 HydrophobicContact CD1-CD1 4.23Å; P556-I559 PolarHBondContact O-N 2.8Å; Q557-I559 VanDerWaalsContact C-N 3.3Å; Q557-I559 PolarHBondContact O-N 3.47Å; I559-Q561 WeakPolarHBondContact CG2-O 3.39Å; I559-R564 HydrophobicContact CG2-CB 4.18Å; I559-R564 HydrophobicContact CG2-CG 4.47Å; I559-L565 HydrophobicContact CD1-CB 4.14Å; I559-L565 HydrophobicContact CD1-CD1 3.47Å; I559-L565 VanDerWaalsContact CD1-CD1 3.47Å; I559-L565 HydrophobicContact CD1-CG 4.43Å; I559-L565 HydrophobicContact CG2-CB 4.1Å; I559-I568 HydrophobicContact CD1-CD1 4.27Å; I559-L674 WeakPolarHBondContact O-CD1 3.49Å
560S84.4Confident82.7Confident71 Ų7170.4 Ų70.450%0.49734%0.339SS..SBendtrans-90-16.4-176.258.20000114.5L674S560-L674 VanDerWaalsContact C-CD2 3.44Å; S560-L674 VanDerWaalsContact O-CD2 3.22Å; S560-L674 WeakPolarHBondContact O-CD2 3.43Å
561Q90Very high84.7Confident116 Ų11668.5 Ų68.554%0.54233%0.325SS..  trans-133.4129.3-175.2-66.3-177.9-5.700111.6I559 E563 R564 L565I559-Q561 WeakPolarHBondContact CG2-O 3.39Å; Q561-E563 VanDerWaalsContact C-N 3.32Å; Q561-E563 PolarHBondContact O-N 3.15Å; Q561-R564 HydrophobicContact CB-CB 4.41Å; Q561-R564 PolarHBondContact O-N 3.07Å; Q561-L565 PolarHBondContact O-N 2.91Å
562L93.8Very high86.5Confident4 Ų470.5 Ų70.52%0.02134%0.341CS..Hα-helixtrans-60.4-39.5-179.5-178.157000112.7R564 L565 I566 F671 L674 L675 R678L562-R564 VanDerWaalsContact C-N 3.27Å; L562-R564 PolarHBondContact O-N 2.76Å; L562-L565 HydrophobicContact CD1-CD2 4.16Å; L562-L565 WeakPolarHBondContact O-CB 3.35Å; L562-L565 PolarHBondContact O-N 2.84Å; L562-L565 VanDerWaalsContact O-N 3.13Å; L562-I566 HydrophobicContact CD1-CD1 4.1Å; L562-I566 HydrophobicContact CD1-CG1 3.99Å; L562-I566 HydrophobicContact CG-CG1 4.17Å; L562-I566 WeakPolarHBondContact O-CG1 3.5Å; L562-I566 PolarHBondContact O-N 2.73Å; L562-F671 HydrophobicContact CD1-CD2 3.97Å; L562-F671 HydrophobicContact CD1-CE2 3.53Å; L562-F671 HydrophobicContact CD1-CZ 4.2Å; L562-L674 HydrophobicContact CB-CB 4.05Å; L562-L675 HydrophobicContact CD2-CB 3.82Å; L562-L675 HydrophobicContact CD2-CD1 4.45Å; L562-L675 HydrophobicContact CD2-CG 4.16Å; L562-R678 HydrophobicContact CB-CB 4.25Å; L562-R678 HydrophobicContact CD2-CB 4.46Å
563E93.5Very high88.1Confident53 Ų5368.6 Ų68.625%0.24833%0.329CS..Hα-helixtrans-58.8-39.1179.6-66.3-63.1164.400112.5Q561 R567 R678 R682Q561-E563 VanDerWaalsContact C-N 3.32Å; Q561-E563 PolarHBondContact O-N 3.15Å; E563-R567 WeakPolarHBondContact O-CB 3.46Å; E563-R567 WeakPolarHBondContact O-CG 3.38Å; E563-R567 PolarHBondContact O-N 2.8Å; E563-R678 IonicContact OE1-CZ 2.93Å; E563-R678 IonicContact OE1-NE 3.48Å; E563-R678 PolarHBondContact OE1-NE 3.34Å; E563-R678 IonicContact OE1-NH2 3.97Å; E563-R678 PolarHBondContact OE1-NH2 3.36Å; E563-R678 IonicContact OE2-NH2 3.45Å; E563-R682 IonicContact OE1-CZ 3.57Å; E563-R682 VanDerWaalsContact OE1-CZ 3.3Å; E563-R682 IonicContact OE1-NE 3.2Å; E563-R682 IonicContact OE1-NH1 2.73Å; E563-R682 IonicContact OE1-NH2 2.82Å; E563-R682 PolarHBondContact OE1-NH2 2.83Å
564R93.2Very high89.3Confident154 Ų15458.5 Ų58.558%0.58129%0.29SS*.Hα-helixtrans-65.1-43.5177.3-175.6175.1176.3178.4-1.2110.8I559 Q561 L562 R567 I568I559-R564 HydrophobicContact CG2-CB 4.18Å; I559-R564 HydrophobicContact CG2-CG 4.47Å; Q561-R564 HydrophobicContact CB-CB 4.41Å; Q561-R564 PolarHBondContact O-N 3.07Å; L562-R564 VanDerWaalsContact C-N 3.27Å; L562-R564 PolarHBondContact O-N 2.76Å; R564-R567 PolarHBondContact O-N 2.78Å; R564-I568 HydrophobicContact CG-CD1 3.85Å; R564-I568 WeakPolarHBondContact O-CD1 3.23Å; R564-I568 VanDerWaalsContact O-CG1 3.25Å; R564-I568 WeakPolarHBondContact O-CG1 3.27Å; R564-I568 PolarHBondContact O-N 2.88Å
565L93.2Very high90.2Very high0 Ų063.8 Ų63.80%031%0.312CS..Hα-helixtrans-58.9-52.6176.5179.868.4000111.2L554 P556 I559 Q561 L562 R567 I568 T569 W603 F671L554-L565 HydrophobicContact CD2-CD1 4.04Å; L554-L565 HydrophobicContact CG-CD1 4.14Å; P556-L565 HydrophobicContact CB-CD2 4.1Å; P556-L565 HydrophobicContact CG-CD2 4.13Å; I559-L565 HydrophobicContact CD1-CB 4.14Å; I559-L565 HydrophobicContact CD1-CD1 3.47Å; I559-L565 VanDerWaalsContact CD1-CD1 3.47Å; I559-L565 HydrophobicContact CD1-CG 4.43Å; I559-L565 HydrophobicContact CG2-CB 4.1Å; Q561-L565 PolarHBondContact O-N 2.91Å; L562-L565 HydrophobicContact CD1-CD2 4.16Å; L562-L565 WeakPolarHBondContact O-CB 3.35Å; L562-L565 PolarHBondContact O-N 2.84Å; L562-L565 VanDerWaalsContact O-N 3.13Å; L565-R567 VanDerWaalsContact C-N 3.34Å; L565-R567 PolarHBondContact O-N 3.42Å; L565-I568 PolarHBondContact O-N 2.89Å; L565-T569 PolarHBondContact O-N 3.35Å; L565-T569 PolarHBondContact O-OG1 2.9Å; L565-W603 HydrophobicContact CD1-CH2 4.43Å; L565-W603 HydrophobicContact CD1-CZ2 3.61Å; L565-W603 HydrophobicContact CD2-CD2 4.07Å; L565-W603 HydrophobicContact CD2-CG 4.38Å; L565-W603 HydrophobicContact CD2-CZ2 4.35Å; L565-W603 HydrophobicContact CG-CZ2 4.24Å; L565-F671 HydrophobicContact CD2-CD2 3.78Å; L565-F671 HydrophobicContact CD2-CE2 4.22Å
566I95.3Very high90.8Very high7 Ų764.1 Ų64.14%0.03631%0.314CS..Hα-helixtrans-61.2-42.2-179.1-62.2-48.9000111.6L562 T569 A570 L596 A599 E600 F671L562-I566 HydrophobicContact CD1-CD1 4.1Å; L562-I566 HydrophobicContact CD1-CG1 3.99Å; L562-I566 HydrophobicContact CG-CG1 4.17Å; L562-I566 WeakPolarHBondContact O-CG1 3.5Å; L562-I566 PolarHBondContact O-N 2.73Å; I566-T569 PolarHBondContact O-N 3.42Å; I566-A570 WeakPolarHBondContact O-CB 3.06Å; I566-A570 PolarHBondContact O-N 2.84Å; I566-L596 HydrophobicContact CG2-CB 4.24Å; I566-L596 HydrophobicContact CG2-CD2 4.07Å; I566-L596 VanDerWaalsContact CG2-O 3.32Å; I566-L596 WeakPolarHBondContact CG2-O 3.47Å; I566-A599 HydrophobicContact CG2-CB 3.92Å; I566-A599 WeakPolarHBondContact O-CB 3.34Å; I566-E600 HydrophobicContact CD1-CB 4.13Å; I566-E600 HydrophobicContact CD1-CG 4.49Å; I566-F671 HydrophobicContact CD1-CE2 4.26Å
567R95.7Very high91.4Very high117 Ų11768.8 Ų68.844%0.44233%0.329SS..Hα-helixtrans-65.6-42.3178.6-71.8176.175.886.4-0.1112.6E563 R564 L565 A570 W571 L591 L596E563-R567 WeakPolarHBondContact O-CB 3.46Å; E563-R567 WeakPolarHBondContact O-CG 3.38Å; E563-R567 PolarHBondContact O-N 2.8Å; R564-R567 PolarHBondContact O-N 2.78Å; L565-R567 VanDerWaalsContact C-N 3.34Å; L565-R567 PolarHBondContact O-N 3.42Å; R567-A570 PolarHBondContact O-N 3.13Å; R567-W571 PolarHBondContact O-N 3.48Å; R567-L591 HydrophobicContact CB-CD1 4.16Å; R567-L591 HydrophobicContact CG-CD1 4.28Å; R567-L596 HydrophobicContact CG-CD2 3.84Å
568I93.4Very high92.1Very high55 Ų5562.8 Ų62.828%0.28230%0.302SS..Hα-helixtrans-61.9-47.3176.4-66.8164.9000109.7L554 I559 R564 L565 A570 W571 C572L554-I568 HydrophobicContact CD1-CG2 3.66Å; L554-I568 HydrophobicContact CD2-CB 4.37Å; L554-I568 HydrophobicContact CD2-CG2 3.85Å; L554-I568 HydrophobicContact CG-CG2 4.45Å; I559-I568 HydrophobicContact CD1-CD1 4.27Å; R564-I568 HydrophobicContact CG-CD1 3.85Å; R564-I568 WeakPolarHBondContact O-CD1 3.23Å; R564-I568 VanDerWaalsContact O-CG1 3.25Å; R564-I568 WeakPolarHBondContact O-CG1 3.27Å; R564-I568 PolarHBondContact O-N 2.88Å; L565-I568 PolarHBondContact O-N 2.89Å; I568-A570 VanDerWaalsContact C-N 3.32Å; I568-A570 PolarHBondContact O-N 3.4Å; I568-W571 WeakPolarHBondContact O-CB 2.93Å; I568-W571 PolarHBondContact O-N 2.97Å; I568-W571 VanDerWaalsContact O-N 3.14Å; I568-C572 PolarHBondContact O-N 3.45Å; I568-C572 PolarHBondContact O-SG 2.92Å
569T92.8Very high92.6Very high2 Ų260.7 Ų60.71%0.01229%0.293CS..Hα-helixtrans-60.8-40177.4-54.30000112.2L554 L565 I566 W571 C572 H573 A599 W603L554-T569 WeakPolarHBondContact CD2-OG1 3.34Å; L565-T569 PolarHBondContact O-N 3.35Å; L565-T569 PolarHBondContact O-OG1 2.9Å; I566-T569 PolarHBondContact O-N 3.42Å; T569-W571 VanDerWaalsContact C-N 3.34Å; T569-W571 PolarHBondContact O-N 2.68Å; T569-C572 WeakPolarHBondContact O-CB 3.45Å; T569-C572 PolarHBondContact O-N 2.82Å; T569-H573 PolarHBondContact O-N 2.79Å; T569-A599 HydrophobicContact CG2-CB 3.9Å; T569-W603 PolarHBondContact OG1-NE1 3.06Å
570A95.3Very high93Very high0 Ų069 Ų690%032%0.323CS..Hα-helixtrans-64.5-37.4175.800000112.5I566 R567 I568 H573 R574 L591 E595 L596 A599I566-A570 WeakPolarHBondContact O-CB 3.06Å; I566-A570 PolarHBondContact O-N 2.84Å; R567-A570 PolarHBondContact O-N 3.13Å; I568-A570 VanDerWaalsContact C-N 3.32Å; I568-A570 PolarHBondContact O-N 3.4Å; A570-H573 PolarHBondContact O-N 3.16Å; A570-R574 WeakPolarHBondContact O-CB 3.37Å; A570-R574 PolarHBondContact O-N 3.33Å; A570-L591 HydrophobicContact CB-CD1 3.83Å; A570-L591 HydrophobicContact CB-CD2 3.95Å; A570-L591 HydrophobicContact CB-CG 4.48Å; A570-E595 HydrophobicContact CB-CB 4.35Å; A570-L596 HydrophobicContact CB-CD2 4.1Å; A570-A599 HydrophobicContact CB-CB 3.87Å
571W95.8Very high93.3Very high117 Ų11769.3 Ų69.344%0.44332%0.316SS..Hα-helixtrans-65.4-41.7172-77.9122.1000112.5R567 I568 T569 H573 R574 F575 G589 L591R567-W571 PolarHBondContact O-N 3.48Å; I568-W571 WeakPolarHBondContact O-CB 2.93Å; I568-W571 PolarHBondContact O-N 2.97Å; I568-W571 VanDerWaalsContact O-N 3.14Å; T569-W571 VanDerWaalsContact C-N 3.34Å; T569-W571 PolarHBondContact O-N 2.68Å; W571-H573 VanDerWaalsContact C-N 3.35Å; W571-H573 PolarHBondContact O-N 3.08Å; W571-R574 VanDerWaalsContact CZ3-NH1 3.33Å; W571-R574 PolarHBondContact O-N 2.9Å; W571-F575 WeakPolarHBondContact O-CB 3.43Å; W571-F575 PolarHBondContact O-N 2.84Å; W571-G589 WeakPolarHBondContact CH2-O 3.41Å; W571-L591 HydrophobicContact CD2-CD1 4.23Å; W571-L591 HydrophobicContact CD2-CD2 3.86Å; W571-L591 HydrophobicContact CD2-CG 4.12Å; W571-L591 HydrophobicContact CE3-CD2 4.06Å; W571-L591 HydrophobicContact CG-CD1 4.2Å; W571-L591 HydrophobicContact CG-CD2 4.32Å; W571-L591 HydrophobicContact CH2-CG 4.48Å; W571-L591 HydrophobicContact CZ2-CD1 4.44Å; W571-L591 HydrophobicContact CZ2-CD2 4.33Å; W571-L591 HydrophobicContact CZ2-CG 3.93Å; W571-L591 HydrophobicContact CZ3-CD2 4.39Å
572C92.2Very high93.1Very high70 Ų7066 Ų6647%0.47331%0.313SS..Hα-helixtrans-59.5-45.3173.8-630000111.4I568 T569 F575 S576I568-C572 PolarHBondContact O-N 3.45Å; I568-C572 PolarHBondContact O-SG 2.92Å; T569-C572 WeakPolarHBondContact O-CB 3.45Å; T569-C572 PolarHBondContact O-N 2.82Å; C572-F575 PolarHBondContact O-N 2.85Å; C572-S576 WeakPolarHBondContact O-CB 3.23Å; C572-S576 PolarHBondContact O-N 2.77Å
573H93.1Very high92.7Very high70 Ų7073.8 Ų73.832%0.32435%0.349SS..Hα-helixtrans-60.9-45.2175.7-73.6-27.8000112.2T569 A570 W571 S576 W577 T602T569-H573 PolarHBondContact O-N 2.79Å; A570-H573 PolarHBondContact O-N 3.16Å; W571-H573 VanDerWaalsContact C-N 3.35Å; W571-H573 PolarHBondContact O-N 3.08Å; H573-S576 PolarHBondContact O-N 2.84Å; H573-W577 WeakPolarHBondContact O-CB 3.41Å; H573-W577 PolarHBondContact O-N 2.87Å; H573-T602 PolarHBondContact NE2-OG1 2.89Å
574R94.2Very high92.3Very high14 Ų1480.6 Ų80.65%0.05338%0.381CS..Hα-helixtrans-62.8-42.5176.9-178.1-178.8-73.3-169.8-13.2111.8A570 W571 W577 N578 K587 G589 V590 E595A570-R574 WeakPolarHBondContact O-CB 3.37Å; A570-R574 PolarHBondContact O-N 3.33Å; W571-R574 VanDerWaalsContact CZ3-NH1 3.33Å; W571-R574 PolarHBondContact O-N 2.9Å; R574-W577 PolarHBondContact O-N 3.2Å; R574-N578 WeakPolarHBondContact O-CB 3.47Å; R574-N578 VanDerWaalsContact O-CG 3.29Å; R574-N578 PolarHBondContact O-N 2.84Å; R574-K587 HydrophobicContact CG-CB 4.22Å; R574-G589 PolarHBondContact NH1-O 3.41Å; R574-V590 PolarHBondContact NH2-O 2.94Å; R574-E595 IonicContact CZ-OE1 3.33Å; R574-E595 VanDerWaalsContact CZ-OE1 3.29Å; R574-E595 IonicContact CZ-OE2 3.04Å; R574-E595 IonicContact NE-OE1 3.47Å; R574-E595 PolarHBondContact NE-OE1 2.91Å; R574-E595 IonicContact NE-OE2 3.93Å; R574-E595 IonicContact NH2-OE1 2.82Å; R574-E595 PolarHBondContact NH2-OE1 2.86Å; R574-E595 VanDerWaalsContact NH2-OE1 3.09Å; R574-E595 IonicContact NH2-OE2 2.93Å; R574-E595 PolarHBondContact NH2-OE2 3.31Å
575F93.3Very high92.2Very high154 Ų15478.3 Ų78.368%0.67538%0.38SS*.Hα-helixtrans-60.3-50.3176.1175.7-97.9000111W571 C572 W577 N578 A579W571-F575 WeakPolarHBondContact O-CB 3.43Å; W571-F575 PolarHBondContact O-N 2.84Å; C572-F575 PolarHBondContact O-N 2.85Å; F575-W577 VanDerWaalsContact C-N 3.31Å; F575-W577 PolarHBondContact O-N 3.13Å; F575-N578 PolarHBondContact O-N 3.16Å; F575-A579 WeakPolarHBondContact O-CB 3.45Å; F575-A579 PolarHBondContact O-N 3.46Å
576S91.5Very high92.1Very high38 Ų3884.5 Ų84.527%0.26640%0.404SS..Hα-helixtrans-58.9-41177.3-175.20000112.2C572 H573 R580C572-S576 WeakPolarHBondContact O-CB 3.23Å; C572-S576 PolarHBondContact O-N 2.77Å; H573-S576 PolarHBondContact O-N 2.84Å; S576-R580 WeakPolarHBondContact O-CG 3.4Å; S576-R580 PolarHBondContact O-N 2.87Å
577W92.9Very high91.9Very high117 Ų11788.7 Ų88.744%0.44342%0.422SS..Hα-helixtrans-62.6-52.5174178.2-88.5000112.1H573 R574 F575 A579 R580 K581H573-W577 WeakPolarHBondContact O-CB 3.41Å; H573-W577 PolarHBondContact O-N 2.87Å; R574-W577 PolarHBondContact O-N 3.2Å; F575-W577 VanDerWaalsContact C-N 3.31Å; F575-W577 PolarHBondContact O-N 3.13Å; W577-A579 VanDerWaalsContact C-N 3.29Å; W577-A579 PolarHBondContact O-N 2.93Å; W577-R580 PolarHBondContact O-N 3.04Å; W577-R580 VanDerWaalsContact O-N 3.1Å; W577-K581 HydrophobicContact CD2-CG 4.39Å; W577-K581 HydrophobicContact CZ2-CD 4.45Å; W577-K581 HydrophobicContact CZ2-CG 4.34Å; W577-K581 WeakPolarHBondContact O-CG 3.42Å; W577-K581 PolarHBondContact O-N 3.38Å
578N95.1Very high91.6Very high30 Ų3088.4 Ų88.416%0.1644%0.437CS..Hα-helixtrans-65-32.4-177.2-74.8-3.8000112.7R574 F575 R580 K581 R586 K587R574-N578 WeakPolarHBondContact O-CB 3.47Å; R574-N578 VanDerWaalsContact O-CG 3.29Å; R574-N578 PolarHBondContact O-N 2.84Å; F575-N578 PolarHBondContact O-N 3.16Å; N578-R580 PolarHBondContact O-N 3.49Å; N578-K581 PolarHBondContact O-N 3.12Å; N578-K581 VanDerWaalsContact O-O 3.12Å; N578-R586 HydrophobicContact CB-CB 4.36Å; N578-R586 HydrophobicContact CB-CG 4.01Å; N578-R586 PolarHBondContact O-NE 3.02Å; N578-R586 WeakPolarHBondContact OD1-CA 3.34Å; N578-K587 PolarHBondContact ND2-O 3.3Å; N578-K587 PolarHBondContact OD1-N 3.07Å
579A91.6Very high91.5Very high69 Ų6988.4 Ų88.457%0.5745%0.451SS*.Hα-helixtrans-66.4-26.3175.700000112.6F575 W577F575-A579 WeakPolarHBondContact O-CB 3.45Å; F575-A579 PolarHBondContact O-N 3.46Å; W577-A579 VanDerWaalsContact C-N 3.29Å; W577-A579 PolarHBondContact O-N 2.93Å
580R92.9Very high91.5Very high191 Ų19193.7 Ų93.772%0.72148%0.483SS*.THydrogen-bonded Turntrans-94.1-4.1178.9-63.4174.1-166.6-144.81.6113.6S576 W577 N578S576-R580 WeakPolarHBondContact O-CG 3.4Å; S576-R580 PolarHBondContact O-N 2.87Å; W577-R580 PolarHBondContact O-N 3.04Å; W577-R580 VanDerWaalsContact O-N 3.1Å; N578-R580 PolarHBondContact O-N 3.49Å
581K90Very high91.5Very high78 Ų7894.5 Ų94.534%0.33949%0.487SS..SBendtrans-118.5147.8-172.8-68.4-64-176.7178.50111.9W577 N578 D585 R586W577-K581 HydrophobicContact CD2-CG 4.39Å; W577-K581 HydrophobicContact CZ2-CD 4.45Å; W577-K581 HydrophobicContact CZ2-CG 4.34Å; W577-K581 WeakPolarHBondContact O-CG 3.42Å; W577-K581 PolarHBondContact O-N 3.38Å; N578-K581 PolarHBondContact O-N 3.12Å; N578-K581 VanDerWaalsContact O-O 3.12Å; K581-D585 HydrophobicContact CB-CB 3.95Å; K581-D585 HydrophobicContact CD-CB 4.44Å; K581-D585 HydrophobicContact CG-CB 4.41Å; K581-R586 PolarHBondContact O-NE 3.36Å
582G87.4Confident91.3Very high47 Ų4791.3 Ų91.349%0.48548%0.483SS..  trans-61.8158.9173.100000111.3E584 D585 R586G582-E584 PolarHBondContact O-N 2.97Å; G582-E584 VanDerWaalsContact O-N 3.1Å; G582-D585 PolarHBondContact O-N 2.92Å; G582-R586 WeakPolarHBondContact O-CG 3.49Å
583Q83.6Confident91.4Very high166 Ų16692.6 Ų92.678%0.77649%0.488SS*.G310 helixtrans-53.6-35.7-171.7-176.5172.9-11.500113.6R586Q583-R586 PolarHBondContact O-N 3.11Å
584E86.4Confident91.4Very high196 Ų19693.7 Ų93.792%0.91649%0.494SS*.G310 helixtrans-68.2-33.1-178.8-57.9-176.8177.700113.4G582 R586G582-E584 PolarHBondContact O-N 2.97Å; G582-E584 VanDerWaalsContact O-N 3.1Å; E584-R586 VanDerWaalsContact C-N 3.35Å
585D90.3Very high91.6Very high107 Ų10793.9 Ų93.957%0.57250%0.495SS*.G310 helixtrans-89-1.1-177.6-75.7-32.8000113.4K581 G582K581-D585 HydrophobicContact CB-CB 3.95Å; K581-D585 HydrophobicContact CD-CB 4.44Å; K581-D585 HydrophobicContact CG-CB 4.41Å; G582-D585 PolarHBondContact O-N 2.92Å
586R91.9Very high91.7Very high129 Ų12988.6 Ų88.649%0.48747%0.474SS..  trans-73.7131.4-176-69.5-179.9-176.4168.60.9110.6N578 K581 G582 Q583 E584N578-R586 HydrophobicContact CB-CB 4.36Å; N578-R586 HydrophobicContact CB-CG 4.01Å; N578-R586 PolarHBondContact O-NE 3.02Å; N578-R586 WeakPolarHBondContact OD1-CA 3.34Å; K581-R586 PolarHBondContact O-NE 3.36Å; G582-R586 WeakPolarHBondContact O-CG 3.49Å; Q583-R586 PolarHBondContact O-N 3.11Å; E584-R586 VanDerWaalsContact C-N 3.35Å
587K90.3Very high91.9Very high96 Ų9693.1 Ų93.142%0.41749%0.485SS..  trans-80.4130.7175.6-62.4178.1-178.4176.10110.1R574 N578R574-K587 HydrophobicContact CG-CB 4.22Å; N578-K587 PolarHBondContact ND2-O 3.3Å; N578-K587 PolarHBondContact OD1-N 3.07Å
588S90.3Very high92Very high110 Ų11089 Ų8977%0.76948%0.476SS*.  trans-127174.5176.366.70000111.4
589G91.8Very high92Very high56 Ų5687.6 Ų87.658%0.57747%0.468SS*.SBendtrans80.4-154.7178.500000114.9W571 R574W571-G589 WeakPolarHBondContact CH2-O 3.41Å; R574-G589 PolarHBondContact NH1-O 3.41Å
590V92.5Very high92.2Very high113 Ų11385 Ų8569%0.68545%0.445SS*.SBendtrans-72154.9-177.7-63.50000112.5R574 S592R574-V590 PolarHBondContact NH2-O 2.94Å; V590-S592 PolarHBondContact O-N 3.36Å
591L93.7Very high92.4Very high16 Ų1678.4 Ų78.48%0.08442%0.42CS..PPolyproline II helixtrans-65.3130.3174.9-69.5172.8000111R567 A570 W571 E595 L596R567-L591 HydrophobicContact CB-CD1 4.16Å; R567-L591 HydrophobicContact CG-CD1 4.28Å; A570-L591 HydrophobicContact CB-CD1 3.83Å; A570-L591 HydrophobicContact CB-CD2 3.95Å; A570-L591 HydrophobicContact CB-CG 4.48Å; W571-L591 HydrophobicContact CD2-CD1 4.23Å; W571-L591 HydrophobicContact CD2-CD2 3.86Å; W571-L591 HydrophobicContact CD2-CG 4.12Å; W571-L591 HydrophobicContact CE3-CD2 4.06Å; W571-L591 HydrophobicContact CG-CD1 4.2Å; W571-L591 HydrophobicContact CG-CD2 4.32Å; W571-L591 HydrophobicContact CH2-CG 4.48Å; W571-L591 HydrophobicContact CZ2-CD1 4.44Å; W571-L591 HydrophobicContact CZ2-CD2 4.33Å; W571-L591 HydrophobicContact CZ2-CG 3.93Å; W571-L591 HydrophobicContact CZ3-CD2 4.39Å; L591-E595 HydrophobicContact CD2-CB 4.49Å; L591-L596 HydrophobicContact CB-CD2 4.32Å; L591-L596 HydrophobicContact CB-CG 4.46Å; L591-L596 HydrophobicContact CD1-CD2 3.98Å
592S93.3Very high92.5Very high51 Ų5175.9 Ų75.936%0.35741%0.411SS..PPolyproline II helixtrans-76.1160.1174.667.40000111.7V590 E594 E595 L596V590-S592 PolarHBondContact O-N 3.36Å; S592-E594 PolarHBondContact O-N 3.33Å; S592-E595 VanDerWaalsContact CB-OE2 3.31Å; S592-E595 WeakPolarHBondContact CB-OE2 3.46Å; S592-E595 PolarHBondContact N-OE2 3.34Å; S592-E595 PolarHBondContact O-N 2.88Å; S592-E595 VanDerWaalsContact OG-CG 3.3Å; S592-E595 WeakPolarHBondContact OG-CG 3.47Å; S592-E595 PolarHBondContact OG-N 2.82Å; S592-E595 PolarHBondContact OG-OE2 3.37Å; S592-L596 WeakPolarHBondContact O-CG 3.44Å; S592-L596 PolarHBondContact O-N 3.05Å
593V93.5Very high92.9Very high96 Ų9674 Ų7458%0.58239%0.389SS*.Hα-helixtrans-58.9-37174.9177.50000111.1L596 R597V593-L596 PolarHBondContact O-N 3.48Å; V593-R597 HydrophobicContact CG1-CG 4.39Å; V593-R597 WeakPolarHBondContact O-CG 3.2Å; V593-R597 PolarHBondContact O-N 3.4Å
594E93.9Very high93.5Very high93 Ų9366.2 Ų66.244%0.43535%0.353SS..Hα-helixtrans-69.8-35.7-179-166.952.3-140.800112.3S592 L596 R597 A598 R601S592-E594 PolarHBondContact O-N 3.33Å; E594-L596 VanDerWaalsContact C-N 3.35Å; E594-R597 PolarHBondContact O-N 2.97Å; E594-R597 IonicContact OE2-NH1 2.94Å; E594-A598 WeakPolarHBondContact O-CB 3.47Å; E594-A598 PolarHBondContact O-N 3.38Å; E594-R601 IonicContact OE1-CZ 3.81Å; E594-R601 IonicContact OE1-NH1 2.66Å; E594-R601 PolarHBondContact OE1-NH1 2.84Å; E594-R601 IonicContact OE1-NH2 2.73Å; E594-R601 PolarHBondContact OE1-NH2 3.49Å
595E96.9Very high93.9Very high19 Ų1960.8 Ų60.89%0.08932%0.324CS..Hα-helixtrans-65.8-38.5173.1-72.8163.7123.800112.1A570 R574 L591 S592 A598 A599A570-E595 HydrophobicContact CB-CB 4.35Å; R574-E595 IonicContact CZ-OE1 3.33Å; R574-E595 VanDerWaalsContact CZ-OE1 3.29Å; R574-E595 IonicContact CZ-OE2 3.04Å; R574-E595 IonicContact NE-OE1 3.47Å; R574-E595 PolarHBondContact NE-OE1 2.91Å; R574-E595 IonicContact NE-OE2 3.93Å; R574-E595 IonicContact NH2-OE1 2.82Å; R574-E595 PolarHBondContact NH2-OE1 2.86Å; R574-E595 VanDerWaalsContact NH2-OE1 3.09Å; R574-E595 IonicContact NH2-OE2 2.93Å; R574-E595 PolarHBondContact NH2-OE2 3.31Å; L591-E595 HydrophobicContact CD2-CB 4.49Å; S592-E595 VanDerWaalsContact CB-OE2 3.31Å; S592-E595 WeakPolarHBondContact CB-OE2 3.46Å; S592-E595 PolarHBondContact N-OE2 3.34Å; S592-E595 PolarHBondContact O-N 2.88Å; S592-E595 VanDerWaalsContact OG-CG 3.3Å; S592-E595 WeakPolarHBondContact OG-CG 3.47Å; S592-E595 PolarHBondContact OG-N 2.82Å; S592-E595 PolarHBondContact OG-OE2 3.37Å; E595-A598 PolarHBondContact O-N 3.19Å; E595-A599 WeakPolarHBondContact O-CB 3.23Å; E595-A599 PolarHBondContact O-N 3.18Å
596L96.8Very high94Very high42 Ų4257.8 Ų57.822%0.2231%0.306CS..Hα-helixtrans-67.4-40175-63.6175000111.8I566 R567 A570 L591 S592 V593 E594 A599 E600I566-L596 HydrophobicContact CG2-CB 4.24Å; I566-L596 HydrophobicContact CG2-CD2 4.07Å; I566-L596 VanDerWaalsContact CG2-O 3.32Å; I566-L596 WeakPolarHBondContact CG2-O 3.47Å; R567-L596 HydrophobicContact CG-CD2 3.84Å; A570-L596 HydrophobicContact CB-CD2 4.1Å; L591-L596 HydrophobicContact CB-CD2 4.32Å; L591-L596 HydrophobicContact CB-CG 4.46Å; L591-L596 HydrophobicContact CD1-CD2 3.98Å; S592-L596 WeakPolarHBondContact O-CG 3.44Å; S592-L596 PolarHBondContact O-N 3.05Å; V593-L596 PolarHBondContact O-N 3.48Å; E594-L596 VanDerWaalsContact C-N 3.35Å; L596-A599 PolarHBondContact O-N 3.41Å; L596-E600 PolarHBondContact O-N 3.05Å
597R95.3Very high94.1Very high133 Ų13352.7 Ų52.750%0.50229%0.289SS..Hα-helixtrans-64.4-44.5174.3-74.9176.5178.4168.8-2111.6V593 E594 A599 E600 R601V593-R597 HydrophobicContact CG1-CG 4.39Å; V593-R597 WeakPolarHBondContact O-CG 3.2Å; V593-R597 PolarHBondContact O-N 3.4Å; E594-R597 PolarHBondContact O-N 2.97Å; E594-R597 IonicContact OE2-NH1 2.94Å; R597-A599 VanDerWaalsContact C-N 3.31Å; R597-A599 PolarHBondContact O-N 2.94Å; R597-E600 PolarHBondContact O-N 3.4Å; R597-R601 WeakPolarHBondContact O-CG 3.45Å; R597-R601 PolarHBondContact O-N 2.9Å
598A94.9Very high94.4Very high31 Ų3148.1 Ų48.126%0.25627%0.269SS..Hα-helixtrans-59.5-43176.100000111.7E594 E595 R601 T602E594-A598 WeakPolarHBondContact O-CB 3.47Å; E594-A598 PolarHBondContact O-N 3.38Å; E595-A598 PolarHBondContact O-N 3.19Å; A598-R601 PolarHBondContact O-N 2.7Å; A598-T602 PolarHBondContact O-N 2.81Å; A598-T602 PolarHBondContact O-OG1 2.93Å
599A95.3Very high94.5Very high0 Ų046.5 Ų46.50%025%0.249CC..Hα-helixtrans-63.7-42.217400000113I566 T569 A570 E595 L596 R597 T602 W603I566-A599 HydrophobicContact CG2-CB 3.92Å; I566-A599 WeakPolarHBondContact O-CB 3.34Å; T569-A599 HydrophobicContact CG2-CB 3.9Å; A570-A599 HydrophobicContact CB-CB 3.87Å; E595-A599 WeakPolarHBondContact O-CB 3.23Å; E595-A599 PolarHBondContact O-N 3.18Å; L596-A599 PolarHBondContact O-N 3.41Å; R597-A599 VanDerWaalsContact C-N 3.31Å; R597-A599 PolarHBondContact O-N 2.94Å; A599-T602 PolarHBondContact O-N 2.79Å; A599-W603 PolarHBondContact O-N 3.41Å
600E96.1Very high94.5Very high16 Ų1648.7 Ų48.78%0.07526%0.256CS..Hα-helixtrans-59.8-45.1174-170.5174.7-121.500110.9I566 L596 R597 T602 W603 L604 R678 R698I566-E600 HydrophobicContact CD1-CB 4.13Å; I566-E600 HydrophobicContact CD1-CG 4.49Å; L596-E600 PolarHBondContact O-N 3.05Å; R597-E600 PolarHBondContact O-N 3.4Å; E600-T602 PolarHBondContact O-N 2.82Å; E600-W603 PolarHBondContact O-N 2.8Å; E600-L604 HydrophobicContact CG-CD1 4.01Å; E600-L604 HydrophobicContact CG-CG 4.49Å; E600-L604 VanDerWaalsContact O-CG 3.3Å; E600-L604 WeakPolarHBondContact O-CG 3.4Å; E600-L604 PolarHBondContact O-N 3.17Å; E600-R678 IonicContact OE1-NH1 3.17Å; E600-R678 PolarHBondContact OE1-NH1 3.29Å; E600-R698 IonicContact OE1-NH1 3.5Å; E600-R698 IonicContact OE2-CZ 3.95Å; E600-R698 IonicContact OE2-NH1 3.58Å; E600-R698 PolarHBondContact OE2-NH1 3.1Å; E600-R698 VanDerWaalsContact OE2-NH1 3.14Å; E600-R698 IonicContact OE2-NH2 2.86Å; E600-R698 PolarHBondContact OE2-NH2 3.14Å
601R95.2Very high94.6Very high51 Ų5145.1 Ų45.119%0.19224%0.239CC..Hα-helixtrans-62.8-37.5177.1-71.7-175.4-61.6-116.1-5.8113.7E594 R597 A598 W603 L604 R605 E641E594-R601 IonicContact OE1-CZ 3.81Å; E594-R601 IonicContact OE1-NH1 2.66Å; E594-R601 PolarHBondContact OE1-NH1 2.84Å; E594-R601 IonicContact OE1-NH2 2.73Å; E594-R601 PolarHBondContact OE1-NH2 3.49Å; R597-R601 WeakPolarHBondContact O-CG 3.45Å; R597-R601 PolarHBondContact O-N 2.9Å; A598-R601 PolarHBondContact O-N 2.7Å; R601-W603 VanDerWaalsContact C-N 3.32Å; R601-W603 PolarHBondContact O-N 2.85Å; R601-L604 PolarHBondContact O-N 3.19Å; R601-R605 WeakPolarHBondContact O-CB 3.45Å; R601-R605 WeakPolarHBondContact O-CG 2.97Å; R601-R605 PolarHBondContact O-N 3.49Å; R601-E641 WeakPolarHBondContact CD-OE1 3.26Å; R601-E641 WeakPolarHBondContact CD-OE2 3.3Å; R601-E641 IonicContact CZ-OE1 3.94Å; R601-E641 IonicContact NE-OE1 3.49Å; R601-E641 IonicContact NH1-OE1 2.74Å; R601-E641 PolarHBondContact NH1-OE1 2.96Å
602T94.1Very high94.6Very high25 Ų2544.4 Ų44.415%0.15324%0.235CC..Hα-helixtrans-57.3-47.3174.5-64.60000111L551 H573 A598 A599 E600 K606L551-T602 HydrophobicContact CD1-CG2 4.23Å; L551-T602 HydrophobicContact CD2-CG2 3.89Å; H573-T602 PolarHBondContact NE2-OG1 2.89Å; A598-T602 PolarHBondContact O-N 2.81Å; A598-T602 PolarHBondContact O-OG1 2.93Å; A599-T602 PolarHBondContact O-N 2.79Å; E600-T602 PolarHBondContact O-N 2.82Å; T602-K606 PolarHBondContact O-N 3.16Å
603W95.1Very high94.6Very high9 Ų944.7 Ų44.73%0.03424%0.236CC..Hα-helixtrans-68.4-40.8178.7-79.6104.5000113.2L551 L554 P556 L565 T569 A599 E600 R601 R605 K606 V607 F671L551-W603 HydrophobicContact CD2-CD2 4.1Å; L551-W603 HydrophobicContact CD2-CE3 4.23Å; L551-W603 HydrophobicContact CD2-CH2 3.66Å; L551-W603 HydrophobicContact CD2-CZ2 3.54Å; L551-W603 HydrophobicContact CD2-CZ3 4.02Å; L551-W603 HydrophobicContact CG-CH2 4.23Å; L551-W603 HydrophobicContact CG-CZ2 4.08Å; L554-W603 HydrophobicContact CD2-CZ2 4.18Å; L554-W603 HydrophobicContact CG-CZ2 4.43Å; L554-W603 WeakPolarHBondContact O-CH2 2.99Å; L554-W603 WeakPolarHBondContact O-CZ2 3.38Å; P556-W603 HydrophobicContact CG-CE3 3.88Å; P556-W603 HydrophobicContact CG-CH2 3.57Å; P556-W603 HydrophobicContact CG-CZ2 4.33Å; P556-W603 HydrophobicContact CG-CZ3 3.28Å; L565-W603 HydrophobicContact CD1-CH2 4.43Å; L565-W603 HydrophobicContact CD1-CZ2 3.61Å; L565-W603 HydrophobicContact CD2-CD2 4.07Å; L565-W603 HydrophobicContact CD2-CG 4.38Å; L565-W603 HydrophobicContact CD2-CZ2 4.35Å; L565-W603 HydrophobicContact CG-CZ2 4.24Å; T569-W603 PolarHBondContact OG1-NE1 3.06Å; A599-W603 PolarHBondContact O-N 3.41Å; E600-W603 PolarHBondContact O-N 2.8Å; R601-W603 VanDerWaalsContact C-N 3.32Å; R601-W603 PolarHBondContact O-N 2.85Å; W603-R605 PolarHBondContact O-N 2.74Å; W603-K606 HydrophobicContact CZ3-CD 4.43Å; W603-K606 PolarHBondContact O-N 2.79Å; W603-V607 WeakPolarHBondContact O-CB 3.43Å; W603-V607 VanDerWaalsContact O-CG2 3.28Å; W603-V607 WeakPolarHBondContact O-CG2 3.29Å; W603-V607 PolarHBondContact O-N 3.24Å; W603-F671 HydrophobicContact CB-CD2 3.71Å; W603-F671 HydrophobicContact CB-CE1 4.42Å; W603-F671 HydrophobicContact CB-CE2 3.21Å; W603-F671 HydrophobicContact CB-CG 4.5Å; W603-F671 HydrophobicContact CB-CZ 3.61Å; W603-F671 HydrophobicContact CD2-CD2 4.16Å; W603-F671 HydrophobicContact CD2-CE2 4.36Å; W603-F671 HydrophobicContact CE3-CD2 4.22Å; W603-F671 AromaticContact CG-CD2 3.94Å; W603-F671 HydrophobicContact CG-CD2 3.94Å; W603-F671 AromaticContact CG-CE2 3.67Å; W603-F671 HydrophobicContact CG-CE2 3.67Å
604L96.4Very high94.6Very high2 Ų248.2 Ų48.21%0.0124%0.244CC..Hα-helixtrans-60.2-45.4176.9-69.4166.9000111.5E600 R601 V607 Q608 L643 I663 L665 F671 F699E600-L604 HydrophobicContact CG-CD1 4.01Å; E600-L604 HydrophobicContact CG-CG 4.49Å; E600-L604 VanDerWaalsContact O-CG 3.3Å; E600-L604 WeakPolarHBondContact O-CG 3.4Å; E600-L604 PolarHBondContact O-N 3.17Å; R601-L604 PolarHBondContact O-N 3.19Å; L604-V607 PolarHBondContact O-N 3.39Å; L604-Q608 WeakPolarHBondContact O-CG 3.3Å; L604-Q608 PolarHBondContact O-N 2.84Å; L604-L643 HydrophobicContact CB-CD2 3.64Å; L604-I663 HydrophobicContact CD1-CD1 4.14Å; L604-I663 HydrophobicContact CD2-CG2 4.49Å; L604-L665 HydrophobicContact CD2-CD1 4.02Å; L604-L665 HydrophobicContact CD2-CD2 3.8Å; L604-L665 HydrophobicContact CD2-CG 4.44Å; L604-F671 HydrophobicContact CD2-CE1 3.81Å; L604-F671 HydrophobicContact CD2-CZ 4.27Å; L604-F671 HydrophobicContact CG-CE1 4.37Å; L604-F671 HydrophobicContact CG-CZ 4.4Å; L604-F699 HydrophobicContact CD1-CE1 4.22Å; L604-F699 HydrophobicContact CD2-CD1 4.43Å; L604-F699 HydrophobicContact CD2-CE1 3.81Å
605R94.7Very high94.7Very high81 Ų8145.3 Ų45.331%0.30623%0.23SC..Hα-helixtrans-61.3-48175-76.6-175.3-71.6160.4-3.8111.9R601 W603 V607 Q608 Q609 E641 L643R601-R605 WeakPolarHBondContact O-CB 3.45Å; R601-R605 WeakPolarHBondContact O-CG 2.97Å; R601-R605 PolarHBondContact O-N 3.49Å; W603-R605 PolarHBondContact O-N 2.74Å; R605-V607 VanDerWaalsContact C-N 3.33Å; R605-V607 PolarHBondContact O-N 2.79Å; R605-Q608 PolarHBondContact O-N 2.88Å; R605-Q609 WeakPolarHBondContact O-CB 3.47Å; R605-Q609 WeakPolarHBondContact O-CG 3.36Å; R605-Q609 PolarHBondContact O-N 3.29Å; R605-E641 WeakPolarHBondContact CD-O 3.34Å; R605-L643 HydrophobicContact CB-CD2 4.41Å; R605-L643 HydrophobicContact CG-CD2 3.58Å; R605-L643 HydrophobicContact CG-CG 4.2Å
606K91.5Very high94.5Very high44 Ų4446.1 Ų46.119%0.19123%0.233CC..Hα-helixtrans-59.7-42.9178.7-175.9161.1180143.60111.8D549 L551 D552 T602 W603 S610D549-K606 IonicContact OD2-NZ 2.95Å; D549-K606 PolarHBondContact OD2-NZ 3.41Å; L551-K606 HydrophobicContact CB-CD 3.99Å; L551-K606 HydrophobicContact CD2-CD 3.84Å; D552-K606 IonicContact OD1-NZ 3.17Å; D552-K606 PolarHBondContact OD1-NZ 3.45Å; T602-K606 PolarHBondContact O-N 3.16Å; W603-K606 HydrophobicContact CZ3-CD 4.43Å; W603-K606 PolarHBondContact O-N 2.79Å; K606-S610 WeakPolarHBondContact O-CB 3.32Å; K606-S610 PolarHBondContact O-N 2.97Å
607V94.6Very high94.4Very high22 Ų2249 Ų4913%0.13325%0.245CC..Hα-helixtrans-63-42.4176.7168.90000111.5W603 L604 R605 A611 L665 P666 F671 V672W603-V607 WeakPolarHBondContact O-CB 3.43Å; W603-V607 VanDerWaalsContact O-CG2 3.28Å; W603-V607 WeakPolarHBondContact O-CG2 3.29Å; W603-V607 PolarHBondContact O-N 3.24Å; L604-V607 PolarHBondContact O-N 3.39Å; R605-V607 VanDerWaalsContact C-N 3.33Å; R605-V607 PolarHBondContact O-N 2.79Å; V607-A611 VanDerWaalsContact O-CB 3.29Å; V607-A611 WeakPolarHBondContact O-CB 3.32Å; V607-A611 PolarHBondContact O-N 3.42Å; V607-L665 HydrophobicContact CG1-CD2 4.11Å; V607-P666 VanDerWaalsContact CG1-CD 3.48Å; V607-P666 HydrophobicContact CG1-CG 3.57Å; V607-F671 HydrophobicContact CG2-CB 3.88Å; V607-F671 HydrophobicContact CG2-CD1 3.8Å; V607-F671 HydrophobicContact CG2-CG 3.95Å; V607-V672 HydrophobicContact CG1-CG2 4.22Å
608Q95.5Very high94.3Very high0 Ų044.4 Ų44.40%023%0.233CC..Hα-helixtrans-69.4-45.2177.5-73.8-175.3-19.800112.7L604 R605 S610 A611 F612 L643 I644 V664 L665L604-Q608 WeakPolarHBondContact O-CG 3.3Å; L604-Q608 PolarHBondContact O-N 2.84Å; R605-Q608 PolarHBondContact O-N 2.88Å; Q608-S610 VanDerWaalsContact C-N 3.29Å; Q608-S610 PolarHBondContact O-N 2.92Å; Q608-A611 PolarHBondContact O-N 2.83Å; Q608-F612 HydrophobicContact CB-CD2 4.34Å; Q608-F612 HydrophobicContact CG-CD2 4.29Å; Q608-F612 CarbonylContact O-C 3.55Å; Q608-F612 VanDerWaalsContact O-CA 3.31Å; Q608-F612 WeakPolarHBondContact O-CA 3.41Å; Q608-F612 WeakPolarHBondContact O-CB 3.32Å; Q608-F612 PolarHBondContact O-N 3.34Å; Q608-L643 VanDerWaalsContact OE1-CA 3.31Å; Q608-I644 PolarHBondContact NE2-O 3.26Å; Q608-V664 PolarHBondContact NE2-O 2.96Å; Q608-L665 HydrophobicContact CG-CD2 4.46Å
609Q92.8Very high94.2Very high76 Ų7643.2 Ų43.236%0.35522%0.223SC..Hα-helixtrans-62.9-36.9177.6-73.3172.6-15.300111.6R605 S613 W616R605-Q609 WeakPolarHBondContact O-CB 3.47Å; R605-Q609 WeakPolarHBondContact O-CG 3.36Å; R605-Q609 PolarHBondContact O-N 3.29Å; Q609-S613 VanDerWaalsContact O-CA 3.28Å; Q609-S613 WeakPolarHBondContact O-CA 3.44Å; Q609-S613 WeakPolarHBondContact O-CB 3.47Å; Q609-S613 PolarHBondContact O-N 3.23Å; Q609-W616 HydrophobicContact CG-CD2 4.02Å; Q609-W616 HydrophobicContact CG-CG 4.17Å; Q609-W616 HydrophobicContact CG-CZ2 4.36Å
610S92.1Very high94.1Very high103 Ų10347.7 Ų47.772%0.7224%0.242SC*.Hα-helixtrans-70-44175.7177.30000112.6K606 Q608K606-S610 WeakPolarHBondContact O-CB 3.32Å; K606-S610 PolarHBondContact O-N 2.97Å; Q608-S610 VanDerWaalsContact C-N 3.29Å; Q608-S610 PolarHBondContact O-N 2.92Å
611A94Very high93.8Very high38 Ų3854.8 Ų54.831%0.31427%0.273SS..Hα-helixtrans-89.2-24.6-173.400000114.8V607 Q608 P666V607-A611 VanDerWaalsContact O-CB 3.29Å; V607-A611 WeakPolarHBondContact O-CB 3.32Å; V607-A611 PolarHBondContact O-N 3.42Å; Q608-A611 PolarHBondContact O-N 2.83Å; A611-P666 HydrophobicContact CB-CB 3.75Å; A611-P666 HydrophobicContact CB-CG 3.67Å
612F94.6Very high93.4Very high1 Ų156.4 Ų56.40%0.00429%0.288CS..SBendtrans-134.536.5-171.3-48.6-53.3000111.2Q608 K614 E615 W616 L631 I644 V664 P666 L702Q608-F612 HydrophobicContact CB-CD2 4.34Å; Q608-F612 HydrophobicContact CG-CD2 4.29Å; Q608-F612 CarbonylContact O-C 3.55Å; Q608-F612 VanDerWaalsContact O-CA 3.31Å; Q608-F612 WeakPolarHBondContact O-CA 3.41Å; Q608-F612 WeakPolarHBondContact O-CB 3.32Å; Q608-F612 PolarHBondContact O-N 3.34Å; F612-K614 VanDerWaalsContact C-N 3.35Å; F612-K614 PolarHBondContact O-N 3.22Å; F612-E615 WeakPolarHBondContact CA-OE2 3.42Å; F612-E615 HydrophobicContact CB-CB 4.22Å; F612-E615 PolarHBondContact O-N 3.12Å; F612-W616 WeakPolarHBondContact O-CB 3.42Å; F612-W616 PolarHBondContact O-N 3.48Å; F612-L631 HydrophobicContact CB-CD1 4.31Å; F612-L631 HydrophobicContact CD1-CD1 4Å; F612-L631 HydrophobicContact CD1-CD2 4.5Å; F612-L631 HydrophobicContact CD1-CG 4.39Å; F612-L631 HydrophobicContact CD2-CD1 4.23Å; F612-L631 HydrophobicContact CE1-CD1 4.35Å; F612-L631 HydrophobicContact CE1-CD2 4.09Å; F612-L631 HydrophobicContact CE1-CG 4.47Å; F612-L631 HydrophobicContact CG-CD1 3.94Å; F612-L631 HydrophobicContact CZ-CD2 4.27Å; F612-I644 HydrophobicContact CB-CD1 3.93Å; F612-I644 HydrophobicContact CD2-CD1 4.32Å; F612-V664 HydrophobicContact CE2-CG1 3.98Å; F612-V664 HydrophobicContact CZ-CG1 4.21Å; F612-P666 HydrophobicContact CZ-CB 3.96Å; F612-L702 HydrophobicContact CE1-CD1 3.79Å; F612-L702 HydrophobicContact CZ-CD1 3.77Å; F612-L702 HydrophobicContact CZ-CG 4.4Å
613S93.4Very high93.1Very high56 Ų5663.9 Ų63.939%0.39232%0.319SS..Hα-helixtrans-51.9-49.7-175.951.90000113Q609 E615 W616 E617Q609-S613 VanDerWaalsContact O-CA 3.28Å; Q609-S613 WeakPolarHBondContact O-CA 3.44Å; Q609-S613 WeakPolarHBondContact O-CB 3.47Å; Q609-S613 PolarHBondContact O-N 3.23Å; S613-E615 PolarHBondContact O-N 2.73Å; S613-W616 PolarHBondContact O-N 3.13Å; S613-E617 PolarHBondContact O-N 2.96Å
614K93.5Very high92.8Very high170 Ų17066.6 Ų66.674%0.73934%0.339SS*.Hα-helixtrans-61.4-45.3179.5-66.4-177.6178.9-178.40111.7F612 S618F612-K614 VanDerWaalsContact C-N 3.35Å; F612-K614 PolarHBondContact O-N 3.22Å; K614-S618 VanDerWaalsContact O-CB 3.23Å; K614-S618 WeakPolarHBondContact O-CB 3.43Å; K614-S618 PolarHBondContact O-N 3.47Å
615E95Very high92.6Very high32 Ų3267.1 Ų67.115%0.1534%0.342CS..Hα-helixtrans-65.7-41.6176.7-67.585.1169.900111.8F612 S613 S618 L619 V625 S629 L631F612-E615 WeakPolarHBondContact CA-OE2 3.42Å; F612-E615 HydrophobicContact CB-CB 4.22Å; F612-E615 PolarHBondContact O-N 3.12Å; S613-E615 PolarHBondContact O-N 2.73Å; E615-S618 PolarHBondContact O-N 3.06Å; E615-L619 VanDerWaalsContact O-CB 3.31Å; E615-L619 WeakPolarHBondContact O-CB 3.17Å; E615-L619 WeakPolarHBondContact O-CG 3.29Å; E615-L619 PolarHBondContact O-N 3.04Å; E615-V625 HydrophobicContact CB-CG1 3.87Å; E615-V625 HydrophobicContact CG-CB 4.37Å; E615-V625 HydrophobicContact CG-CG1 3.94Å; E615-S629 WeakPolarHBondContact CG-OG 3.4Å; E615-S629 WeakPolarHBondContact OE1-CB 3.31Å; E615-S629 PolarHBondContact OE1-OG 2.92Å; E615-L631 HydrophobicContact CB-CD1 4.24Å; E615-L631 HydrophobicContact CG-CD1 4.13Å; E615-L631 HydrophobicContact CG-CG 4.42Å
616W94.4Very high92.5Very high37 Ų3766.3 Ų66.314%0.1435%0.349CS..Hα-helixtrans-62.2-46.4179.5-17192.4000111.4Q609 F612 S613 K620 I638 E642 I644Q609-W616 HydrophobicContact CG-CD2 4.02Å; Q609-W616 HydrophobicContact CG-CG 4.17Å; Q609-W616 HydrophobicContact CG-CZ2 4.36Å; F612-W616 WeakPolarHBondContact O-CB 3.42Å; F612-W616 PolarHBondContact O-N 3.48Å; S613-W616 PolarHBondContact O-N 3.13Å; W616-K620 HydrophobicContact CE3-CD 4.43Å; W616-K620 HydrophobicContact CH2-CD 3.67Å; W616-K620 HydrophobicContact CZ2-CD 3.99Å; W616-K620 HydrophobicContact CZ3-CD 3.89Å; W616-K620 PolarHBondContact O-N 3.42Å; W616-K620 VanDerWaalsContact O-N 3.09Å; W616-I638 HydrophobicContact CD2-CD1 4.44Å; W616-I638 HydrophobicContact CG-CD1 4.11Å; W616-I638 VanDerWaalsContact O-CD1 3.26Å; W616-I638 WeakPolarHBondContact O-CD1 3.35Å; W616-E642 HydrophobicContact CZ2-CB 4.45Å; W616-E642 PolarHBondContact NE1-O 3.07Å; W616-E642 VanDerWaalsContact NE1-O 3.12Å; W616-I644 HydrophobicContact CB-CD1 4.09Å
617E93.5Very high92.4Very high102 Ų10268.6 Ų68.648%0.47737%0.368SS..Hα-helixtrans-64.5-43.8174.8-73.4-178.1-160.200112.4S613 L619 K620 K621S613-E617 PolarHBondContact O-N 2.96Å; E617-L619 VanDerWaalsContact C-N 3.34Å; E617-L619 PolarHBondContact O-N 3.26Å; E617-K620 PolarHBondContact O-N 2.84Å; E617-K621 WeakPolarHBondContact O-CG 3.27Å; E617-K621 PolarHBondContact O-N 3.16Å
618S93.2Very high92.2Very high36 Ų3674.9 Ų74.925%0.25240%0.401SS..Hα-helixtrans-62.6-41.3179.4-168.20000111.7K614 E615 K621 T622 K623 S624K614-S618 VanDerWaalsContact O-CB 3.23Å; K614-S618 WeakPolarHBondContact O-CB 3.43Å; K614-S618 PolarHBondContact O-N 3.47Å; E615-S618 PolarHBondContact O-N 3.06Å; S618-K621 PolarHBondContact O-N 3.2Å; S618-T622 WeakPolarHBondContact O-CA 3.5Å; S618-T622 PolarHBondContact O-N 3.12Å; S618-T622 PolarHBondContact O-OG1 3.03Å; S618-T622 PolarHBondContact OG-OG1 3.28Å; S618-K623 PolarHBondContact O-N 3.36Å; S618-S624 CarbonylContact C-O 3.49Å; S618-S624 WeakPolarHBondContact CB-O 3.41Å; S618-S624 PolarHBondContact OG-O 3.36Å
619L94.2Very high92.1Very high7 Ų775.4 Ų75.44%0.03741%0.405CS..Hα-helixtrans-68.6-37.1177.6-73.5170.8000112.4E615 E617 K623 V625 P636 I638 I644E615-L619 VanDerWaalsContact O-CB 3.31Å; E615-L619 WeakPolarHBondContact O-CB 3.17Å; E615-L619 WeakPolarHBondContact O-CG 3.29Å; E615-L619 PolarHBondContact O-N 3.04Å; E617-L619 VanDerWaalsContact C-N 3.34Å; E617-L619 PolarHBondContact O-N 3.26Å; L619-K623 WeakPolarHBondContact O-CA 3.2Å; L619-K623 PolarHBondContact O-N 3.04Å; L619-V625 HydrophobicContact CD1-CG1 3.9Å; L619-V625 HydrophobicContact CD2-CG1 3.8Å; L619-V625 HydrophobicContact CG-CG1 3.62Å; L619-P636 HydrophobicContact CD1-CB 4.11Å; L619-P636 HydrophobicContact CD1-CG 4.39Å; L619-P636 WeakPolarHBondContact CD2-O 3.39Å; L619-I638 HydrophobicContact CB-CB 4.46Å; L619-I638 HydrophobicContact CB-CD1 3.52Å; L619-I638 HydrophobicContact CB-CG1 3.68Å; L619-I638 HydrophobicContact CD1-CD1 4.5Å; L619-I638 HydrophobicContact CD1-CG1 4.06Å; L619-I644 HydrophobicContact CD1-CD1 4.37Å; L619-I644 HydrophobicContact CD1-CG1 4.15Å; L619-I644 HydrophobicContact CD1-CG2 3.97Å
620K91.2Very high92Very high93 Ų9380 Ų8040%0.40442%0.419SS..Hα-helixtrans-64.6-38.9173.3-85.1-153.7175-177.80112.6W616 E617 I638 E642W616-K620 HydrophobicContact CE3-CD 4.43Å; W616-K620 HydrophobicContact CH2-CD 3.67Å; W616-K620 HydrophobicContact CZ2-CD 3.99Å; W616-K620 HydrophobicContact CZ3-CD 3.89Å; W616-K620 PolarHBondContact O-N 3.42Å; W616-K620 VanDerWaalsContact O-N 3.09Å; E617-K620 PolarHBondContact O-N 2.84Å; K620-I638 HydrophobicContact CG-CD1 3.77Å; K620-E642 IonicContact NZ-OE1 2.71Å; K620-E642 PolarHBondContact NZ-OE1 3.43Å; K620-E642 IonicContact NZ-OE2 3.26Å; K620-E642 PolarHBondContact NZ-OE2 3.41Å
621K90.8Very high92Very high166 Ų16675.1 Ų75.172%0.72239%0.385SS*.Hα-helixtrans-86.6-49.7-175.3-69.5177.5-178.5171.30113.5E617 S618E617-K621 WeakPolarHBondContact O-CG 3.27Å; E617-K621 PolarHBondContact O-N 3.16Å; S618-K621 PolarHBondContact O-N 3.2Å
622T87Confident91.9Very high84 Ų8477 Ų7752%0.51539%0.387SS..Hα-helixtrans-114.8-4-167.569.80000113.8S618 S624S618-T622 WeakPolarHBondContact O-CA 3.5Å; S618-T622 PolarHBondContact O-N 3.12Å; S618-T622 PolarHBondContact O-OG1 3.03Å; S618-T622 PolarHBondContact OG-OG1 3.28Å; T622-S624 PolarHBondContact O-N 3.47Å; T622-S624 PolarHBondContact OG1-N 3.45Å; T622-S624 PolarHBondContact OG1-O 2.88Å; T622-S624 PolarHBondContact OG1-OG 3.32Å
623K86.9Confident91.7Very high183 Ų18385.2 Ų85.280%0.79643%0.425SS*.SBendtrans54.617.9-173.5-57.8-175.1178.8-178.10114.7S618 L619S618-K623 PolarHBondContact O-N 3.36Å; L619-K623 WeakPolarHBondContact O-CA 3.2Å; L619-K623 PolarHBondContact O-N 3.04Å
624S89.4Confident91.6Very high66 Ų6684 Ų8446%0.46241%0.414SS..  trans-138.4158.9176.268.50000110.6S618 T622S618-S624 CarbonylContact C-O 3.49Å; S618-S624 WeakPolarHBondContact CB-O 3.41Å; S618-S624 PolarHBondContact OG-O 3.36Å; T622-S624 PolarHBondContact O-N 3.47Å; T622-S624 PolarHBondContact OG1-N 3.45Å; T622-S624 PolarHBondContact OG1-O 2.88Å; T622-S624 PolarHBondContact OG1-OG 3.32Å
625V92.3Very high91.5Very high12 Ų1281.3 Ų81.37%0.07341%0.408CS..  trans-112.6153.1173.7-64.70000110.2E615 L619 H632 P636E615-V625 HydrophobicContact CB-CG1 3.87Å; E615-V625 HydrophobicContact CG-CB 4.37Å; E615-V625 HydrophobicContact CG-CG1 3.94Å; L619-V625 HydrophobicContact CD1-CG1 3.9Å; L619-V625 HydrophobicContact CD2-CG1 3.8Å; L619-V625 HydrophobicContact CG-CG1 3.62Å; V625-H632 HydrophobicContact CG2-CB 4.11Å; V625-P636 HydrophobicContact CB-CG 4.37Å; V625-P636 HydrophobicContact CG1-CG 3.78Å; V625-P636 HydrophobicContact CG2-CG 3.62Å
626S91.7Very high91.4Very high64 Ų6480.3 Ų80.345%0.44840%0.404SS..  trans-52.1139.6174176.90000111.3N628 S629S626-N628 PolarHBondContact O-N 2.95Å; S626-N628 VanDerWaalsContact O-N 3.07Å; S626-N628 PolarHBondContact OG-N 2.99Å; S626-S629 VanDerWaalsContact O-CB 3.22Å; S626-S629 WeakPolarHBondContact O-CB 3.46Å; S626-S629 PolarHBondContact O-N 3.08Å
627P90Very high91.4Very high92 Ų9282 Ų8260%0.59741%0.412SS*.THydrogen-bonded Turntrans-54.5-25.6173.3-27.335.4000114.1S629P627-S629 VanDerWaalsContact C-N 3.31Å
628N91.6Very high91.4Very high154 Ų15479 Ų7982%0.82440%0.399SS*.THydrogen-bonded Turntrans-82.8-5.9178.2-64.8-20.6000113.3S626S626-N628 PolarHBondContact O-N 2.95Å; S626-N628 VanDerWaalsContact O-N 3.07Å; S626-N628 PolarHBondContact OG-N 2.99Å
629S91.7Very high91.4Very high12 Ų1278.7 Ų78.78%0.08439%0.394CS..SBendtrans-68.5138.9177176.80000110.6E615 S626 P627 L631 H632E615-S629 WeakPolarHBondContact CG-OG 3.4Å; E615-S629 WeakPolarHBondContact OE1-CB 3.31Å; E615-S629 PolarHBondContact OE1-OG 2.92Å; S626-S629 VanDerWaalsContact O-CB 3.22Å; S626-S629 WeakPolarHBondContact O-CB 3.46Å; S626-S629 PolarHBondContact O-N 3.08Å; P627-S629 VanDerWaalsContact C-N 3.31Å; S629-L631 PolarHBondContact O-N 3.18Å; S629-L631 PolarHBondContact OG-N 3.31Å; S629-H632 WeakPolarHBondContact O-CB 3.28Å; S629-H632 PolarHBondContact O-N 3.45Å
630R90.5Very high91.2Very high172 Ų17288 Ų8865%0.64944%0.438SS*.THydrogen-bonded Turntrans-61.4-14.5170.9-62.3-179.1-67.1-174.5-1.1112.8
631L93Very high91.2Very high0 Ų087 Ų870%043%0.434CS..THydrogen-bonded Turntrans-93.4-13.7177.3-54.7-169.3000113.2F612 E615 S629 H633 L634 P636 I644 V664 L702F612-L631 HydrophobicContact CB-CD1 4.31Å; F612-L631 HydrophobicContact CD1-CD1 4Å; F612-L631 HydrophobicContact CD1-CD2 4.5Å; F612-L631 HydrophobicContact CD1-CG 4.39Å; F612-L631 HydrophobicContact CD2-CD1 4.23Å; F612-L631 HydrophobicContact CE1-CD1 4.35Å; F612-L631 HydrophobicContact CE1-CD2 4.09Å; F612-L631 HydrophobicContact CE1-CG 4.47Å; F612-L631 HydrophobicContact CG-CD1 3.94Å; F612-L631 HydrophobicContact CZ-CD2 4.27Å; E615-L631 HydrophobicContact CB-CD1 4.24Å; E615-L631 HydrophobicContact CG-CD1 4.13Å; E615-L631 HydrophobicContact CG-CG 4.42Å; S629-L631 PolarHBondContact O-N 3.18Å; S629-L631 PolarHBondContact OG-N 3.31Å; L631-H633 VanDerWaalsContact C-N 3.31Å; L631-H633 PolarHBondContact O-N 3.43Å; L631-L634 HydrophobicContact CD2-CD1 4.15Å; L631-L634 WeakPolarHBondContact O-CA 3.34Å; L631-L634 WeakPolarHBondContact O-CB 3.47Å; L631-L634 PolarHBondContact O-N 2.63Å; L631-P636 HydrophobicContact CB-CB 4.42Å; L631-P636 HydrophobicContact CB-CG 4.03Å; L631-P636 VanDerWaalsContact O-CD 3.3Å; L631-P636 WeakPolarHBondContact O-CD 3.49Å; L631-I644 HydrophobicContact CD1-CG2 4.32Å; L631-V664 HydrophobicContact CD1-CG1 4.25Å; L631-V664 HydrophobicContact CD2-CG1 3.69Å; L631-L702 HydrophobicContact CD2-CD1 3.96Å; L631-L702 HydrophobicContact CD2-CD2 4.07Å; L631-L702 HydrophobicContact CD2-CG 4.46Å
632H92.1Very high91.3Very high77 Ų7782.4 Ų82.436%0.35642%0.416SS..G310 helixtrans-53-44.4-171.4-179.268.8000113.4V625 S629 L634 D635V625-H632 HydrophobicContact CG2-CB 4.11Å; S629-H632 WeakPolarHBondContact O-CB 3.28Å; S629-H632 PolarHBondContact O-N 3.45Å; H632-L634 PolarHBondContact O-N 3.06Å; H632-D635 PolarHBondContact O-N 3.4Å
633H89.4Confident91.8Very high174 Ų17478.4 Ų78.481%0.80639%0.391SS*.G310 helixtrans-70.8-9.1179.1-59.1-58.8000115L631 D635L631-H633 VanDerWaalsContact C-N 3.31Å; L631-H633 PolarHBondContact O-N 3.43Å; H633-D635 VanDerWaalsContact C-N 3.33Å
634L91.4Very high92.2Very high32 Ų3269.7 Ų69.717%0.16835%0.353CS..G310 helixtrans-92.25.4176.7-55.6178.6000112.5L631 H632 I646 G647 W700 L702L631-L634 HydrophobicContact CD2-CD1 4.15Å; L631-L634 WeakPolarHBondContact O-CA 3.34Å; L631-L634 WeakPolarHBondContact O-CB 3.47Å; L631-L634 PolarHBondContact O-N 2.63Å; H632-L634 PolarHBondContact O-N 3.06Å; L634-I646 HydrophobicContact CB-CD1 4.36Å; L634-I646 HydrophobicContact CB-CG1 4.26Å; L634-I646 HydrophobicContact CD1-CD1 4.21Å; L634-I646 HydrophobicContact CD2-CD1 4.19Å; L634-I646 HydrophobicContact CG-CD1 4.5Å; L634-G647 PolarHBondContact O-N 2.92Å; L634-W700 HydrophobicContact CD2-CZ2 4.26Å; L634-L702 HydrophobicContact CD1-CD2 4Å
635D91.7Very high92.5Very high113 Ų11367.1 Ų67.160%0.60433%0.334SS*.  trans46.753.9-177.6-173.735000112.2H632 H633 G647H632-D635 PolarHBondContact O-N 3.4Å; H633-D635 VanDerWaalsContact C-N 3.33Å; D635-G647 WeakPolarHBondContact O-CA 3.28Å; D635-G647 PolarHBondContact O-N 3.35Å
636P94.3Very high92.5Very high10 Ų1067.3 Ų67.37%0.06533%0.334CS..EExtended strand (participates in β ladder)trans-72.3144.6-16531.4-35000111.3L619 V625 L631 I644 R645L619-P636 HydrophobicContact CD1-CB 4.11Å; L619-P636 HydrophobicContact CD1-CG 4.39Å; L619-P636 WeakPolarHBondContact CD2-O 3.39Å; V625-P636 HydrophobicContact CB-CG 4.37Å; V625-P636 HydrophobicContact CG1-CG 3.78Å; V625-P636 HydrophobicContact CG2-CG 3.62Å; L631-P636 HydrophobicContact CB-CB 4.42Å; L631-P636 HydrophobicContact CB-CG 4.03Å; L631-P636 VanDerWaalsContact O-CD 3.3Å; L631-P636 WeakPolarHBondContact O-CD 3.49Å; P636-I644 HydrophobicContact CB-CG2 3.88Å; P636-R645 VanDerWaalsContact CA-O 3.3Å; P636-R645 WeakPolarHBondContact CA-O 3.49Å
637F94Very high92.1Very high73 Ų7364.9 Ų64.932%0.3232%0.319SS..EExtended strand (participates in β ladder)trans-136.6159.817072.6-83.5000110.9D639 I644 R645 H661F637-D639 HydrophobicContact CE2-CB 4.27Å; F637-I644 CarbonylContact O-C 3.58Å; F637-I644 WeakPolarHBondContact O-CA 3.4Å; F637-R645 HydrophobicContact CD1-CB 4.48Å; F637-R645 HydrophobicContact CE1-CB 3.95Å; F637-R645 HydrophobicContact CE2-CB 4.45Å; F637-R645 HydrophobicContact CZ-CB 3.94Å; F637-R645 PolarHBondContact N-O 2.83Å; F637-R645 PolarHBondContact O-N 3.04Å; F637-H661 HydrophobicContact CE1-CB 4.13Å; F637-H661 AromaticContact CE1-CG 3.9Å; F637-H661 AromaticContact CE1-ND1 3.62Å; F637-H661 HydrophobicContact CZ-CB 3.93Å; F637-H661 AromaticContact CZ-CG 3.77Å; F637-H661 AromaticContact CZ-ND1 3.94Å
638I93.9Very high91.3Very high38 Ų3861.8 Ų61.820%0.19530%0.304CS..EExtended strand (participates in β ladder)trans-96.4130172.5-75177.5000109W616 L619 K620 L643 I644W616-I638 HydrophobicContact CD2-CD1 4.44Å; W616-I638 HydrophobicContact CG-CD1 4.11Å; W616-I638 VanDerWaalsContact O-CD1 3.26Å; W616-I638 WeakPolarHBondContact O-CD1 3.35Å; L619-I638 HydrophobicContact CB-CB 4.46Å; L619-I638 HydrophobicContact CB-CD1 3.52Å; L619-I638 HydrophobicContact CB-CG1 3.68Å; L619-I638 HydrophobicContact CD1-CD1 4.5Å; L619-I638 HydrophobicContact CD1-CG1 4.06Å; K620-I638 HydrophobicContact CG-CD1 3.77Å; I638-L643 WeakPolarHBondContact CA-O 3.38Å; I638-I644 HydrophobicContact CG1-CG1 4.04Å
639D92.1Very high90.6Very high30 Ų3066 Ų6616%0.1631%0.308CS..  trans-84.8-179.217676.2-7.5000113.1F637 E641 E642 L643 R645F637-D639 HydrophobicContact CE2-CB 4.27Å; D639-E641 PolarHBondContact O-N 3.34Å; D639-E641 VanDerWaalsContact OD1-C 3.31Å; D639-E641 WeakPolarHBondContact OD1-CA 3.16Å; D639-E641 PolarHBondContact OD1-N 2.84Å; D639-E642 PolarHBondContact O-N 2.67Å; D639-E642 PolarHBondContact OD1-N 3.31Å; D639-E642 VanDerWaalsContact OD1-N 3.09Å; D639-L643 PolarHBondContact N-O 2.55Å; D639-L643 WeakPolarHBondContact OD1-CB 3.48Å; D639-L643 PolarHBondContact OD1-N 3.22Å; D639-R645 IonicContact OD2-CZ 3.79Å; D639-R645 VanDerWaalsContact OD2-CZ 3.28Å; D639-R645 IonicContact OD2-NE 3.81Å; D639-R645 PolarHBondContact OD2-NE 3.45Å; D639-R645 IonicContact OD2-NH2 3.58Å; D639-R645 PolarHBondContact OD2-NH2 3.4Å
640E90.4Very high90.1Very high202 Ų20269.4 Ų69.494%0.94433%0.325SS*.THydrogen-bonded Turntrans-63.1-22177.1-60.8175.3-170.200113.3E642E640-E642 VanDerWaalsContact C-N 3.28Å
641E91.2Very high89.4Confident72 Ų7266.3 Ų66.334%0.33632%0.318SS..THydrogen-bonded Turntrans-89.59.2175.9-60.3-169.2141.500112.7R601 R605 D639 L643 R645R601-E641 WeakPolarHBondContact CD-OE1 3.26Å; R601-E641 WeakPolarHBondContact CD-OE2 3.3Å; R601-E641 IonicContact CZ-OE1 3.94Å; R601-E641 IonicContact NE-OE1 3.49Å; R601-E641 IonicContact NH1-OE1 2.74Å; R601-E641 PolarHBondContact NH1-OE1 2.96Å; R605-E641 WeakPolarHBondContact CD-O 3.34Å; D639-E641 PolarHBondContact O-N 3.34Å; D639-E641 VanDerWaalsContact OD1-C 3.31Å; D639-E641 WeakPolarHBondContact OD1-CA 3.16Å; D639-E641 PolarHBondContact OD1-N 2.84Å; E641-L643 VanDerWaalsContact C-N 3.28Å; E641-L643 HydrophobicContact CB-CD1 4.33Å; E641-L643 HydrophobicContact CB-CG 4.5Å; E641-L643 PolarHBondContact O-N 3.48Å; E641-R645 IonicContact OE2-NH2 2.68Å
642E93.6Very high88.8Confident70 Ų7073.7 Ų73.733%0.32736%0.356SS..SBendtrans61.428.2-177-48.8-165.8153.600115.2W616 K620 D639 E640W616-E642 HydrophobicContact CZ2-CB 4.45Å; W616-E642 PolarHBondContact NE1-O 3.07Å; W616-E642 VanDerWaalsContact NE1-O 3.12Å; K620-E642 IonicContact NZ-OE1 2.71Å; K620-E642 PolarHBondContact NZ-OE1 3.43Å; K620-E642 IonicContact NZ-OE2 3.26Å; K620-E642 PolarHBondContact NZ-OE2 3.41Å; D639-E642 PolarHBondContact O-N 2.67Å; D639-E642 PolarHBondContact OD1-N 3.31Å; D639-E642 VanDerWaalsContact OD1-N 3.09Å; E640-E642 VanDerWaalsContact C-N 3.28Å
643L96Very high88.4Confident0 Ų071.8 Ų71.80%035%0.351CS..  trans-101.9134.9177.6-67.6170.5000111.3L604 R605 Q608 I638 D639 E641 R645 I663L604-L643 HydrophobicContact CB-CD2 3.64Å; R605-L643 HydrophobicContact CB-CD2 4.41Å; R605-L643 HydrophobicContact CG-CD2 3.58Å; R605-L643 HydrophobicContact CG-CG 4.2Å; Q608-L643 VanDerWaalsContact OE1-CA 3.31Å; I638-L643 WeakPolarHBondContact CA-O 3.38Å; D639-L643 PolarHBondContact N-O 2.55Å; D639-L643 WeakPolarHBondContact OD1-CB 3.48Å; D639-L643 PolarHBondContact OD1-N 3.22Å; E641-L643 VanDerWaalsContact C-N 3.28Å; E641-L643 HydrophobicContact CB-CD1 4.33Å; E641-L643 HydrophobicContact CB-CG 4.5Å; E641-L643 PolarHBondContact O-N 3.48Å; L643-R645 PolarHBondContact O-N 2.92Å; L643-I663 HydrophobicContact CD1-CD1 3.98Å; L643-I663 HydrophobicContact CD1-CG1 4.38Å
644I96Very high88.1Confident0 Ų068 Ų680%036%0.359CS..EExtended strand (participates in β ladder)trans-70.6120.7171.4-53.6174.3000108.9Q608 F612 W616 L619 L631 P636 F637 I638 V664Q608-I644 PolarHBondContact NE2-O 3.26Å; F612-I644 HydrophobicContact CB-CD1 3.93Å; F612-I644 HydrophobicContact CD2-CD1 4.32Å; W616-I644 HydrophobicContact CB-CD1 4.09Å; L619-I644 HydrophobicContact CD1-CD1 4.37Å; L619-I644 HydrophobicContact CD1-CG1 4.15Å; L619-I644 HydrophobicContact CD1-CG2 3.97Å; L631-I644 HydrophobicContact CD1-CG2 4.32Å; P636-I644 HydrophobicContact CB-CG2 3.88Å; F637-I644 CarbonylContact O-C 3.58Å; F637-I644 WeakPolarHBondContact O-CA 3.4Å; I638-I644 HydrophobicContact CG1-CG1 4.04Å; I644-V664 HydrophobicContact CG2-CB 4.25Å; I644-V664 HydrophobicContact CG2-CG2 4.25Å; I644-V664 PolarHBondContact O-N 3.43Å
645R95.1Very high87.7Confident13 Ų1370.6 Ų70.65%0.04937%0.373CS..EExtended strand (participates in β ladder)trans-121.4160.9176.4-66.2-176-178-92.9-2.9111.3P636 F637 D639 E641 L643 H661 Q662 I663P636-R645 VanDerWaalsContact CA-O 3.3Å; P636-R645 WeakPolarHBondContact CA-O 3.49Å; F637-R645 HydrophobicContact CD1-CB 4.48Å; F637-R645 HydrophobicContact CE1-CB 3.95Å; F637-R645 HydrophobicContact CE2-CB 4.45Å; F637-R645 HydrophobicContact CZ-CB 3.94Å; F637-R645 PolarHBondContact N-O 2.83Å; F637-R645 PolarHBondContact O-N 3.04Å; D639-R645 IonicContact OD2-CZ 3.79Å; D639-R645 VanDerWaalsContact OD2-CZ 3.28Å; D639-R645 IonicContact OD2-NE 3.81Å; D639-R645 PolarHBondContact OD2-NE 3.45Å; D639-R645 IonicContact OD2-NH2 3.58Å; D639-R645 PolarHBondContact OD2-NH2 3.4Å; E641-R645 IonicContact OE2-NH2 2.68Å; L643-R645 PolarHBondContact O-N 2.92Å; R645-H661 HydrophobicContact CB-CB 4.1Å; R645-H661 VanDerWaalsContact CD-O 3.32Å; R645-H661 WeakPolarHBondContact CD-O 3.32Å; R645-H661 PolarHBondContact NH1-O 3.07Å; R645-Q662 VanDerWaalsContact CA-O 3.27Å; R645-Q662 WeakPolarHBondContact CA-O 3.49Å; R645-I663 HydrophobicContact CG-CG1 4.27Å; R645-I663 VanDerWaalsContact NH1-CG1 3.34Å
646I92.4Very high87.3Confident16 Ų1668.9 Ų68.98%0.08237%0.369CS..EExtended strand (participates in β ladder)trans-76125.2174.4-65.8-166.5000110.7L634 H661 Q662 V664 W700L634-I646 HydrophobicContact CB-CD1 4.36Å; L634-I646 HydrophobicContact CB-CG1 4.26Å; L634-I646 HydrophobicContact CD1-CD1 4.21Å; L634-I646 HydrophobicContact CD2-CD1 4.19Å; L634-I646 HydrophobicContact CG-CD1 4.5Å; I646-H661 PolarHBondContact O-ND1 2.82Å; I646-Q662 PolarHBondContact N-O 3.43Å; I646-V664 HydrophobicContact CD1-CG2 4.3Å; I646-V664 HydrophobicContact CG1-CG2 3.5Å; I646-V664 VanDerWaalsContact CG1-CG2 3.5Å; I646-W700 HydrophobicContact CD1-CB 3.29Å; I646-W700 HydrophobicContact CD1-CD2 3.33Å; I646-W700 HydrophobicContact CD1-CE3 3.83Å; I646-W700 HydrophobicContact CD1-CG 3.1Å; I646-W700 HydrophobicContact CG1-CB 4.12Å; I646-W700 HydrophobicContact CG1-CG 4.32Å
647G84.5Confident86.9Confident12 Ų1272.3 Ų72.312%0.12439%0.39CS..  trans-74.7137.1160.600000109.6L634 D635L634-G647 PolarHBondContact O-N 2.92Å; D635-G647 WeakPolarHBondContact O-CA 3.28Å; D635-G647 PolarHBondContact O-N 3.35Å
648G72Confident86.5Confident28 Ų2872.1 Ų72.129%0.28939%0.39SS..  trans-154.6157.6-165.700000114.6L650 H651G648-L650 PolarHBondContact O-N 3.4Å; G648-H651 PolarHBondContact O-ND1 2.98Å
649R77.8Confident86.2Confident242 Ų24271.2 Ų71.291%0.91339%0.387SS*.THydrogen-bonded Turntrans-73.20.5176.1-66.5-178.5-92.8-177.9-6.9113.7
650L80.4Confident86.1Confident84 Ų8472.8 Ų72.844%0.4439%0.391SS..THydrogen-bonded Turntrans-92.99.3-177.8-64.4177.7000113.7G648 L652 S653 L655 R660G648-L650 PolarHBondContact O-N 3.4Å; L650-L652 PolarHBondContact O-N 2.93Å; L650-S653 VanDerWaalsContact O-CB 3.31Å; L650-S653 WeakPolarHBondContact O-CB 3.45Å; L650-S653 PolarHBondContact O-N 3.39Å; L650-S653 PolarHBondContact O-OG 3.17Å; L650-L655 HydrophobicContact CD1-CD1 4.37Å; L650-R660 WeakPolarHBondContact O-CD 3.43Å
651H77.1Confident86.2Confident106 Ų10664.5 Ų64.549%0.49135%0.352SS..THydrogen-bonded Turntrans-58.4-31.7-178.260.8-84.5000113G648 R660G648-H651 PolarHBondContact O-ND1 2.98Å; H651-R660 PolarHBondContact O-NH1 3.22Å
652L80.1Confident86.4Confident156 Ų15662.1 Ų62.182%0.81734%0.341SS*.THydrogen-bonded Turntrans-86.10.6174.9-58.2179000114.5L650L650-L652 PolarHBondContact O-N 2.93Å
653S82.1Confident86.5Confident36 Ų3658.9 Ų58.925%0.25233%0.326SS..SBendtrans-76.9151178.6710000111.6L650 L655 R660L650-S653 VanDerWaalsContact O-CB 3.31Å; L650-S653 WeakPolarHBondContact O-CB 3.45Å; L650-S653 PolarHBondContact O-N 3.39Å; L650-S653 PolarHBondContact O-OG 3.17Å; S653-L655 PolarHBondContact O-N 2.62Å; S653-R660 WeakPolarHBondContact OG-CD 2.86Å; S653-R660 WeakPolarHBondContact OG-CG 3.36Å
654G83.9Confident86.5Confident94 Ų9458.9 Ų58.997%0.96933%0.326SS*.SBendtrans-73.414.7173.100000114.7
655L82.5Confident86.6Confident87 Ų8758.9 Ų58.946%0.45533%0.326SS..SBendtrans-77.5151.9179.4-63.8174.4000110.7L650 S653 R660L650-L655 HydrophobicContact CD1-CD1 4.37Å; S653-L655 PolarHBondContact O-N 2.62Å; L655-R660 HydrophobicContact CB-CG 3.73Å; L655-R660 WeakPolarHBondContact O-CD 3.49Å; L655-R660 PolarHBondContact O-NE 2.79Å
656C84.9Confident86.7Confident78 Ų7858.9 Ų58.953%0.52733%0.328SS..  trans-63.4156.6172.970.40000111.1E658 S659 R660C656-E658 VanDerWaalsContact C-N 3.26Å; C656-E658 PolarHBondContact O-N 3.22Å; C656-S659 PolarHBondContact O-N 3.44Å; C656-S659 PolarHBondContact SG-OG 2.69Å; C656-R660 PolarHBondContact O-N 3.34Å
657T84.2Confident86.8Confident81 Ų8159.2 Ų59.250%0.49733%0.329SS..Hα-helixtrans-56.5-38-174.5-54.10000113S659 R660 H661T657-S659 VanDerWaalsContact C-N 3.3Å; T657-S659 PolarHBondContact O-N 3.2Å; T657-R660 PolarHBondContact O-N 2.61Å; T657-R660 PolarHBondContact OG1-NH2 2.8Å; T657-H661 PolarHBondContact O-N 3.09Å
658E87.4Confident87.1Confident69 Ų6964.3 Ų64.332%0.32235%0.349SS..Hα-helixtrans-64.3-33177.3-62.5-167.1129.900113.3C656 H661 Q697 R698C656-E658 VanDerWaalsContact C-N 3.26Å; C656-E658 PolarHBondContact O-N 3.22Å; E658-H661 CarbonylContact O-C 3.57Å; E658-Q697 CarbonylContact C-O 3.53Å; E658-Q697 VanDerWaalsContact C-O 3.31Å; E658-R698 HydrophobicContact CB-CG 4.03Å; E658-R698 IonicContact OE1-CZ 3.62Å; E658-R698 IonicContact OE1-NE 3.28Å; E658-R698 PolarHBondContact OE1-NE 3.19Å; E658-R698 IonicContact OE1-NH2 3.5Å; E658-R698 PolarHBondContact OE1-NH2 3.23Å; E658-R698 WeakPolarHBondContact OE2-CD 3.49Å; E658-R698 VanDerWaalsContact OE2-CG 3.28Å; E658-R698 WeakPolarHBondContact OE2-CG 3.3Å; E658-R698 IonicContact OE2-CZ 2.66Å; E658-R698 IonicContact OE2-NE 3Å; E658-R698 PolarHBondContact OE2-NE 3.26Å
659S87.5Confident88Confident19 Ų1965.2 Ų65.213%0.13336%0.359CS..Hα-helixtrans-86.9-19.9177.9-650000113.5C656 T657 Q662 Q697C656-S659 PolarHBondContact O-N 3.44Å; C656-S659 PolarHBondContact SG-OG 2.69Å; T657-S659 VanDerWaalsContact C-N 3.3Å; T657-S659 PolarHBondContact O-N 3.2Å; S659-Q662 PolarHBondContact O-NE2 3.49Å; S659-Q697 WeakPolarHBondContact CA-O 3.28Å; S659-Q697 WeakPolarHBondContact CB-O 3.46Å; S659-Q697 PolarHBondContact N-O 3.02Å; S659-Q697 PolarHBondContact OG-O 2.88Å
660R89.1Confident88.7Confident64 Ų6456.8 Ų56.824%0.24233%0.33CS..Hα-helixtrans-78-39.9169.7-70.8-171-73.5159.15.5111.7L650 H651 S653 L655 C656 T657L650-R660 WeakPolarHBondContact O-CD 3.43Å; H651-R660 PolarHBondContact O-NH1 3.22Å; S653-R660 WeakPolarHBondContact OG-CD 2.86Å; S653-R660 WeakPolarHBondContact OG-CG 3.36Å; L655-R660 HydrophobicContact CB-CG 3.73Å; L655-R660 WeakPolarHBondContact O-CD 3.49Å; L655-R660 PolarHBondContact O-NE 2.79Å; C656-R660 PolarHBondContact O-N 3.34Å; T657-R660 PolarHBondContact O-N 2.61Å; T657-R660 PolarHBondContact OG1-NH2 2.8Å
661H92.2Very high89.4Confident27 Ų2753 Ų5313%0.12531%0.31CS..SBendtrans-128.481.6-173.7-58-61.8000109.7F637 R645 I646 T657 E658F637-H661 HydrophobicContact CE1-CB 4.13Å; F637-H661 AromaticContact CE1-CG 3.9Å; F637-H661 AromaticContact CE1-ND1 3.62Å; F637-H661 HydrophobicContact CZ-CB 3.93Å; F637-H661 AromaticContact CZ-CG 3.77Å; F637-H661 AromaticContact CZ-ND1 3.94Å; R645-H661 HydrophobicContact CB-CB 4.1Å; R645-H661 VanDerWaalsContact CD-O 3.32Å; R645-H661 WeakPolarHBondContact CD-O 3.32Å; R645-H661 PolarHBondContact NH1-O 3.07Å; I646-H661 PolarHBondContact O-ND1 2.82Å; T657-H661 PolarHBondContact O-N 3.09Å; E658-H661 CarbonylContact O-C 3.57Å
662Q94.9Very high90.3Very high23 Ų2348 Ų4811%0.10729%0.286CS..PPolyproline II helixtrans-65.2143.3-179.8-63.881.310.800111.3R645 I646 S659 V664 R696 R698 W700R645-Q662 VanDerWaalsContact CA-O 3.27Å; R645-Q662 WeakPolarHBondContact CA-O 3.49Å; I646-Q662 PolarHBondContact N-O 3.43Å; S659-Q662 PolarHBondContact O-NE2 3.49Å; Q662-V664 PolarHBondContact O-N 3Å; Q662-R696 WeakPolarHBondContact CG-O 3.5Å; Q662-R696 PolarHBondContact NE2-O 3.36Å; Q662-R698 WeakPolarHBondContact CA-O 3.39Å; Q662-W700 HydrophobicContact CB-CB 4Å
663I96.7Very high91.1Very high2 Ų242.6 Ų42.61%0.0126%0.258CS..EExtended strand (participates in β ladder)trans-71.3124.6174.8-61.6162.6000108.9L604 L643 R645 L665 R698 F699 W700L604-I663 HydrophobicContact CD1-CD1 4.14Å; L604-I663 HydrophobicContact CD2-CG2 4.49Å; L643-I663 HydrophobicContact CD1-CD1 3.98Å; L643-I663 HydrophobicContact CD1-CG1 4.38Å; R645-I663 HydrophobicContact CG-CG1 4.27Å; R645-I663 VanDerWaalsContact NH1-CG1 3.34Å; I663-L665 HydrophobicContact CG2-CD2 4.35Å; I663-L665 HydrophobicContact CG2-CG 4.46Å; I663-R698 PolarHBondContact N-O 3.12Å; I663-F699 HydrophobicContact CB-CD1 4Å; I663-F699 HydrophobicContact CB-CE1 4.41Å; I663-F699 HydrophobicContact CD1-CD1 4.43Å; I663-F699 HydrophobicContact CD1-CE1 4.03Å; I663-F699 HydrophobicContact CG2-CD1 4.45Å; I663-F699 CarbonylContact O-C 3.51Å; I663-F699 WeakPolarHBondContact O-CA 3.37Å; I663-W700 PolarHBondContact O-N 2.87Å
664V96.8Very high91.8Very high0 Ų041.1 Ų41.10%025%0.247CC..EExtended strand (participates in β ladder)trans-77.6128-179.2-179.90000109.9Q608 F612 L631 I644 I646 Q662 W700Q608-V664 PolarHBondContact NE2-O 2.96Å; F612-V664 HydrophobicContact CE2-CG1 3.98Å; F612-V664 HydrophobicContact CZ-CG1 4.21Å; L631-V664 HydrophobicContact CD1-CG1 4.25Å; L631-V664 HydrophobicContact CD2-CG1 3.69Å; I644-V664 HydrophobicContact CG2-CB 4.25Å; I644-V664 HydrophobicContact CG2-CG2 4.25Å; I644-V664 PolarHBondContact O-N 3.43Å; I646-V664 HydrophobicContact CD1-CG2 4.3Å; I646-V664 HydrophobicContact CG1-CG2 3.5Å; I646-V664 VanDerWaalsContact CG1-CG2 3.5Å; Q662-V664 PolarHBondContact O-N 3Å; V664-W700 WeakPolarHBondContact CA-O 3.48Å
665L97.8Very high92.4Very high0 Ų036.9 Ų36.90%020%0.202CC..EExtended strand (participates in β ladder)trans-128.2146.5177.6-67.4177.4000111.5L604 V607 Q608 I663 V672 L675 F699 W700 I701 L702L604-L665 HydrophobicContact CD2-CD1 4.02Å; L604-L665 HydrophobicContact CD2-CD2 3.8Å; L604-L665 HydrophobicContact CD2-CG 4.44Å; V607-L665 HydrophobicContact CG1-CD2 4.11Å; Q608-L665 HydrophobicContact CG-CD2 4.46Å; I663-L665 HydrophobicContact CG2-CD2 4.35Å; I663-L665 HydrophobicContact CG2-CG 4.46Å; L665-V672 HydrophobicContact CB-CG2 4.41Å; L665-L675 HydrophobicContact CD1-CD1 4.28Å; L665-F699 HydrophobicContact CD1-CB 4.29Å; L665-F699 HydrophobicContact CD1-CD1 3.66Å; L665-F699 HydrophobicContact CD1-CE1 4.31Å; L665-F699 HydrophobicContact CD1-CG 4.13Å; L665-F699 HydrophobicContact CG-CD1 4.4Å; L665-W700 PolarHBondContact N-O 2.84Å; L665-I701 HydrophobicContact CB-CG1 4.25Å; L665-I701 HydrophobicContact CD1-CG1 4.5Å; L665-I701 WeakPolarHBondContact O-CA 2.97Å; L665-L702 PolarHBondContact O-N 2.68Å
666P96.8Very high93.1Very high13 Ų1332.7 Ų32.78%0.08418%0.181CC..  trans-66166.1171.832.1-36.6000110.7V607 A611 F612 V672 I701V607-P666 VanDerWaalsContact CG1-CD 3.48Å; V607-P666 HydrophobicContact CG1-CG 3.57Å; A611-P666 HydrophobicContact CB-CB 3.75Å; A611-P666 HydrophobicContact CB-CG 3.67Å; F612-P666 HydrophobicContact CZ-CB 3.96Å; P666-V672 HydrophobicContact CG-CG2 4.27Å; P666-V672 WeakPolarHBondContact O-CG1 3.47Å; P666-I701 WeakPolarHBondContact O-CG2 3.13Å
667H94.5Very high93.6Very high22 Ų2233.2 Ų33.210%0.10217%0.172CC..SBendtrans-89.5-8.4178.478.1-71.1000114L702 K703 T707 R710H667-L702 HydrophobicContact CB-CB 4.45Å; H667-L702 WeakPolarHBondContact CB-O 3.33Å; H667-K703 HydrophobicContact CB-CB 4.09Å; H667-K703 PolarHBondContact NE2-NZ 3.49Å; H667-K703 VanDerWaalsContact NE2-NZ 3.13Å; H667-T707 WeakPolarHBondContact O-CG2 3.32Å; H667-R710 PolarHBondContact O-NH2 3.3Å
668E89.9Confident94.2Very high120 Ų12032 Ų3256%0.56116%0.158SC*.  trans-113.2164.9-176.2-70.1164-169.900109.8
669G91Very high94.7Very high47 Ų4729.5 Ų29.549%0.48515%0.148SC..SBendtrans96.2139.5179.300000113.7F671 V672 L673G669-F671 VanDerWaalsContact C-N 3.32Å; G669-F671 PolarHBondContact O-N 2.9Å; G669-V672 PolarHBondContact O-N 3Å; G669-L673 PolarHBondContact O-N 2.94Å
670Q93.3Very high95.1Very high65 Ų6528.6 Ų28.630%0.30414%0.142SC..Hα-helixtrans-64-34.8-172.8-179.967.9-0.200112.9P556 Q557 V672 L673 L674P556-Q670 HydrophobicContact CB-CB 4.13Å; P556-Q670 HydrophobicContact CB-CG 4.09Å; P556-Q670 WeakPolarHBondContact O-CG 3.11Å; Q557-Q670 HydrophobicContact CG-CB 4.29Å; Q670-V672 VanDerWaalsContact C-N 3.33Å; Q670-V672 PolarHBondContact O-N 2.7Å; Q670-L673 PolarHBondContact O-N 3.26Å; Q670-L674 HydrophobicContact CG-CD1 4.09Å; Q670-L674 HydrophobicContact CG-CG 4.19Å; Q670-L674 WeakPolarHBondContact O-CG 3.08Å; Q670-L674 PolarHBondContact O-N 2.82Å
671F94.7Very high95.3Very high4 Ų429.5 Ų29.52%0.01815%0.149CC..Hα-helixtrans-56.5-46.6176.5179.6-92.2000112.1P556 L562 L565 I566 W603 L604 V607 G669 L673 L674 L675P556-F671 HydrophobicContact CG-CB 4.45Å; L562-F671 HydrophobicContact CD1-CD2 3.97Å; L562-F671 HydrophobicContact CD1-CE2 3.53Å; L562-F671 HydrophobicContact CD1-CZ 4.2Å; L565-F671 HydrophobicContact CD2-CD2 3.78Å; L565-F671 HydrophobicContact CD2-CE2 4.22Å; I566-F671 HydrophobicContact CD1-CE2 4.26Å; W603-F671 HydrophobicContact CB-CD2 3.71Å; W603-F671 HydrophobicContact CB-CE1 4.42Å; W603-F671 HydrophobicContact CB-CE2 3.21Å; W603-F671 HydrophobicContact CB-CG 4.5Å; W603-F671 HydrophobicContact CB-CZ 3.61Å; W603-F671 HydrophobicContact CD2-CD2 4.16Å; W603-F671 HydrophobicContact CD2-CE2 4.36Å; W603-F671 HydrophobicContact CE3-CD2 4.22Å; W603-F671 AromaticContact CG-CD2 3.94Å; W603-F671 HydrophobicContact CG-CD2 3.94Å; W603-F671 AromaticContact CG-CE2 3.67Å; W603-F671 HydrophobicContact CG-CE2 3.67Å; L604-F671 HydrophobicContact CD2-CE1 3.81Å; L604-F671 HydrophobicContact CD2-CZ 4.27Å; L604-F671 HydrophobicContact CG-CE1 4.37Å; L604-F671 HydrophobicContact CG-CZ 4.4Å; V607-F671 HydrophobicContact CG2-CB 3.88Å; V607-F671 HydrophobicContact CG2-CD1 3.8Å; V607-F671 HydrophobicContact CG2-CG 3.95Å; G669-F671 VanDerWaalsContact C-N 3.32Å; G669-F671 PolarHBondContact O-N 2.9Å; F671-L673 VanDerWaalsContact C-N 3.33Å; F671-L673 PolarHBondContact O-N 2.99Å; F671-L674 PolarHBondContact O-N 3.48Å; F671-L675 HydrophobicContact CE1-CD1 3.98Å; F671-L675 HydrophobicContact CZ-CD1 4.42Å; F671-L675 WeakPolarHBondContact O-CB 3.34Å; F671-L675 PolarHBondContact O-N 2.8Å
672V96.6Very high95.4Very high1 Ų135.6 Ų35.61%0.00617%0.17CC..Hα-helixtrans-64.9-39.2179.1-179.30000110.9V607 L665 P666 G669 Q670 L675 I676 I701V607-V672 HydrophobicContact CG1-CG2 4.22Å; L665-V672 HydrophobicContact CB-CG2 4.41Å; P666-V672 HydrophobicContact CG-CG2 4.27Å; P666-V672 WeakPolarHBondContact O-CG1 3.47Å; G669-V672 PolarHBondContact O-N 3Å; Q670-V672 VanDerWaalsContact C-N 3.33Å; Q670-V672 PolarHBondContact O-N 2.7Å; V672-L675 PolarHBondContact O-N 3.21Å; V672-I676 HydrophobicContact CG1-CD1 4.08Å; V672-I676 VanDerWaalsContact O-CG1 3.31Å; V672-I676 WeakPolarHBondContact O-CG1 3.38Å; V672-I676 PolarHBondContact O-N 3.07Å; V672-I701 HydrophobicContact CG1-CD1 4.04Å; V672-I701 HydrophobicContact CG1-CG1 4.42Å; V672-I701 HydrophobicContact CG1-CG2 3.87Å
673L96.4Very high95.2Very high43 Ų4338.1 Ų38.123%0.22518%0.182CC..Hα-helixtrans-65-42.4176.5-60-178.3000112.2G669 Q670 F671 L675 I676 R677 T707 V711G669-L673 PolarHBondContact O-N 2.94Å; Q670-L673 PolarHBondContact O-N 3.26Å; F671-L673 VanDerWaalsContact C-N 3.33Å; F671-L673 PolarHBondContact O-N 2.99Å; L673-L675 VanDerWaalsContact C-N 3.33Å; L673-I676 PolarHBondContact O-N 3.27Å; L673-R677 WeakPolarHBondContact O-CB 3.45Å; L673-R677 PolarHBondContact O-N 3.49Å; L673-T707 HydrophobicContact CD2-CG2 3.99Å; L673-V711 HydrophobicContact CB-CG2 4.49Å; L673-V711 HydrophobicContact CD2-CG2 3.79Å
674L96.4Very high94.9Very high4 Ų445.5 Ų45.52%0.02122%0.221CC..Hα-helixtrans-64-38.1174.8-70.4175.6000111.7P556 I559 S560 L562 Q670 F671 R677 R678P556-L674 HydrophobicContact CB-CD1 4.47Å; I559-L674 WeakPolarHBondContact O-CD1 3.49Å; S560-L674 VanDerWaalsContact C-CD2 3.44Å; S560-L674 VanDerWaalsContact O-CD2 3.22Å; S560-L674 WeakPolarHBondContact O-CD2 3.43Å; L562-L674 HydrophobicContact CB-CB 4.05Å; Q670-L674 HydrophobicContact CG-CD1 4.09Å; Q670-L674 HydrophobicContact CG-CG 4.19Å; Q670-L674 WeakPolarHBondContact O-CG 3.08Å; Q670-L674 PolarHBondContact O-N 2.82Å; F671-L674 PolarHBondContact O-N 3.48Å; L674-R677 PolarHBondContact O-N 3.47Å; L674-R678 WeakPolarHBondContact O-CB 3.32Å; L674-R678 PolarHBondContact O-N 2.72Å
675L97Very high94.7Very high5 Ų548.6 Ų48.63%0.02624%0.235CC..Hα-helixtrans-63.9-47.2175.8-175.1148.3000112L562 L665 F671 V672 L673 R678 C679 L695 F699 I701L562-L675 HydrophobicContact CD2-CB 3.82Å; L562-L675 HydrophobicContact CD2-CD1 4.45Å; L562-L675 HydrophobicContact CD2-CG 4.16Å; L665-L675 HydrophobicContact CD1-CD1 4.28Å; F671-L675 HydrophobicContact CE1-CD1 3.98Å; F671-L675 HydrophobicContact CZ-CD1 4.42Å; F671-L675 WeakPolarHBondContact O-CB 3.34Å; F671-L675 PolarHBondContact O-N 2.8Å; V672-L675 PolarHBondContact O-N 3.21Å; L673-L675 VanDerWaalsContact C-N 3.33Å; L675-R678 PolarHBondContact O-N 2.76Å; L675-C679 PolarHBondContact O-N 3.29Å; L675-L695 HydrophobicContact CD2-CD2 3.47Å; L675-L695 VanDerWaalsContact CD2-CD2 3.47Å; L675-F699 HydrophobicContact CD1-CD2 4.37Å; L675-F699 HydrophobicContact CD1-CE1 4.18Å; L675-F699 HydrophobicContact CD1-CE2 3.94Å; L675-F699 HydrophobicContact CD1-CZ 3.85Å; L675-F699 HydrophobicContact CD2-CD2 3.93Å; L675-F699 HydrophobicContact CD2-CE2 4.12Å; L675-F699 HydrophobicContact CD2-CG 4.44Å; L675-F699 HydrophobicContact CG-CE2 4.4Å; L675-I701 HydrophobicContact CD2-CD1 4.35Å
676I97.8Very high94.1Very high0 Ų049.7 Ų49.70%024%0.244CC..Hα-helixtrans-62.9-44.4175.3-66.2167.5000110.6V672 L673 C679 H680 L695 I701 T707 V708 V711V672-I676 HydrophobicContact CG1-CD1 4.08Å; V672-I676 VanDerWaalsContact O-CG1 3.31Å; V672-I676 WeakPolarHBondContact O-CG1 3.38Å; V672-I676 PolarHBondContact O-N 3.07Å; L673-I676 PolarHBondContact O-N 3.27Å; I676-C679 PolarHBondContact O-N 3.23Å; I676-H680 WeakPolarHBondContact O-CB 3.46Å; I676-H680 PolarHBondContact O-N 2.76Å; I676-L695 HydrophobicContact CB-CD1 4.43Å; I676-L695 HydrophobicContact CG1-CD1 3.9Å; I676-L695 HydrophobicContact CG2-CD1 4.32Å; I676-I701 HydrophobicContact CD1-CD1 3.81Å; I676-I701 HydrophobicContact CG1-CD1 3.63Å; I676-T707 HydrophobicContact CD1-CG2 3.44Å; I676-T707 VanDerWaalsContact CD1-CG2 3.44Å; I676-V708 HydrophobicContact CD1-CG2 4.28Å; I676-V708 HydrophobicContact CG1-CG2 4.4Å; I676-V708 HydrophobicContact CG2-CB 4.34Å; I676-V708 HydrophobicContact CG2-CG1 4.42Å; I676-V708 HydrophobicContact CG2-CG2 3.94Å; I676-V711 HydrophobicContact CB-CB 4.44Å; I676-V711 HydrophobicContact CB-CG1 4.4Å; I676-V711 HydrophobicContact CB-CG2 4.11Å; I676-V711 HydrophobicContact CD1-CG2 4.4Å; I676-V711 HydrophobicContact CG2-CB 3.69Å; I676-V711 HydrophobicContact CG2-CG1 3.81Å; I676-V711 HydrophobicContact CG2-CG2 3.83Å
677R96Very high93.8Very high89 Ų8951.2 Ų51.234%0.33626%0.262SS..Hα-helixtrans-59.7-47.5178.6177.5178.2-82.3-175.5-6.6111.1L673 L674 C679 H680 E681 V711L673-R677 WeakPolarHBondContact O-CB 3.45Å; L673-R677 PolarHBondContact O-N 3.49Å; L674-R677 PolarHBondContact O-N 3.47Å; R677-C679 VanDerWaalsContact C-N 3.32Å; R677-C679 PolarHBondContact O-N 3.11Å; R677-H680 PolarHBondContact O-N 3.41Å; R677-E681 WeakPolarHBondContact CD-OE1 3.3Å; R677-E681 HydrophobicContact CG-CG 4.27Å; R677-E681 WeakPolarHBondContact CG-OE1 3.39Å; R677-E681 WeakPolarHBondContact O-CB 3.17Å; R677-E681 WeakPolarHBondContact O-CG 3.49Å; R677-E681 PolarHBondContact O-N 3.46Å; R677-V711 HydrophobicContact CB-CG1 3.95Å
678R96.5Very high93.8Very high54 Ų5451.7 Ų51.720%0.20427%0.267CS..Hα-helixtrans-55.8-45.6175177.2-165.6177.7-15912.2111.5L562 E563 E600 L674 L675 R682L562-R678 HydrophobicContact CB-CB 4.25Å; L562-R678 HydrophobicContact CD2-CB 4.46Å; E563-R678 IonicContact OE1-CZ 2.93Å; E563-R678 IonicContact OE1-NE 3.48Å; E563-R678 PolarHBondContact OE1-NE 3.34Å; E563-R678 IonicContact OE1-NH2 3.97Å; E563-R678 PolarHBondContact OE1-NH2 3.36Å; E563-R678 IonicContact OE2-NH2 3.45Å; E600-R678 IonicContact OE1-NH1 3.17Å; E600-R678 PolarHBondContact OE1-NH1 3.29Å; L674-R678 WeakPolarHBondContact O-CB 3.32Å; L674-R678 PolarHBondContact O-N 2.72Å; L675-R678 PolarHBondContact O-N 2.76Å; R678-R682 WeakPolarHBondContact O-CB 3.29Å; R678-R682 WeakPolarHBondContact O-CG 3.49Å; R678-R682 PolarHBondContact O-N 3.14Å
679C96.1Very high94Very high17 Ų1750.5 Ų50.512%0.11526%0.261CS..Hα-helixtrans-62-49.2177.3-174.40000111.3L675 I676 R677 E681 R682 Q683 T691 L695L675-C679 PolarHBondContact O-N 3.29Å; I676-C679 PolarHBondContact O-N 3.23Å; R677-C679 VanDerWaalsContact C-N 3.32Å; R677-C679 PolarHBondContact O-N 3.11Å; C679-E681 PolarHBondContact O-N 3.36Å; C679-R682 PolarHBondContact O-N 2.98Å; C679-Q683 WeakPolarHBondContact O-CB 3.38Å; C679-Q683 WeakPolarHBondContact O-CG 3.32Å; C679-Q683 PolarHBondContact O-N 3.48Å; C679-Q683 VanDerWaalsContact O-N 3.13Å; C679-T691 HydrophobicContact CB-CG2 4.45Å; C679-L695 HydrophobicContact CB-CD2 3.75Å; C679-L695 HydrophobicContact CB-CG 4.09Å
680H95.9Very high94.1Very high1 Ų150.6 Ų50.61%0.00526%0.257CS..Hα-helixtrans-59.1-45.4179.5170.866.2000112.9I676 R677 Q683 H685 A686 T691 C718I676-H680 WeakPolarHBondContact O-CB 3.46Å; I676-H680 PolarHBondContact O-N 2.76Å; R677-H680 PolarHBondContact O-N 3.41Å; H680-Q683 PolarHBondContact O-N 3.36Å; H680-H685 AromaticContact CD2-ND1 3.65Å; H680-H685 VanDerWaalsContact CE1-C 3.43Å; H680-H685 WeakPolarHBondContact CE1-CA 3.49Å; H680-H685 AromaticContact CE1-ND1 3.78Å; H680-H685 AromaticContact NE2-CG 3.84Å; H680-H685 AromaticContact NE2-ND1 3.03Å; H680-H685 PolarHBondContact NE2-ND1 3.28Å; H680-H685 WeakPolarHBondContact O-CA 3.42Å; H680-H685 PolarHBondContact O-N 3.08Å; H680-A686 PolarHBondContact CE1-O 3.45Å; H680-A686 PolarHBondContact ND1-O 3.14Å; H680-T691 HydrophobicContact CB-CG2 4.04Å; H680-C718 PolarHBondContact CE1-SG 3.44Å; H680-C718 PolarHBondContact NE2-SG 3.39Å
681E94.6Very high94.2Very high83 Ų8347.5 Ų47.539%0.38824%0.243SC..Hα-helixtrans-68-41.2179.9-71.9169.9179.100112.1R677 C679 Q683 L684R677-E681 WeakPolarHBondContact CD-OE1 3.3Å; R677-E681 HydrophobicContact CG-CG 4.27Å; R677-E681 WeakPolarHBondContact CG-OE1 3.39Å; R677-E681 WeakPolarHBondContact O-CB 3.17Å; R677-E681 WeakPolarHBondContact O-CG 3.49Å; R677-E681 PolarHBondContact O-N 3.46Å; C679-E681 PolarHBondContact O-N 3.36Å; E681-Q683 PolarHBondContact O-N 3.26Å; E681-L684 PolarHBondContact O-N 3.41Å
682R93.2Very high94.3Very high154 Ų15447.6 Ų47.658%0.58124%0.244SC*.Hα-helixtrans-66.2-24176.2-77.4-175.9170.1-158.5-7.1113.5E563 R678 C679 L684E563-R682 IonicContact OE1-CZ 3.57Å; E563-R682 VanDerWaalsContact OE1-CZ 3.3Å; E563-R682 IonicContact OE1-NE 3.2Å; E563-R682 IonicContact OE1-NH1 2.73Å; E563-R682 IonicContact OE1-NH2 2.82Å; E563-R682 PolarHBondContact OE1-NH2 2.83Å; R678-R682 WeakPolarHBondContact O-CB 3.29Å; R678-R682 WeakPolarHBondContact O-CG 3.49Å; R678-R682 PolarHBondContact O-N 3.14Å; C679-R682 PolarHBondContact O-N 2.98Å; R682-L684 VanDerWaalsContact C-N 3.26Å; R682-L684 PolarHBondContact O-N 2.61Å
683Q90.5Very high94.2Very high77 Ų7750.1 Ų50.136%0.3627%0.265SS..THydrogen-bonded Turntrans-9527.7177.1-59.6-60.7-32.500111.9C679 H680 E681 H685 A686 I694C679-Q683 WeakPolarHBondContact O-CB 3.38Å; C679-Q683 WeakPolarHBondContact O-CG 3.32Å; C679-Q683 PolarHBondContact O-N 3.48Å; C679-Q683 VanDerWaalsContact O-N 3.13Å; H680-Q683 PolarHBondContact O-N 3.36Å; E681-Q683 PolarHBondContact O-N 3.26Å; Q683-H685 VanDerWaalsContact C-N 3.3Å; Q683-H685 PolarHBondContact O-N 2.94Å; Q683-A686 HydrophobicContact CB-CB 3.81Å; Q683-A686 WeakPolarHBondContact O-CB 3.21Å; Q683-A686 PolarHBondContact O-N 3.24Å; Q683-I694 HydrophobicContact CB-CD1 4.43Å; Q683-I694 HydrophobicContact CG-CD1 3.54Å; Q683-I694 VanDerWaalsContact OE1-CD1 3.28Å
684L91.3Very high94.2Very high157 Ų15750.6 Ų50.682%0.82227%0.267SS*.THydrogen-bonded Turntrans52.746.1176.6-57177.5000112.7E681 R682 A686E681-L684 PolarHBondContact O-N 3.41Å; R682-L684 VanDerWaalsContact C-N 3.26Å; R682-L684 PolarHBondContact O-N 2.61Å; L684-A686 VanDerWaalsContact C-N 3.3Å; L684-A686 PolarHBondContact O-N 3.17Å
685H91.6Very high94.2Very high64 Ų6450.8 Ų50.830%0.29627%0.268SS..THydrogen-bonded Turntrans60.435.1-178.3-61.4-77.1000114.5H680 Q683 C715H680-H685 AromaticContact CD2-ND1 3.65Å; H680-H685 VanDerWaalsContact CE1-C 3.43Å; H680-H685 WeakPolarHBondContact CE1-CA 3.49Å; H680-H685 AromaticContact CE1-ND1 3.78Å; H680-H685 AromaticContact NE2-CG 3.84Å; H680-H685 AromaticContact NE2-ND1 3.03Å; H680-H685 PolarHBondContact NE2-ND1 3.28Å; H680-H685 WeakPolarHBondContact O-CA 3.42Å; H680-H685 PolarHBondContact O-N 3.08Å; Q683-H685 VanDerWaalsContact C-N 3.3Å; Q683-H685 PolarHBondContact O-N 2.94Å; H685-C715 VanDerWaalsContact CE1-SG 3.54Å; H685-C715 PolarHBondContact ND1-SG 2.77Å; H685-C715 VanDerWaalsContact ND1-SG 3.44Å
686A86.3Confident94Very high23 Ų2355.7 Ų55.719%0.1929%0.286CS..  trans-49.7147.4173.700000112.6H680 Q683 L684 A690 T691H680-A686 PolarHBondContact CE1-O 3.45Å; H680-A686 PolarHBondContact ND1-O 3.14Å; Q683-A686 HydrophobicContact CB-CB 3.81Å; Q683-A686 WeakPolarHBondContact O-CB 3.21Å; Q683-A686 PolarHBondContact O-N 3.24Å; L684-A686 VanDerWaalsContact C-N 3.3Å; L684-A686 PolarHBondContact O-N 3.17Å; A686-A690 HydrophobicContact CB-CB 3.95Å; A686-T691 PolarHBondContact O-OG1 3.04Å
687G89.8Confident93.8Very high45 Ų4561 Ų6146%0.46431%0.31SS..  trans-62175.1178.200000113.4E689 A690 T691G687-E689 PolarHBondContact O-N 2.79Å; G687-A690 PolarHBondContact O-N 3.16Å; G687-T691 WeakPolarHBondContact O-CB 3.48Å; G687-T691 PolarHBondContact O-N 3.31Å; G687-T691 PolarHBondContact O-OG1 2.87Å
688V94.6Very high93.7Very high33 Ų3360 Ų6020%0.231%0.307CS..Hα-helixtrans-57.1-48.2-173.9177.20000112.3L692 R705 V708 K709 V712V688-L692 VanDerWaalsContact O-CB 3.27Å; V688-L692 WeakPolarHBondContact O-CB 3.42Å; V688-L692 PolarHBondContact O-N 3.28Å; V688-R705 HydrophobicContact CG1-CG 4.25Å; V688-V708 HydrophobicContact CB-CG1 4.45Å; V688-V708 HydrophobicContact CG1-CB 4.32Å; V688-V708 HydrophobicContact CG1-CG1 3.99Å; V688-K709 HydrophobicContact CG1-CB 4.13Å; V688-K709 HydrophobicContact CG2-CB 4.11Å; V688-K709 HydrophobicContact CG2-CG 4.26Å; V688-V712 HydrophobicContact CG2-CB 4.29Å; V688-V712 HydrophobicContact CG2-CG1 4.42Å; V688-V712 HydrophobicContact CG2-CG2 4.38Å
689E95.4Very high93.7Very high95 Ų9558 Ų5844%0.44430%0.3SS..Hα-helixtrans-69.1-40.8-175.2-56.5-56155.100112.2G687 L692 A693 R705G687-E689 PolarHBondContact O-N 2.79Å; E689-L692 PolarHBondContact O-N 3.01Å; E689-A693 WeakPolarHBondContact O-CB 3.5Å; E689-A693 PolarHBondContact O-N 3.46Å; E689-R705 IonicContact OE1-CZ 2.8Å; E689-R705 IonicContact OE1-NE 2.68Å; E689-R705 PolarHBondContact OE1-NE 3.43Å; E689-R705 IonicContact OE1-NH2 2.75Å; E689-R705 PolarHBondContact OE1-NH2 3.47Å; E689-R705 IonicContact OE2-NE 3.19Å
690A92.9Very high93.7Very high48 Ų4861.3 Ų61.340%0.39731%0.31SS..Hα-helixtrans-66.5-44.1177.500000111.8A686 G687 L692 A693 I694A686-A690 HydrophobicContact CB-CB 3.95Å; G687-A690 PolarHBondContact O-N 3.16Å; A690-L692 VanDerWaalsContact C-N 3.31Å; A690-L692 PolarHBondContact O-N 3.31Å; A690-A693 PolarHBondContact O-N 3.2Å; A690-I694 WeakPolarHBondContact O-CG1 3.34Å; A690-I694 PolarHBondContact O-N 3.23Å; A690-I694 VanDerWaalsContact O-N 3.16Å
691T94.8Very high93.8Very high0 Ų061.8 Ų61.80%031%0.312CS..Hα-helixtrans-60.1-43.4174.4-57.30000111.1C679 H680 A686 G687 I694 L695 V708C679-T691 HydrophobicContact CB-CG2 4.45Å; H680-T691 HydrophobicContact CB-CG2 4.04Å; A686-T691 PolarHBondContact O-OG1 3.04Å; G687-T691 WeakPolarHBondContact O-CB 3.48Å; G687-T691 PolarHBondContact O-N 3.31Å; G687-T691 PolarHBondContact O-OG1 2.87Å; T691-I694 PolarHBondContact O-N 3Å; T691-L695 HydrophobicContact CG2-CD1 4.11Å; T691-L695 WeakPolarHBondContact O-CG 3.22Å; T691-L695 PolarHBondContact O-N 2.98Å; T691-V708 HydrophobicContact CG2-CG1 3.79Å
692L97.1Very high93.9Very high7 Ų759 Ų594%0.03730%0.3CS..Hα-helixtrans-65.1-40.9178.4-178.963.8000112.4V688 E689 A690 I694 L695 R696 R705 V708V688-L692 VanDerWaalsContact O-CB 3.27Å; V688-L692 WeakPolarHBondContact O-CB 3.42Å; V688-L692 PolarHBondContact O-N 3.28Å; E689-L692 PolarHBondContact O-N 3.01Å; A690-L692 VanDerWaalsContact C-N 3.31Å; A690-L692 PolarHBondContact O-N 3.31Å; L692-I694 VanDerWaalsContact C-N 3.33Å; L692-I694 PolarHBondContact O-N 3.42Å; L692-L695 PolarHBondContact O-N 3.05Å; L692-R696 WeakPolarHBondContact O-CG 3.36Å; L692-R696 PolarHBondContact O-N 3.27Å; L692-R705 HydrophobicContact CD2-CB 3.82Å; L692-R705 HydrophobicContact CD2-CG 4.17Å; L692-V708 HydrophobicContact CD1-CG2 4.22Å
693A94.8Very high94Very high54 Ų5458 Ų5845%0.44630%0.3SS..Hα-helixtrans-61.8-41.3178.500000111.9E689 A690 R696E689-A693 WeakPolarHBondContact O-CB 3.5Å; E689-A693 PolarHBondContact O-N 3.46Å; A690-A693 PolarHBondContact O-N 3.2Å; A693-R696 PolarHBondContact O-N 3.46Å
694I95Very high94.2Very high53 Ų5354.7 Ų54.727%0.27229%0.286SS..Hα-helixtrans-70.3-41178.2-66.6176.6000111Q683 A690 T691 L692 R696 Q697Q683-I694 HydrophobicContact CB-CD1 4.43Å; Q683-I694 HydrophobicContact CG-CD1 3.54Å; Q683-I694 VanDerWaalsContact OE1-CD1 3.28Å; A690-I694 WeakPolarHBondContact O-CG1 3.34Å; A690-I694 PolarHBondContact O-N 3.23Å; A690-I694 VanDerWaalsContact O-N 3.16Å; T691-I694 PolarHBondContact O-N 3Å; L692-I694 VanDerWaalsContact C-N 3.33Å; L692-I694 PolarHBondContact O-N 3.42Å; I694-R696 VanDerWaalsContact C-N 3.28Å; I694-R696 PolarHBondContact O-N 3.35Å; I694-Q697 WeakPolarHBondContact O-CB 3.07Å; I694-Q697 PolarHBondContact O-N 2.69Å; I694-Q697 VanDerWaalsContact O-N 3.16Å
695L96.3Very high94.4Very high7 Ų754.7 Ų54.74%0.03728%0.276CS..Hα-helixtrans-58.2-40.6173.4-74.5167.3000112L675 I676 C679 T691 L692 Q697 R698 F699 I701 V708L675-L695 HydrophobicContact CD2-CD2 3.47Å; L675-L695 VanDerWaalsContact CD2-CD2 3.47Å; I676-L695 HydrophobicContact CB-CD1 4.43Å; I676-L695 HydrophobicContact CG1-CD1 3.9Å; I676-L695 HydrophobicContact CG2-CD1 4.32Å; C679-L695 HydrophobicContact CB-CD2 3.75Å; C679-L695 HydrophobicContact CB-CG 4.09Å; T691-L695 HydrophobicContact CG2-CD1 4.11Å; T691-L695 WeakPolarHBondContact O-CG 3.22Å; T691-L695 PolarHBondContact O-N 2.98Å; L692-L695 PolarHBondContact O-N 3.05Å; L695-Q697 PolarHBondContact O-N 2.98Å; L695-Q697 VanDerWaalsContact O-N 3.09Å; L695-R698 PolarHBondContact O-N 3.42Å; L695-R698 VanDerWaalsContact O-N 3.07Å; L695-F699 HydrophobicContact CD2-CD2 4.32Å; L695-F699 PolarHBondContact O-N 2.8Å; L695-I701 HydrophobicContact CD1-CD1 4.2Å; L695-V708 HydrophobicContact CD1-CG2 3.68Å
696R94.3Very high94.7Very high109 Ų10954.9 Ų54.941%0.41128%0.284SS..THydrogen-bonded Turntrans-64.9-8.3178.8-79.2177.5171.2150.9-4115.1Q662 L692 A693 I694 R698 F699Q662-R696 WeakPolarHBondContact CG-O 3.5Å; Q662-R696 PolarHBondContact NE2-O 3.36Å; L692-R696 WeakPolarHBondContact O-CG 3.36Å; L692-R696 PolarHBondContact O-N 3.27Å; A693-R696 PolarHBondContact O-N 3.46Å; I694-R696 VanDerWaalsContact C-N 3.28Å; I694-R696 PolarHBondContact O-N 3.35Å; R696-R698 VanDerWaalsContact C-N 3.28Å; R696-F699 WeakPolarHBondContact CA-O 3.28Å
697Q92.6Very high95.2Very high110 Ų11053.9 Ų53.951%0.51428%0.276SS..THydrogen-bonded Turntrans-73.7-20.2171.3-62.51791.800112.8E658 S659 I694 L695E658-Q697 CarbonylContact C-O 3.53Å; E658-Q697 VanDerWaalsContact C-O 3.31Å; S659-Q697 WeakPolarHBondContact CA-O 3.28Å; S659-Q697 WeakPolarHBondContact CB-O 3.46Å; S659-Q697 PolarHBondContact N-O 3.02Å; S659-Q697 PolarHBondContact OG-O 2.88Å; I694-Q697 WeakPolarHBondContact O-CB 3.07Å; I694-Q697 PolarHBondContact O-N 2.69Å; I694-Q697 VanDerWaalsContact O-N 3.16Å; L695-Q697 PolarHBondContact O-N 2.98Å; L695-Q697 VanDerWaalsContact O-N 3.09Å
698R94.4Very high95.6Very high68 Ų6851.8 Ų51.826%0.25725%0.254SS..THydrogen-bonded Turntrans-133.1-29.2178.3-73.4-177.375-148.62.2114.1E600 E658 Q662 I663 L695 R696E600-R698 IonicContact OE1-NH1 3.5Å; E600-R698 IonicContact OE2-CZ 3.95Å; E600-R698 IonicContact OE2-NH1 3.58Å; E600-R698 PolarHBondContact OE2-NH1 3.1Å; E600-R698 VanDerWaalsContact OE2-NH1 3.14Å; E600-R698 IonicContact OE2-NH2 2.86Å; E600-R698 PolarHBondContact OE2-NH2 3.14Å; E658-R698 HydrophobicContact CB-CG 4.03Å; E658-R698 IonicContact OE1-CZ 3.62Å; E658-R698 IonicContact OE1-NE 3.28Å; E658-R698 PolarHBondContact OE1-NE 3.19Å; E658-R698 IonicContact OE1-NH2 3.5Å; E658-R698 PolarHBondContact OE1-NH2 3.23Å; E658-R698 WeakPolarHBondContact OE2-CD 3.49Å; E658-R698 VanDerWaalsContact OE2-CG 3.28Å; E658-R698 WeakPolarHBondContact OE2-CG 3.3Å; E658-R698 IonicContact OE2-CZ 2.66Å; E658-R698 IonicContact OE2-NE 3Å; E658-R698 PolarHBondContact OE2-NE 3.26Å; Q662-R698 WeakPolarHBondContact CA-O 3.39Å; I663-R698 PolarHBondContact N-O 3.12Å; L695-R698 PolarHBondContact O-N 3.42Å; L695-R698 VanDerWaalsContact O-N 3.07Å; R696-R698 VanDerWaalsContact C-N 3.28Å
699F97Very high95.7Very high14 Ų1456.7 Ų56.76%0.06127%0.272CS..EExtended strand (participates in β ladder)trans-128.5136.9-168.2-54.4-70.1000112.2L604 I663 L665 L675 L695 R696 I701L604-F699 HydrophobicContact CD1-CE1 4.22Å; L604-F699 HydrophobicContact CD2-CD1 4.43Å; L604-F699 HydrophobicContact CD2-CE1 3.81Å; I663-F699 HydrophobicContact CB-CD1 4Å; I663-F699 HydrophobicContact CB-CE1 4.41Å; I663-F699 HydrophobicContact CD1-CD1 4.43Å; I663-F699 HydrophobicContact CD1-CE1 4.03Å; I663-F699 HydrophobicContact CG2-CD1 4.45Å; I663-F699 CarbonylContact O-C 3.51Å; I663-F699 WeakPolarHBondContact O-CA 3.37Å; L665-F699 HydrophobicContact CD1-CB 4.29Å; L665-F699 HydrophobicContact CD1-CD1 3.66Å; L665-F699 HydrophobicContact CD1-CE1 4.31Å; L665-F699 HydrophobicContact CD1-CG 4.13Å; L665-F699 HydrophobicContact CG-CD1 4.4Å; L675-F699 HydrophobicContact CD1-CD2 4.37Å; L675-F699 HydrophobicContact CD1-CE1 4.18Å; L675-F699 HydrophobicContact CD1-CE2 3.94Å; L675-F699 HydrophobicContact CD1-CZ 3.85Å; L675-F699 HydrophobicContact CD2-CD2 3.93Å; L675-F699 HydrophobicContact CD2-CE2 4.12Å; L675-F699 HydrophobicContact CD2-CG 4.44Å; L675-F699 HydrophobicContact CG-CE2 4.4Å; L695-F699 HydrophobicContact CD2-CD2 4.32Å; L695-F699 PolarHBondContact O-N 2.8Å; R696-F699 WeakPolarHBondContact CA-O 3.28Å; F699-I701 HydrophobicContact CB-CG1 4.32Å
700W96.3Very high95.8Very high85 Ų8557.3 Ų57.332%0.32227%0.271SS..EExtended strand (participates in β ladder)trans-109.992.8166.6-169.8-89.6000110L634 I646 Q662 I663 V664 L665L634-W700 HydrophobicContact CD2-CZ2 4.26Å; I646-W700 HydrophobicContact CD1-CB 3.29Å; I646-W700 HydrophobicContact CD1-CD2 3.33Å; I646-W700 HydrophobicContact CD1-CE3 3.83Å; I646-W700 HydrophobicContact CD1-CG 3.1Å; I646-W700 HydrophobicContact CG1-CB 4.12Å; I646-W700 HydrophobicContact CG1-CG 4.32Å; Q662-W700 HydrophobicContact CB-CB 4Å; I663-W700 PolarHBondContact O-N 2.87Å; V664-W700 WeakPolarHBondContact CA-O 3.48Å; L665-W700 PolarHBondContact N-O 2.84Å
701I97.7Very high95.9Very high12 Ų1255.6 Ų55.66%0.06226%0.255CS..EExtended strand (participates in β ladder)trans-81.1121.1177.7-54.9176000107.8L665 P666 V672 L675 I676 L695 F699 G704L665-I701 HydrophobicContact CB-CG1 4.25Å; L665-I701 HydrophobicContact CD1-CG1 4.5Å; L665-I701 WeakPolarHBondContact O-CA 2.97Å; P666-I701 WeakPolarHBondContact O-CG2 3.13Å; V672-I701 HydrophobicContact CG1-CD1 4.04Å; V672-I701 HydrophobicContact CG1-CG1 4.42Å; V672-I701 HydrophobicContact CG1-CG2 3.87Å; L675-I701 HydrophobicContact CD2-CD1 4.35Å; I676-I701 HydrophobicContact CD1-CD1 3.81Å; I676-I701 HydrophobicContact CG1-CD1 3.63Å; L695-I701 HydrophobicContact CD1-CD1 4.2Å; F699-I701 HydrophobicContact CB-CG1 4.32Å; I701-G704 WeakPolarHBondContact O-CA 3.49Å; I701-G704 PolarHBondContact O-N 3.24Å
702L95.7Very high95.9Very high24 Ų2456.5 Ų56.513%0.12626%0.26CS..THydrogen-bonded Turntrans-54.6142.8172.8-62.9-175.4000109.5F612 L631 L634 L665 H667 G704F612-L702 HydrophobicContact CE1-CD1 3.79Å; F612-L702 HydrophobicContact CZ-CD1 3.77Å; F612-L702 HydrophobicContact CZ-CG 4.4Å; L631-L702 HydrophobicContact CD2-CD1 3.96Å; L631-L702 HydrophobicContact CD2-CD2 4.07Å; L631-L702 HydrophobicContact CD2-CG 4.46Å; L634-L702 HydrophobicContact CD1-CD2 4Å; L665-L702 PolarHBondContact O-N 2.68Å; H667-L702 HydrophobicContact CB-CB 4.45Å; H667-L702 WeakPolarHBondContact CB-O 3.33Å; L702-G704 PolarHBondContact O-N 2.79Å
703K95.2Very high95.7Very high132 Ų13265.4 Ų65.457%0.57429%0.294SS*.THydrogen-bonded Turntrans47.232-172.5-55-172-169.1163.40113.3H667 R705 S706 T707H667-K703 HydrophobicContact CB-CB 4.09Å; H667-K703 PolarHBondContact NE2-NZ 3.49Å; H667-K703 VanDerWaalsContact NE2-NZ 3.13Å; K703-R705 VanDerWaalsContact C-N 3.32Å; K703-R705 PolarHBondContact O-N 3.49Å; K703-R705 VanDerWaalsContact O-N 3.16Å; K703-S706 WeakPolarHBondContact CB-OG 3.06Å; K703-S706 PolarHBondContact O-N 3.42Å; K703-S706 VanDerWaalsContact O-N 3.08Å; K703-S706 PolarHBondContact O-OG 3.06Å; K703-T707 PolarHBondContact O-N 2.85Å; K703-T707 VanDerWaalsContact O-N 3.12Å; K703-T707 PolarHBondContact O-OG1 2.93Å
704G94.5Very high95.6Very high8 Ų866.6 Ų66.68%0.08229%0.292CS..Hα-helixtrans-54.1-43.1-165.400000114.1I701 L702 S706 T707 V708I701-G704 WeakPolarHBondContact O-CA 3.49Å; I701-G704 PolarHBondContact O-N 3.24Å; L702-G704 PolarHBondContact O-N 2.79Å; G704-S706 PolarHBondContact O-N 3.49Å; G704-T707 PolarHBondContact O-N 2.95Å; G704-V708 WeakPolarHBondContact O-CB 3.4Å; G704-V708 VanDerWaalsContact O-CG2 3.25Å; G704-V708 WeakPolarHBondContact O-CG2 3.38Å; G704-V708 PolarHBondContact O-N 2.91Å
705R97.1Very high95.6Very high158 Ų15864.4 Ų64.460%0.59628%0.282SS*.Hα-helixtrans-58.2-48.5178.3-170.3-175.8-173.8-155.32.8112.7V688 E689 L692 K703 T707 V708 K709V688-R705 HydrophobicContact CG1-CG 4.25Å; E689-R705 IonicContact OE1-CZ 2.8Å; E689-R705 IonicContact OE1-NE 2.68Å; E689-R705 PolarHBondContact OE1-NE 3.43Å; E689-R705 IonicContact OE1-NH2 2.75Å; E689-R705 PolarHBondContact OE1-NH2 3.47Å; E689-R705 IonicContact OE2-NE 3.19Å; L692-R705 HydrophobicContact CD2-CB 3.82Å; L692-R705 HydrophobicContact CD2-CG 4.17Å; K703-R705 VanDerWaalsContact C-N 3.32Å; K703-R705 PolarHBondContact O-N 3.49Å; K703-R705 VanDerWaalsContact O-N 3.16Å; R705-T707 VanDerWaalsContact C-N 3.34Å; R705-V708 PolarHBondContact O-N 2.96Å; R705-K709 WeakPolarHBondContact O-CB 3.36Å; R705-K709 PolarHBondContact O-N 3.43Å
706S97.4Very high95.2Very high68 Ų6866.7 Ų66.748%0.47630%0.302SS..Hα-helixtrans-66-37.4178.239.90000112.2K703 G704 K709 R710K703-S706 WeakPolarHBondContact CB-OG 3.06Å; K703-S706 PolarHBondContact O-N 3.42Å; K703-S706 VanDerWaalsContact O-N 3.08Å; K703-S706 PolarHBondContact O-OG 3.06Å; G704-S706 PolarHBondContact O-N 3.49Å; S706-K709 PolarHBondContact O-N 3.03Å; S706-R710 WeakPolarHBondContact O-CB 3.31Å; S706-R710 PolarHBondContact O-N 3.22Å
707T97.3Very high95Very high2 Ų263.7 Ų63.71%0.01230%0.296CS..Hα-helixtrans-67.3-44.1177.9-48.30000111.3H667 L673 I676 K703 G704 R705 R710 V711H667-T707 WeakPolarHBondContact O-CG2 3.32Å; L673-T707 HydrophobicContact CD2-CG2 3.99Å; I676-T707 HydrophobicContact CD1-CG2 3.44Å; I676-T707 VanDerWaalsContact CD1-CG2 3.44Å; K703-T707 PolarHBondContact O-N 2.85Å; K703-T707 VanDerWaalsContact O-N 3.12Å; K703-T707 PolarHBondContact O-OG1 2.93Å; G704-T707 PolarHBondContact O-N 2.95Å; R705-T707 VanDerWaalsContact C-N 3.34Å; T707-R710 WeakPolarHBondContact O-CB 3.41Å; T707-R710 PolarHBondContact O-N 2.98Å; T707-V711 WeakPolarHBondContact O-CG2 3.29Å; T707-V711 PolarHBondContact O-N 2.87Å
708V97.9Very high94.7Very high0 Ų059.3 Ų59.30%028%0.277CS..Hα-helixtrans-61.6-47.3173.8175.10000110.6I676 V688 T691 L692 L695 G704 R705 R710 V711 V712I676-V708 HydrophobicContact CD1-CG2 4.28Å; I676-V708 HydrophobicContact CG1-CG2 4.4Å; I676-V708 HydrophobicContact CG2-CB 4.34Å; I676-V708 HydrophobicContact CG2-CG1 4.42Å; I676-V708 HydrophobicContact CG2-CG2 3.94Å; V688-V708 HydrophobicContact CB-CG1 4.45Å; V688-V708 HydrophobicContact CG1-CB 4.32Å; V688-V708 HydrophobicContact CG1-CG1 3.99Å; T691-V708 HydrophobicContact CG2-CG1 3.79Å; L692-V708 HydrophobicContact CD1-CG2 4.22Å; L695-V708 HydrophobicContact CD1-CG2 3.68Å; G704-V708 WeakPolarHBondContact O-CB 3.4Å; G704-V708 VanDerWaalsContact O-CG2 3.25Å; G704-V708 WeakPolarHBondContact O-CG2 3.38Å; G704-V708 PolarHBondContact O-N 2.91Å; R705-V708 PolarHBondContact O-N 2.96Å; V708-R710 VanDerWaalsContact C-N 3.26Å; V708-R710 PolarHBondContact O-N 2.79Å; V708-V711 PolarHBondContact O-N 2.93Å; V708-V711 VanDerWaalsContact O-N 3.11Å; V708-V712 HydrophobicContact CG1-CG2 4.1Å; V708-V712 WeakPolarHBondContact O-CG2 3.49Å; V708-V712 PolarHBondContact O-N 3.19Å
709K97.2Very high94.4Very high137 Ų13763 Ų6360%0.59629%0.29SS*.Hα-helixtrans-55.4-41.7176-173177.5-177-1800111.9V688 R705 S706 R713V688-K709 HydrophobicContact CG1-CB 4.13Å; V688-K709 HydrophobicContact CG2-CB 4.11Å; V688-K709 HydrophobicContact CG2-CG 4.26Å; R705-K709 WeakPolarHBondContact O-CB 3.36Å; R705-K709 PolarHBondContact O-N 3.43Å; S706-K709 PolarHBondContact O-N 3.03Å; K709-R713 WeakPolarHBondContact O-CB 3.31Å; K709-R713 PolarHBondContact O-N 3.48Å
710R96.1Very high93.5Very high108 Ų10869 Ų6941%0.40831%0.313SS..Hα-helixtrans-61.6-47.5175.6179.1172.865-175.8-2.6111.8H667 S706 T707 V708 N714H667-R710 PolarHBondContact O-NH2 3.3Å; S706-R710 WeakPolarHBondContact O-CB 3.31Å; S706-R710 PolarHBondContact O-N 3.22Å; T707-R710 WeakPolarHBondContact O-CB 3.41Å; T707-R710 PolarHBondContact O-N 2.98Å; V708-R710 VanDerWaalsContact C-N 3.26Å; V708-R710 PolarHBondContact O-N 2.79Å; R710-N714 WeakPolarHBondContact O-CB 3.36Å; R710-N714 PolarHBondContact O-N 2.64Å; R710-N714 VanDerWaalsContact O-N 3.13Å; R710-N714 PolarHBondContact O-ND2 3.25Å
711V96.1Very high92.6Very high12 Ų1270.5 Ų70.57%0.07333%0.331CS..Hα-helixtrans-64.8-45.5179.6175.10000111.5L673 I676 R677 T707 V708 N714 C715L673-V711 HydrophobicContact CB-CG2 4.49Å; L673-V711 HydrophobicContact CD2-CG2 3.79Å; I676-V711 HydrophobicContact CB-CB 4.44Å; I676-V711 HydrophobicContact CB-CG1 4.4Å; I676-V711 HydrophobicContact CB-CG2 4.11Å; I676-V711 HydrophobicContact CD1-CG2 4.4Å; I676-V711 HydrophobicContact CG2-CB 3.69Å; I676-V711 HydrophobicContact CG2-CG1 3.81Å; I676-V711 HydrophobicContact CG2-CG2 3.83Å; R677-V711 HydrophobicContact CB-CG1 3.95Å; T707-V711 WeakPolarHBondContact O-CG2 3.29Å; T707-V711 PolarHBondContact O-N 2.87Å; V708-V711 PolarHBondContact O-N 2.93Å; V708-V711 VanDerWaalsContact O-N 3.11Å; V711-N714 CarbonylContact O-C 3.49Å; V711-N714 PolarHBondContact O-N 2.91Å; V711-C715 PolarHBondContact O-N 2.7Å
712V94.6Very high91.6Very high18 Ų1874.9 Ų74.911%0.10936%0.361CS..Hα-helixtrans-64.1-44.2178.5175.50000111.2V688 V708 N714 C715 C718V688-V712 HydrophobicContact CG2-CB 4.29Å; V688-V712 HydrophobicContact CG2-CG1 4.42Å; V688-V712 HydrophobicContact CG2-CG2 4.38Å; V708-V712 HydrophobicContact CG1-CG2 4.1Å; V708-V712 WeakPolarHBondContact O-CG2 3.49Å; V708-V712 PolarHBondContact O-N 3.19Å; V712-N714 PolarHBondContact O-N 2.93Å; V712-C715 VanDerWaalsContact O-CB 3.25Å; V712-C715 WeakPolarHBondContact O-CB 3.26Å; V712-C715 PolarHBondContact O-N 2.87Å; V712-C718 HydrophobicContact CG1-CB 4.49Å
713R92.8Very high90.6Very high195 Ų19577.4 Ų77.474%0.73638%0.381SS*.Hα-helixtrans-59.5-33.4176.1-176.8179.9-179.4-174.70.8112.4K709 R719K709-R713 WeakPolarHBondContact O-CB 3.31Å; K709-R713 PolarHBondContact O-N 3.48Å; R713-R719 VanDerWaalsContact O-CD 3.3Å; R713-R719 WeakPolarHBondContact O-CD 3.31Å; R713-R719 WeakPolarHBondContact O-CG 3.39Å
714N92.2Very high89.4Confident78 Ų7881.5 Ų81.542%0.41739%0.393SS..Hα-helixtrans-88.9-4.5179.1-70-19000113.3R710 V711 V712 A716 R719R710-N714 WeakPolarHBondContact O-CB 3.36Å; R710-N714 PolarHBondContact O-N 2.64Å; R710-N714 VanDerWaalsContact O-N 3.13Å; R710-N714 PolarHBondContact O-ND2 3.25Å; V711-N714 CarbonylContact O-C 3.49Å; V711-N714 PolarHBondContact O-N 2.91Å; V712-N714 PolarHBondContact O-N 2.93Å; N714-A716 PolarHBondContact O-N 2.94Å; N714-R719 PolarHBondContact O-NE 2.9Å; N714-R719 PolarHBondContact O-NH2 2.83Å
715C94.2Very high88Confident7 Ų786.5 Ų86.55%0.04742%0.424CS..  trans-65.2125.7174.8-179.10000110H685 V711 V712 V717 C718 R719H685-C715 VanDerWaalsContact CE1-SG 3.54Å; H685-C715 PolarHBondContact ND1-SG 2.77Å; H685-C715 VanDerWaalsContact ND1-SG 3.44Å; V711-C715 PolarHBondContact O-N 2.7Å; V712-C715 VanDerWaalsContact O-CB 3.25Å; V712-C715 WeakPolarHBondContact O-CB 3.26Å; V712-C715 PolarHBondContact O-N 2.87Å; C715-V717 VanDerWaalsContact C-N 3.31Å; C715-V717 PolarHBondContact O-N 3.35Å; C715-C718 HydrophobicContact CB-CB 3.97Å; C715-C718 PolarHBondContact O-N 3.03Å; C715-R719 WeakPolarHBondContact O-CB 3.39Å; C715-R719 WeakPolarHBondContact O-CG 3.29Å; C715-R719 PolarHBondContact O-N 2.77Å
716A89Confident86.4Confident55 Ų5587.9 Ų87.946%0.45544%0.435SS..Hα-helixtrans-64.4-37-179.400000112N714 R720N714-A716 PolarHBondContact O-N 2.94Å; A716-R720 WeakPolarHBondContact O-CB 3.43Å; A716-R720 VanDerWaalsContact O-CG 3.23Å; A716-R720 WeakPolarHBondContact O-CG 3.19Å; A716-R720 PolarHBondContact O-N 3.03Å; A716-R720 PolarHBondContact O-NE 2.91Å
717V88.7Confident84.5Confident47 Ų4792.5 Ų92.529%0.28545%0.449SS..Hα-helixtrans-64.8-50.8175.8-176.90000110.2C715 R719 R720 V721C715-V717 VanDerWaalsContact C-N 3.31Å; C715-V717 PolarHBondContact O-N 3.35Å; V717-R719 PolarHBondContact O-N 3.49Å; V717-R720 PolarHBondContact O-N 2.86Å; V717-V721 HydrophobicContact CG1-CG2 4.38Å; V717-V721 WeakPolarHBondContact O-CG2 3.2Å; V717-V721 PolarHBondContact O-N 3.25Å
718C87.7Confident82.9Confident17 Ų17100.2 Ų100.212%0.11549%0.485CS..Hα-helixtrans-63.7-37.9178.1-61.10000113.1H680 V712 C715 R720 V721 C722H680-C718 PolarHBondContact CE1-SG 3.44Å; H680-C718 PolarHBondContact NE2-SG 3.39Å; V712-C718 HydrophobicContact CG1-CB 4.49Å; C715-C718 HydrophobicContact CB-CB 3.97Å; C715-C718 PolarHBondContact O-N 3.03Å; C718-R720 VanDerWaalsContact C-N 3.3Å; C718-R720 PolarHBondContact O-N 2.94Å; C718-V721 PolarHBondContact O-N 3.34Å; C718-C722 VanDerWaalsContact O-CB 3.23Å; C718-C722 WeakPolarHBondContact O-CB 3.45Å; C718-C722 PolarHBondContact O-N 3.35Å; C718-C722 PolarHBondContact O-SG 3.23Å; C718-C722 VanDerWaalsContact O-SG 3.36Å
719R87.4Confident81.1Confident145 Ų145110.1 Ų110.155%0.54753%0.528SS..Hα-helixtrans-62-39.2175-80.8-170.1-83.1173.7-7.3112.3R713 N714 C715 V717 S723R713-R719 VanDerWaalsContact O-CD 3.3Å; R713-R719 WeakPolarHBondContact O-CD 3.31Å; R713-R719 WeakPolarHBondContact O-CG 3.39Å; N714-R719 PolarHBondContact O-NE 2.9Å; N714-R719 PolarHBondContact O-NH2 2.83Å; C715-R719 WeakPolarHBondContact O-CB 3.39Å; C715-R719 WeakPolarHBondContact O-CG 3.29Å; C715-R719 PolarHBondContact O-N 2.77Å; V717-R719 PolarHBondContact O-N 3.49Å; R719-S723 PolarHBondContact O-N 2.84Å; R719-S723 VanDerWaalsContact O-N 3.14Å
720R77.9Confident79.6Confident141 Ų141111.2 Ų111.253%0.53254%0.537SS..Hα-helixtrans-69.6-40.9176.2-73.9-179.2-66.2-178.52.6112.2A716 V717 C718 S723A716-R720 WeakPolarHBondContact O-CB 3.43Å; A716-R720 VanDerWaalsContact O-CG 3.23Å; A716-R720 WeakPolarHBondContact O-CG 3.19Å; A716-R720 PolarHBondContact O-N 3.03Å; A716-R720 PolarHBondContact O-NE 2.91Å; V717-R720 PolarHBondContact O-N 2.86Å; C718-R720 VanDerWaalsContact C-N 3.3Å; C718-R720 PolarHBondContact O-N 2.94Å; R720-S723 PolarHBondContact O-OG 2.99Å
721V77.6Confident78.5Confident116 Ų116109.8 Ų109.870%0.70355%0.548SS*.Hα-helixtrans-73.6-36.1-179.5173.10000112V717 C718V717-V721 HydrophobicContact CG1-CG2 4.38Å; V717-V721 WeakPolarHBondContact O-CG2 3.2Å; V717-V721 PolarHBondContact O-N 3.25Å; C718-V721 PolarHBondContact O-N 3.34Å
722C77.2Confident77.7Confident104 Ų104115.2 Ų115.270%0.70358%0.584SS**THydrogen-bonded Turntrans-93.98.5-179.2-58.90000113.4C718C718-C722 VanDerWaalsContact O-CB 3.23Å; C718-C722 WeakPolarHBondContact O-CB 3.45Å; C718-C722 PolarHBondContact O-N 3.35Å; C718-C722 PolarHBondContact O-SG 3.23Å; C718-C722 VanDerWaalsContact O-SG 3.36Å
723S74.7Confident76.8Confident77 Ų77118.7 Ų118.754%0.53860%0.601SS.*PPolyproline II helixtrans-64.7138.6175.557.30000109.2R719 R720R719-S723 PolarHBondContact O-N 2.84Å; R719-S723 VanDerWaalsContact O-N 3.14Å; R720-S723 PolarHBondContact O-OG 2.99Å
724R69.4Low75.9Confident218 Ų218112.3 Ų112.382%0.82359%0.585SS**PPolyproline II helixtrans-70.3133.8174.7-68.9-174.9179.7-177.1-0.9108.4
725P66.4Low75.3Confident114 Ų114115.3 Ų115.374%0.7460%0.597SS**PPolyproline II helixtrans-59.6149.217224.5-31.5000110E727P725-E727 PolarHBondContact O-N 3.31Å
726F62.7Low74.3Confident187 Ų187115.6 Ų115.682%0.8260%0.6SS**PPolyproline II helixtrans-65.2120.4177.6-177.1-93.1000109.9Q728F726-Q728 HydrophobicContact CD1-CG 4.04Å; F726-Q728 HydrophobicContact CE1-CG 4.22Å; F726-Q728 PolarHBondContact O-N 3.24Å
727E56.9Low73.6Confident165 Ų165117.2 Ų117.277%0.77160%0.595SS**  trans-81107.5179.3-67.5177.7-168.500109.7P725P725-E727 PolarHBondContact O-N 3.31Å
728Q63.2Low73.1Confident163 Ų163119.5 Ų119.576%0.76261%0.609SS**  trans-75.8133.5173.6-66-178.35.400110.3F726 M730F726-Q728 HydrophobicContact CD1-CG 4.04Å; F726-Q728 HydrophobicContact CE1-CG 4.22Å; F726-Q728 PolarHBondContact O-N 3.24Å; Q728-M730 PolarHBondContact O-N 2.84Å
729K60.9Low72.8Confident209 Ų209120.7 Ų120.791%0.90962%0.615SS**  trans-66.6106.1170.6-173.4177.2-178.7179.10108.8
730M66.2Low72.6Confident160 Ų160121.8 Ų121.879%0.78863%0.631SS**PPolyproline II helixtrans-63.9143.1180-70.4-159.862.900111.8Q728Q728-M730 PolarHBondContact O-N 2.84Å
731A72.6Confident73Confident78 Ų78116 Ų11665%0.64561%0.613SS**PPolyproline II helixtrans-61.7152.5173.800000111L733A731-L733 PolarHBondContact O-N 3.45Å
732P78.7Confident73.6Confident126 Ų126119.3 Ų119.382%0.81861%0.614SS**PPolyproline II helixtrans-51.7139.3171.3-23.733.2000111.1
733L75.7Confident74.4Confident91 Ų91118.2 Ų118.248%0.47661%0.606SS.*PPolyproline II helixtrans-66.7137.4175.5-59.6168.6000108.8A731 R737 V738A731-L733 PolarHBondContact O-N 3.45Å; L733-R737 HydrophobicContact CB-CB 4.35Å; L733-R737 VanDerWaalsContact CD2-NH1 3.3Å; L733-V738 HydrophobicContact CB-CG1 4.02Å; L733-V738 HydrophobicContact CD1-CG1 4.23Å
734P74.9Confident75.3Confident61 Ų61115.3 Ų115.340%0.39658%0.583SS.*PPolyproline II helixtrans-62.5151.1177.824.5-31.9000110.5G736 R737P734-G736 PolarHBondContact O-N 3.03Å; P734-G736 VanDerWaalsContact O-N 3.08Å; P734-R737 HydrophobicContact CG-CB 4.35Å; P734-R737 WeakPolarHBondContact O-CB 3.12Å; P734-R737 PolarHBondContact O-N 3.36Å
735E79.3Confident76.4Confident141 Ų141107.8 Ų107.866%0.65956%0.557SS**G310 helixtrans-50.9-39-175.9-175.3-177.7-178.600112.8R737 V738 T739E735-R737 PolarHBondContact O-N 2.75Å; E735-R737 VanDerWaalsContact O-N 3.1Å; E735-V738 WeakPolarHBondContact O-CG2 3.41Å; E735-V738 PolarHBondContact O-N 3.04Å; E735-T739 HydrophobicContact CG-CG2 3.57Å; E735-T739 WeakPolarHBondContact O-CG2 3.2Å; E735-T739 PolarHBondContact O-N 3.28Å; E735-T739 PolarHBondContact O-OG1 2.84Å
736G73.4Confident77.6Confident12 Ų12105.6 Ų105.612%0.12453%0.534CS..G310 helixtrans-65.8-8.517700000116.6P734 R746 M774P734-G736 PolarHBondContact O-N 3.03Å; P734-G736 VanDerWaalsContact O-N 3.08Å; G736-R746 VanDerWaalsContact CA-CD 3.47Å; G736-R746 WeakPolarHBondContact O-CD 3.47Å; G736-M774 WeakPolarHBondContact O-CB 3.27Å
737R75Confident79Confident89 Ų8996.7 Ų96.734%0.33650%0.495SS..G310 helixtrans-96.7-12.4173.8-151.7-173.3-144.6158.812.2113.2L733 P734 E735 R777L733-R737 HydrophobicContact CB-CB 4.35Å; L733-R737 VanDerWaalsContact CD2-NH1 3.3Å; P734-R737 HydrophobicContact CG-CB 4.35Å; P734-R737 WeakPolarHBondContact O-CB 3.12Å; P734-R737 PolarHBondContact O-N 3.36Å; E735-R737 PolarHBondContact O-N 2.75Å; E735-R737 VanDerWaalsContact O-N 3.1Å; R737-R777 VanDerWaalsContact NH2-CZ 3.35Å; R737-R777 VanDerWaalsContact NH2-NH2 3.15Å
738V77Confident80.7Confident96 Ų9689.6 Ų89.658%0.58247%0.466SS*.THydrogen-bonded Turntrans-123-11.7-173.4-63.30000113.4L733 E735L733-V738 HydrophobicContact CB-CG1 4.02Å; L733-V738 HydrophobicContact CD1-CG1 4.23Å; E735-V738 WeakPolarHBondContact O-CG2 3.41Å; E735-V738 PolarHBondContact O-N 3.04Å
739T81.4Confident82.2Confident41 Ų4182.3 Ų82.325%0.25243%0.433SS..SBendtrans-89.2142.1174.7460000111.4E735 A741 R746E735-T739 HydrophobicContact CG-CG2 3.57Å; E735-T739 WeakPolarHBondContact O-CG2 3.2Å; E735-T739 PolarHBondContact O-N 3.28Å; E735-T739 PolarHBondContact O-OG1 2.84Å; T739-A741 PolarHBondContact O-N 3.4Å; T739-R746 VanDerWaalsContact OG1-CZ 3.3Å; T739-R746 PolarHBondContact OG1-NH1 3.14Å; T739-R746 PolarHBondContact OG1-NH2 2.77Å
740I84.3Confident83.7Confident169 Ų16976.6 Ų76.687%0.86741%0.412SS*.  trans-67.5130.8176.7-62.4173.1000108.7
741A86.3Confident84.9Confident19 Ų1970 Ų7016%0.15738%0.379CS..  trans-154.2169.2175.300000109T739 E745 R746 V775T739-A741 PolarHBondContact O-N 3.4Å; A741-E745 HydrophobicContact CB-CB 4.33Å; A741-R746 HydrophobicContact CB-CG 4.47Å; A741-V775 HydrophobicContact CB-CG2 3.8Å; A741-V775 WeakPolarHBondContact O-CG1 3.36Å
742Y90.7Very high85.6Confident186 Ų18668.4 Ų68.473%0.72937%0.366SS*.  trans-69.1154.5177.8-69.6-75.8000111.8F744 E745Y742-F744 PolarHBondContact O-N 3.33Å; Y742-E745 WeakPolarHBondContact CB-OE2 3.07Å; Y742-E745 WeakPolarHBondContact CD2-OE2 3.33Å; Y742-E745 PolarHBondContact N-OE2 3.09Å; Y742-E745 WeakPolarHBondContact O-CB 3.22Å; Y742-E745 PolarHBondContact O-N 3.41Å
743P92.4Very high85.8Confident81 Ų8164.5 Ų64.553%0.52635%0.349SS..THydrogen-bonded Turntrans-52.8132.3174.6-26.435.1000112E745 T776P743-E745 PolarHBondContact O-N 3.05Å; P743-E745 VanDerWaalsContact O-N 3.16Å; P743-T776 HydrophobicContact CB-CG2 4.31Å; P743-T776 HydrophobicContact CG-CG2 4.24Å
744F93.3Very high86.1Confident16 Ų1662.7 Ų62.77%0.0734%0.343CS..THydrogen-bonded Turntrans62.23.9-175.6-63.2-79.5000116.9Y742 R746 T747 C773 A778 H780 F799 R803 P806Y742-F744 PolarHBondContact O-N 3.33Å; F744-R746 VanDerWaalsContact C-N 3.33Å; F744-R746 PolarHBondContact O-N 3.1Å; F744-T747 PolarHBondContact O-OG1 3.5Å; F744-C773 HydrophobicContact CD1-CB 3.76Å; F744-C773 HydrophobicContact CE1-CB 3.82Å; F744-C773 HydrophobicContact CG-CB 4.15Å; F744-C773 HydrophobicContact CZ-CB 4.25Å; F744-C773 PolarHBondContact N-SG 3.4Å; F744-A778 HydrophobicContact CE2-CB 4.23Å; F744-A778 HydrophobicContact CZ-CB 3.87Å; F744-H780 HydrophobicContact CE1-CB 4.13Å; F744-H780 HydrophobicContact CZ-CB 4.27Å; F744-F799 HydrophobicContact CB-CZ 4.08Å; F744-F799 AromaticContact CD1-CE2 3.55Å; F744-F799 HydrophobicContact CD1-CE2 3.55Å; F744-F799 AromaticContact CD1-CZ 3.72Å; F744-F799 HydrophobicContact CD1-CZ 3.72Å; F744-F799 AromaticContact CE1-CE2 3.98Å; F744-F799 HydrophobicContact CE1-CE2 3.98Å; F744-F799 HydrophobicContact CG-CE2 4.18Å; F744-F799 HydrophobicContact CG-CZ 4.19Å; F744-R803 HydrophobicContact CB-CB 4.2Å; F744-R803 HydrophobicContact CD2-CB 4.19Å; F744-R803 HydrophobicContact CD2-CG 4.16Å; F744-R803 HydrophobicContact CE2-CG 4.31Å; F744-R803 HydrophobicContact CG-CB 4.11Å; F744-R803 HydrophobicContact CG-CG 4.29Å; F744-P806 WeakPolarHBondContact O-CB 3.12Å
745E92.4Very high86.5Confident59 Ų5964.2 Ų64.228%0.27635%0.347SS..THydrogen-bonded Turntrans-61.9-42.5174.7-171-172135.500111.7A741 Y742 P743 P806 A807 C808A741-E745 HydrophobicContact CB-CB 4.33Å; Y742-E745 WeakPolarHBondContact CB-OE2 3.07Å; Y742-E745 WeakPolarHBondContact CD2-OE2 3.33Å; Y742-E745 PolarHBondContact N-OE2 3.09Å; Y742-E745 WeakPolarHBondContact O-CB 3.22Å; Y742-E745 PolarHBondContact O-N 3.41Å; P743-E745 PolarHBondContact O-N 3.05Å; P743-E745 VanDerWaalsContact O-N 3.16Å; E745-P806 CarbonylContact O-C 3.55Å; E745-P806 WeakPolarHBondContact O-CA 3.02Å; E745-A807 HydrophobicContact CG-CB 3.73Å; E745-A807 PolarHBondContact O-N 3.32Å; E745-C808 PolarHBondContact O-N 3.09Å; E745-C808 VanDerWaalsContact O-N 3.15Å
746R92.6Very high86.7Confident69 Ų6964.5 Ų64.526%0.2634%0.343SS..EExtended strand (participates in β ladder)trans-109.6116169.4-56.1-172.9-170.1-155.611.6108.8G736 T739 A741 F744 M774G736-R746 VanDerWaalsContact CA-CD 3.47Å; G736-R746 WeakPolarHBondContact O-CD 3.47Å; T739-R746 VanDerWaalsContact OG1-CZ 3.3Å; T739-R746 PolarHBondContact OG1-NH1 3.14Å; T739-R746 PolarHBondContact OG1-NH2 2.77Å; A741-R746 HydrophobicContact CB-CG 4.47Å; F744-R746 VanDerWaalsContact C-N 3.33Å; F744-R746 PolarHBondContact O-N 3.1Å; R746-M774 HydrophobicContact CB-CB 4.11Å; R746-M774 HydrophobicContact CB-CG 4.41Å; R746-M774 HydrophobicContact CB-SD 4.11Å; R746-M774 WeakPolarHBondContact O-CB 3.41Å; R746-M774 PolarHBondContact O-N 3.37Å
747T93Very high87Confident0 Ų067 Ų670%035%0.353CS..EExtended strand (participates in β ladder)trans-128.3131.3-170.6-68.60000110.9F744 F771 T772 F799 C808 I809 Q810F744-T747 PolarHBondContact O-OG1 3.5Å; T747-F771 HydrophobicContact CG2-CB 3.96Å; T747-F771 HydrophobicContact CG2-CD1 4.02Å; T747-T772 CarbonylContact C-O 3.41Å; T747-T772 WeakPolarHBondContact CA-O 3.33Å; T747-F799 HydrophobicContact CG2-CE1 4.34Å; T747-F799 HydrophobicContact CG2-CZ 3.87Å; T747-C808 PolarHBondContact N-O 2.82Å; T747-I809 CarbonylContact O-C 3.56Å; T747-I809 VanDerWaalsContact O-CA 3.23Å; T747-I809 WeakPolarHBondContact O-CA 3.42Å; T747-Q810 PolarHBondContact O-N 3.3Å
748G92.4Very high87.1Confident16 Ų1672.7 Ų72.717%0.16538%0.375CS..EExtended strand (participates in β ladder)trans-88.6145.4165.900000110.1F771 T772 Q810G748-F771 CarbonylContact O-C 3.58Å; G748-F771 WeakPolarHBondContact O-CA 3.33Å; G748-T772 PolarHBondContact N-O 3.34Å; G748-T772 PolarHBondContact O-N 3.05Å; G748-Q810 CarbonylContact C-O 3.42Å; G748-Q810 VanDerWaalsContact CA-O 3.27Å; G748-Q810 WeakPolarHBondContact CA-O 3.16Å
749V93.4Very high86.8Confident9 Ų976.2 Ų76.26%0.05538%0.378CS..EExtended strand (participates in β ladder)trans-130.9139.9175.370.70000111.8C769 V770 F771 F792 I809 Q810 F817V749-C769 WeakPolarHBondContact CG2-SG 3.18Å; V749-V770 WeakPolarHBondContact CA-O 3.44Å; V749-F771 HydrophobicContact CB-CD1 4.05Å; V749-F771 HydrophobicContact CB-CE1 4.16Å; V749-F771 HydrophobicContact CG2-CD1 3.69Å; V749-F771 HydrophobicContact CG2-CE1 3.54Å; V749-F771 HydrophobicContact CG2-CG 4.28Å; V749-F771 HydrophobicContact CG2-CZ 4.01Å; V749-F792 HydrophobicContact CG1-CE2 4.5Å; V749-F792 HydrophobicContact CG1-CZ 4.46Å; V749-F792 HydrophobicContact CG2-CE2 3.93Å; V749-I809 HydrophobicContact CB-CG2 4.08Å; V749-I809 HydrophobicContact CG1-CG2 3.56Å; V749-Q810 PolarHBondContact N-O 3.38Å; V749-F817 HydrophobicContact CG1-CE1 4.26Å; V749-F817 HydrophobicContact CG1-CZ 4.3Å; V749-F817 HydrophobicContact CG2-CE1 4.44Å; V749-F817 HydrophobicContact CG2-CZ 4.49Å
750D92.9Very high86.5Confident90 Ų9077.2 Ų77.248%0.48140%0.396SS..EExtended strand (participates in β ladder)trans-149.6168.6177.7-1648.3000110.9C769 V770D750-C769 CarbonylContact O-C 3.51Å; D750-C769 WeakPolarHBondContact O-CA 3.35Å; D750-V770 PolarHBondContact N-O 3.2Å; D750-V770 VanDerWaalsContact N-O 3.08Å; D750-V770 PolarHBondContact O-N 2.67Å
751F91.1Very high85.9Confident20 Ų2075.5 Ų75.59%0.08838%0.378CS..EExtended strand (participates in β ladder)trans-109.6121.8171.8-81.5-65.1000111.4V768 C769 V784 M787 F792 F817F751-V768 WeakPolarHBondContact CA-O 3.38Å; F751-C769 HydrophobicContact CD1-CB 4.15Å; F751-C769 HydrophobicContact CE1-CB 3.75Å; F751-V784 HydrophobicContact CD1-CG2 4.33Å; F751-V784 HydrophobicContact CE1-CG2 3.73Å; F751-M787 HydrophobicContact CB-CE 3.51Å; F751-M787 HydrophobicContact CB-SD 4.49Å; F751-M787 HydrophobicContact CD1-CG 4.21Å; F751-M787 HydrophobicContact CD2-CB 4.37Å; F751-M787 HydrophobicContact CD2-CE 3.58Å; F751-M787 HydrophobicContact CD2-CG 4.22Å; F751-M787 HydrophobicContact CE1-CG 4.49Å; F751-M787 HydrophobicContact CE2-CB 4.24Å; F751-M787 HydrophobicContact CE2-CE 4.47Å; F751-M787 HydrophobicContact CE2-CG 4.48Å; F751-M787 HydrophobicContact CG-CE 3.71Å; F751-M787 HydrophobicContact CG-CG 4.07Å; F751-M787 HydrophobicContact CZ-CB 4.43Å; F751-F792 HydrophobicContact CE2-CD2 4.48Å; F751-F792 HydrophobicContact CZ-CB 4.09Å; F751-F792 HydrophobicContact CZ-CD2 4.05Å; F751-F792 HydrophobicContact CZ-CG 4.45Å; F751-F817 AromaticContact CD2-CE1 3.9Å; F751-F817 HydrophobicContact CD2-CE1 3.9Å; F751-F817 HydrophobicContact CD2-CE2 4.24Å; F751-F817 AromaticContact CD2-CZ 3.45Å; F751-F817 HydrophobicContact CD2-CZ 3.45Å; F751-F817 VanDerWaalsContact CD2-CZ 3.45Å; F751-F817 HydrophobicContact CE2-CD1 4.37Å; F751-F817 AromaticContact CE2-CE1 3.44Å; F751-F817 HydrophobicContact CE2-CE1 3.44Å; F751-F817 VanDerWaalsContact CE2-CE1 3.44Å; F751-F817 HydrophobicContact CE2-CE2 4.5Å; F751-F817 AromaticContact CE2-CZ 3.53Å; F751-F817 HydrophobicContact CE2-CZ 3.53Å; F751-F817 HydrophobicContact CG-CZ 4.4Å; F751-F817 HydrophobicContact CZ-CE1 4.18Å
752A86.7Confident84.6Confident45 Ų4579.8 Ų79.837%0.37239%0.39SS..EExtended strand (participates in β ladder)trans-95.5127.7167.800000110.3Y767 V768 V770A752-Y767 WeakPolarHBondContact O-CA 3.45Å; A752-V768 HydrophobicContact CB-CB 4.43Å; A752-V768 PolarHBondContact N-O 2.71Å; A752-V768 PolarHBondContact O-N 2.87Å; A752-V770 HydrophobicContact CB-CG2 3.77Å
753G83.3Confident84Confident45 Ų4576 Ų7646%0.46439%0.386SS..EExtended strand (participates in β ladder)trans148.1-172.2174.800000113.8
754P83.2Confident83.5Confident53 Ų5373.8 Ų73.834%0.34438%0.375SS..EExtended strand (participates in β ladder)cis-74.9135.36.228.9-33.8000113.5K765 Y767P754-K765 HydrophobicContact CB-CB 4.29Å; P754-K765 HydrophobicContact CB-CD 4.17Å; P754-K765 HydrophobicContact CB-CG 4.2Å; P754-Y767 HydrophobicContact CB-CD1 4.36Å; P754-Y767 HydrophobicContact CB-CE1 3.72Å; P754-Y767 HydrophobicContact CG-CE1 4.41Å
755L81.7Confident83.1Confident93 Ų9378.3 Ų78.349%0.48740%0.395SS..EExtended strand (participates in β ladder)trans-94.5148.3163.6-59.9177000109.3K765 V766 V768L755-K765 CarbonylContact O-C 3.01Å; L755-K765 WeakPolarHBondContact O-CA 3.49Å; L755-V766 HydrophobicContact CB-CG2 4.06Å; L755-V766 PolarHBondContact N-O 2.99Å; L755-V766 PolarHBondContact O-N 3.13Å; L755-V768 HydrophobicContact CD1-CG2 3.82Å
756Y85.5Confident82.9Confident146 Ų14676.1 Ų76.157%0.57339%0.385SS*.EExtended strand (participates in β ladder)trans-108113.4-179.6-65-89.6000109.9V763 K765Y756-V763 HydrophobicContact CD1-CG1 4.09Å; Y756-V763 HydrophobicContact CG-CG1 4.46Å; Y756-K765 HydrophobicContact CD1-CG 3.97Å; Y756-K765 HydrophobicContact CE1-CD 4.2Å; Y756-K765 HydrophobicContact CE1-CG 3.52Å; Y756-K765 WeakPolarHBondContact OH-CE 3.39Å
757I79.2Confident83Confident65 Ų6575 Ų7533%0.33338%0.381SS..EExtended strand (participates in β ladder)trans-111146.9178.663.4164.5000111.8R759 V763 A764 V766I757-R759 HydrophobicContact CD1-CG 3.99Å; I757-R759 HydrophobicContact CG1-CG 4.48Å; I757-R759 PolarHBondContact O-N 2.76Å; I757-V763 CarbonylContact O-C 3.54Å; I757-V763 WeakPolarHBondContact O-CA 3.41Å; I757-A764 PolarHBondContact N-O 3.46Å; I757-A764 PolarHBondContact O-N 2.9Å; I757-V766 HydrophobicContact CB-CG2 4.2Å; I757-V766 HydrophobicContact CD1-CB 4.34Å; I757-V766 HydrophobicContact CD1-CG1 3.43Å; I757-V766 VanDerWaalsContact CD1-CG1 3.43Å; I757-V766 HydrophobicContact CD1-CG2 4.01Å; I757-V766 HydrophobicContact CG1-CB 4.35Å; I757-V766 HydrophobicContact CG1-CG1 3.64Å; I757-V766 HydrophobicContact CG1-CG2 3.75Å; I757-V766 HydrophobicContact CG2-CG2 3.53Å
758R75.6Confident82.9Confident208 Ų20876.1 Ų76.179%0.78539%0.388SS*.EExtended strand (participates in β ladder)trans-91.498.7175.7-166.5175.476.5164.42.9110.3G760 R762R758-G760 WeakPolarHBondContact CG-O 2.95Å; R758-G760 PolarHBondContact O-N 3.09Å; R758-R762 CarbonylContact C-O 3.56Å; R758-R762 WeakPolarHBondContact CA-O 3.21Å
759R71.4Confident82.9Confident171 Ų17175.3 Ų75.365%0.64538%0.38SS*.EExtended strand (participates in β ladder)trans-88.192.3169.1-76.3-170.3174.3-1770.2109.5I757 R761 R762I757-R759 HydrophobicContact CD1-CG 3.99Å; I757-R759 HydrophobicContact CG1-CG 4.48Å; I757-R759 PolarHBondContact O-N 2.76Å; R759-R761 PolarHBondContact O-N 3.03Å; R759-R761 VanDerWaalsContact O-N 3.12Å; R759-R762 PolarHBondContact N-O 3.41Å; R759-R762 PolarHBondContact O-N 2.7Å; R759-R762 VanDerWaalsContact O-N 3.16Å
760G74.7Confident83Confident61 Ų6176.2 Ų76.263%0.62939%0.385SS*.THydrogen-bonded Turntrans62.6-110.8-175.100000111.4R758R758-G760 WeakPolarHBondContact CG-O 2.95Å; R758-G760 PolarHBondContact O-N 3.09Å
761R71.4Confident83.1Confident134 Ų13471.9 Ų71.951%0.50636%0.362SS..THydrogen-bonded Turntrans-99.29.9-179.9-62.4172161.1157-6.3114.3E12 Q13 K22 R759E12-R761 VanDerWaalsContact CA-NH1 3.29Å; E12-R761 PolarHBondContact O-NH1 3.02Å; E12-R761 IonicContact OE2-CZ 2.75Å; E12-R761 IonicContact OE2-NH1 3.41Å; E12-R761 IonicContact OE2-NH2 3.83Å; E12-R761 PolarHBondContact OE2-NH2 3.25Å; Q13-R761 PolarHBondContact OE1-O 3.13Å; K22-R761 PolarHBondContact NZ-O 3.2Å; R759-R761 PolarHBondContact O-N 3.03Å; R759-R761 VanDerWaalsContact O-N 3.12Å
762R60.1Low83.1Confident108 Ų10872.6 Ų72.641%0.40837%0.368SS..EExtended strand (participates in β ladder)trans-119.4134.8-178.8-68.4175.5-172.3-162.1-4.6109.3K22 R758 R759K22-R762 HydrophobicContact CD-CG 3.67Å; K22-R762 VanDerWaalsContact NZ-CG 3.3Å; R758-R762 CarbonylContact C-O 3.56Å; R758-R762 WeakPolarHBondContact CA-O 3.21Å; R759-R762 PolarHBondContact N-O 3.41Å; R759-R762 PolarHBondContact O-N 2.7Å; R759-R762 VanDerWaalsContact O-N 3.16Å
763V78.9Confident83.2Confident107 Ų10770.4 Ų70.465%0.64835%0.35SS*.EExtended strand (participates in β ladder)trans-88.6127.2164.1-179.10000107Y756 I757Y756-V763 HydrophobicContact CD1-CG1 4.09Å; Y756-V763 HydrophobicContact CG-CG1 4.46Å; I757-V763 CarbonylContact O-C 3.54Å; I757-V763 WeakPolarHBondContact O-CA 3.41Å
764A80.2Confident83.3Confident34 Ų3469.2 Ų69.228%0.28133%0.333SS..EExtended strand (participates in β ladder)trans-124.9142-179.700000109.5I757I757-A764 PolarHBondContact N-O 3.46Å; I757-A764 PolarHBondContact O-N 2.9Å
765K85.8Confident83.3Confident112 Ų11269 Ų6949%0.48733%0.33SS..EExtended strand (participates in β ladder)trans-69.7135.9166.1-68.6-178.7-180-176.20108.3P754 L755 Y756P754-K765 HydrophobicContact CB-CB 4.29Å; P754-K765 HydrophobicContact CB-CD 4.17Å; P754-K765 HydrophobicContact CB-CG 4.2Å; L755-K765 CarbonylContact O-C 3.01Å; L755-K765 WeakPolarHBondContact O-CA 3.49Å; Y756-K765 HydrophobicContact CD1-CG 3.97Å; Y756-K765 HydrophobicContact CE1-CD 4.2Å; Y756-K765 HydrophobicContact CE1-CG 3.52Å; Y756-K765 WeakPolarHBondContact OH-CE 3.39Å
766V88.9Confident83.5Confident13 Ų1367.9 Ų67.98%0.07933%0.328CS..EExtended strand (participates in β ladder)trans-134.9156.4168.1-700000108.5L755 I757 V784L755-V766 HydrophobicContact CB-CG2 4.06Å; L755-V766 PolarHBondContact N-O 2.99Å; L755-V766 PolarHBondContact O-N 3.13Å; I757-V766 HydrophobicContact CB-CG2 4.2Å; I757-V766 HydrophobicContact CD1-CB 4.34Å; I757-V766 HydrophobicContact CD1-CG1 3.43Å; I757-V766 VanDerWaalsContact CD1-CG1 3.43Å; I757-V766 HydrophobicContact CD1-CG2 4.01Å; I757-V766 HydrophobicContact CG1-CB 4.35Å; I757-V766 HydrophobicContact CG1-CG1 3.64Å; I757-V766 HydrophobicContact CG1-CG2 3.75Å; I757-V766 HydrophobicContact CG2-CG2 3.53Å; V766-V784 WeakPolarHBondContact CA-O 3.42Å; V766-V784 WeakPolarHBondContact CB-O 3.4Å
767Y92.8Very high83.4Confident45 Ų4567.2 Ų67.218%0.17632%0.324CS..EExtended strand (participates in β ladder)trans-121.8162.1175.7-54.2-97000107.6A752 P754 V784 M787A752-Y767 WeakPolarHBondContact O-CA 3.45Å; P754-Y767 HydrophobicContact CB-CD1 4.36Å; P754-Y767 HydrophobicContact CB-CE1 3.72Å; P754-Y767 HydrophobicContact CG-CE1 4.41Å; Y767-V784 PolarHBondContact N-O 3.37Å; Y767-V784 PolarHBondContact O-N 2.71Å; Y767-V784 VanDerWaalsContact O-O 3.11Å; Y767-M787 HydrophobicContact CD1-CG 3.61Å; Y767-M787 HydrophobicContact CD1-SD 3.56Å; Y767-M787 VanDerWaalsContact CD1-SD 3.56Å; Y767-M787 HydrophobicContact CD2-CG 3.9Å; Y767-M787 HydrophobicContact CE1-CG 3.9Å; Y767-M787 HydrophobicContact CE1-SD 3.47Å; Y767-M787 WeakPolarHBondContact CE1-SD 3.31Å; Y767-M787 HydrophobicContact CE2-CG 4.2Å; Y767-M787 HydrophobicContact CG-CG 3.6Å; Y767-M787 HydrophobicContact CG-SD 4.2Å
768V91.6Very high83.8Confident23 Ų2366 Ų6614%0.13932%0.324CS..EExtended strand (participates in β ladder)trans-120.5119.2174.5-177.10000106.9F751 A752 L755 V770 L781 E782F751-V768 WeakPolarHBondContact CA-O 3.38Å; A752-V768 HydrophobicContact CB-CB 4.43Å; A752-V768 PolarHBondContact N-O 2.71Å; A752-V768 PolarHBondContact O-N 2.87Å; L755-V768 HydrophobicContact CD1-CG2 3.82Å; V768-V770 HydrophobicContact CG1-CG2 4.24Å; V768-V770 PolarHBondContact O-N 2.99Å; V768-L781 HydrophobicContact CG1-CB 3.77Å; V768-L781 HydrophobicContact CG1-CD2 3.83Å; V768-L781 HydrophobicContact CG1-CG 4.28Å; V768-E782 CarbonylContact C-O 3.47Å; V768-E782 WeakPolarHBondContact CA-O 3.39Å
769C93.4Very high84.6Confident0 Ų060.9 Ų60.90%031%0.311CS..EExtended strand (participates in β ladder)trans-75.4115.4167.2-165.50000107.7V749 D750 F751 F771 E782 A795V749-C769 WeakPolarHBondContact CG2-SG 3.18Å; D750-C769 CarbonylContact O-C 3.51Å; D750-C769 WeakPolarHBondContact O-CA 3.35Å; F751-C769 HydrophobicContact CD1-CB 4.15Å; F751-C769 HydrophobicContact CE1-CB 3.75Å; C769-F771 HydrophobicContact CB-CE2 4.04Å; C769-F771 VanDerWaalsContact SG-CE2 3.52Å; C769-F771 VanDerWaalsContact SG-CZ 3.53Å; C769-E782 HydrophobicContact CB-CB 4.13Å; C769-E782 PolarHBondContact N-O 3.34Å; C769-E782 PolarHBondContact O-N 3.4Å; C769-A795 HydrophobicContact CB-CB 4.13Å
770V94.5Very high85.7Confident27 Ų2753.6 Ų53.616%0.16428%0.284CS..EExtended strand (participates in β ladder)trans-101.7105.5-173.8-175.50000108.4V749 D750 A752 V768 I779 L781V749-V770 WeakPolarHBondContact CA-O 3.44Å; D750-V770 PolarHBondContact N-O 3.2Å; D750-V770 VanDerWaalsContact N-O 3.08Å; D750-V770 PolarHBondContact O-N 2.67Å; A752-V770 HydrophobicContact CB-CG2 3.77Å; V768-V770 HydrophobicContact CG1-CG2 4.24Å; V768-V770 PolarHBondContact O-N 2.99Å; V770-I779 HydrophobicContact CG1-CG2 3.79Å; V770-L781 HydrophobicContact CB-CD2 4.17Å; V770-L781 HydrophobicContact CG1-CD2 3.86Å; V770-L781 HydrophobicContact CG2-CD2 3.85Å
771F94.5Very high86.7Confident0 Ų055.6 Ų55.60%028%0.28CS..EExtended strand (participates in β ladder)trans-93.3118.8172.1-62.2-88.2000109.1T747 G748 V749 C769 I779 H780 E782 F792 L796 F799T747-F771 HydrophobicContact CG2-CB 3.96Å; T747-F771 HydrophobicContact CG2-CD1 4.02Å; G748-F771 CarbonylContact O-C 3.58Å; G748-F771 WeakPolarHBondContact O-CA 3.33Å; V749-F771 HydrophobicContact CB-CD1 4.05Å; V749-F771 HydrophobicContact CB-CE1 4.16Å; V749-F771 HydrophobicContact CG2-CD1 3.69Å; V749-F771 HydrophobicContact CG2-CE1 3.54Å; V749-F771 HydrophobicContact CG2-CG 4.28Å; V749-F771 HydrophobicContact CG2-CZ 4.01Å; C769-F771 HydrophobicContact CB-CE2 4.04Å; C769-F771 VanDerWaalsContact SG-CE2 3.52Å; C769-F771 VanDerWaalsContact SG-CZ 3.53Å; F771-I779 CarbonylContact O-C 3.51Å; F771-I779 WeakPolarHBondContact O-CA 3.49Å; F771-H780 HydrophobicContact CB-CB 4.25Å; F771-H780 PolarHBondContact N-O 2.96Å; F771-H780 PolarHBondContact O-N 3.21Å; F771-E782 HydrophobicContact CD2-CG 4.45Å; F771-E782 HydrophobicContact CE2-CB 4.14Å; F771-E782 HydrophobicContact CE2-CG 4.08Å; F771-F792 HydrophobicContact CE1-CE2 4.47Å; F771-F792 HydrophobicContact CZ-CE2 4.29Å; F771-L796 HydrophobicContact CE1-CD1 3.87Å; F771-L796 HydrophobicContact CZ-CB 4.4Å; F771-L796 HydrophobicContact CZ-CD1 4.29Å; F771-F799 HydrophobicContact CB-CD2 3.77Å; F771-F799 HydrophobicContact CB-CE2 3.67Å; F771-F799 HydrophobicContact CB-CG 4.39Å; F771-F799 HydrophobicContact CB-CZ 4.25Å; F771-F799 HydrophobicContact CD1-CB 4.47Å; F771-F799 AromaticContact CD1-CD1 3.89Å; F771-F799 HydrophobicContact CD1-CD1 3.89Å; F771-F799 HydrophobicContact CD1-CD2 4.11Å; F771-F799 HydrophobicContact CD1-CE1 4.11Å; F771-F799 HydrophobicContact CD1-CE2 4.31Å; F771-F799 AromaticContact CD1-CG 3.88Å; F771-F799 HydrophobicContact CD1-CG 3.88Å; F771-F799 HydrophobicContact CD1-CZ 4.31Å; F771-F799 HydrophobicContact CD2-CB 4.01Å; F771-F799 AromaticContact CD2-CD2 3.97Å; F771-F799 HydrophobicContact CD2-CD2 3.97Å; F771-F799 HydrophobicContact CD2-CG 4.01Å; F771-F799 HydrophobicContact CE1-CB 4.31Å; F771-F799 HydrophobicContact CE1-CD1 4.02Å; F771-F799 HydrophobicContact CE1-CG 4.1Å; F771-F799 HydrophobicContact CE2-CB 3.82Å; F771-F799 HydrophobicContact CE2-CG 4.22Å; F771-F799 HydrophobicContact CG-CB 4.32Å; F771-F799 HydrophobicContact CG-CD1 4.29Å; F771-F799 AromaticContact CG-CD2 3.68Å; F771-F799 HydrophobicContact CG-CD2 3.68Å; F771-F799 HydrophobicContact CG-CE2 4Å; F771-F799 AromaticContact CG-CG 3.82Å; F771-F799 HydrophobicContact CG-CG 3.82Å; F771-F799 HydrophobicContact CG-CZ 4.44Å; F771-F799 HydrophobicContact CZ-CB 3.99Å; F771-F799 HydrophobicContact CZ-CG 4.26Å
772T91.8Very high87.8Confident34 Ų3450.3 Ų50.321%0.20926%0.261CS..EExtended strand (participates in β ladder)trans-114.6119.8-180-55.20000109.6T747 G748 M774 I779T747-T772 CarbonylContact C-O 3.41Å; T747-T772 WeakPolarHBondContact CA-O 3.33Å; G748-T772 PolarHBondContact N-O 3.34Å; G748-T772 PolarHBondContact O-N 3.05Å; T772-M774 PolarHBondContact O-N 3.24Å; T772-I779 HydrophobicContact CG2-CG1 4.31Å
773C88.5Confident89.3Confident0 Ų049.4 Ų49.40%027%0.269CS..EExtended strand (participates in β ladder)trans-62.8126.4171.1179.80000109.6F744 V775 T776 R777 A778F744-C773 HydrophobicContact CD1-CB 3.76Å; F744-C773 HydrophobicContact CE1-CB 3.82Å; F744-C773 HydrophobicContact CG-CB 4.15Å; F744-C773 HydrophobicContact CZ-CB 4.25Å; F744-C773 PolarHBondContact N-SG 3.4Å; C773-V775 VanDerWaalsContact C-N 3.31Å; C773-V775 PolarHBondContact SG-N 3.34Å; C773-V775 VanDerWaalsContact SG-N 3.44Å; C773-T776 WeakPolarHBondContact CB-OG1 3.4Å; C773-T776 PolarHBondContact SG-N 2.93Å; C773-T776 VanDerWaalsContact SG-N 3.36Å; C773-T776 PolarHBondContact SG-OG1 3.47Å; C773-T776 VanDerWaalsContact SG-OG1 3.34Å; C773-R777 WeakPolarHBondContact O-CA 3.46Å; C773-R777 PolarHBondContact O-N 3.01Å; C773-A778 HydrophobicContact CB-CB 4.37Å; C773-A778 PolarHBondContact N-O 3.38Å
774M84.7Confident89.9Confident20 Ų2044.8 Ų44.810%0.09924%0.241CC..THydrogen-bonded Turntrans-72.5-28.6178.8-64.9-173.517700112.7G736 R746 T772 Q810G736-M774 WeakPolarHBondContact O-CB 3.27Å; R746-M774 HydrophobicContact CB-CB 4.11Å; R746-M774 HydrophobicContact CB-CG 4.41Å; R746-M774 HydrophobicContact CB-SD 4.11Å; R746-M774 WeakPolarHBondContact O-CB 3.41Å; R746-M774 PolarHBondContact O-N 3.37Å; T772-M774 PolarHBondContact O-N 3.24Å; M774-Q810 HydrophobicContact CE-CB 3.32Å; M774-Q810 HydrophobicContact CE-CG 4.21Å
775V84Confident90.3Very high47 Ų4745.8 Ų45.829%0.28525%0.246SC..THydrogen-bonded Turntrans-77.9-56.7-178.4-1710000110.9A741 C773A741-V775 HydrophobicContact CB-CG2 3.8Å; A741-V775 WeakPolarHBondContact O-CG1 3.36Å; C773-V775 VanDerWaalsContact C-N 3.31Å; C773-V775 PolarHBondContact SG-N 3.34Å; C773-V775 VanDerWaalsContact SG-N 3.44Å
776T85.5Confident90.6Very high71 Ų7143.1 Ų43.144%0.43624%0.239SC..THydrogen-bonded Turntrans-98.3-9.5-171.965.50000113.7P743 C773 A778P743-T776 HydrophobicContact CB-CG2 4.31Å; P743-T776 HydrophobicContact CG-CG2 4.24Å; C773-T776 WeakPolarHBondContact CB-OG1 3.4Å; C773-T776 PolarHBondContact SG-N 2.93Å; C773-T776 VanDerWaalsContact SG-N 3.36Å; C773-T776 PolarHBondContact SG-OG1 3.47Å; C773-T776 VanDerWaalsContact SG-OG1 3.34Å; T776-A778 PolarHBondContact O-N 3.3Å; T776-A778 VanDerWaalsContact O-N 3.1Å; T776-A778 VanDerWaalsContact OG1-CB 3.3Å; T776-A778 WeakPolarHBondContact OG1-CB 3.49Å; T776-A778 PolarHBondContact OG1-N 2.87Å
777R83.4Confident90.7Very high131 Ų13145 Ų4549%0.49425%0.248SC..  trans61.510.1-171.4-41.8-62.5-102.1125.83.6114R737 C773R737-R777 VanDerWaalsContact NH2-CZ 3.35Å; R737-R777 VanDerWaalsContact NH2-NH2 3.15Å; C773-R777 WeakPolarHBondContact O-CA 3.46Å; C773-R777 PolarHBondContact O-N 3.01Å
778A87.4Confident90.7Very high40 Ų4045.9 Ų45.933%0.33126%0.258SS..  trans-62.5141.117200000110.6F744 C773 T776F744-A778 HydrophobicContact CE2-CB 4.23Å; F744-A778 HydrophobicContact CZ-CB 3.87Å; C773-A778 HydrophobicContact CB-CB 4.37Å; C773-A778 PolarHBondContact N-O 3.38Å; T776-A778 PolarHBondContact O-N 3.3Å; T776-A778 VanDerWaalsContact O-N 3.1Å; T776-A778 VanDerWaalsContact OG1-CB 3.3Å; T776-A778 WeakPolarHBondContact OG1-CB 3.49Å; T776-A778 PolarHBondContact OG1-N 2.87Å
779I93Very high90.7Very high100 Ų10046.7 Ų46.751%0.51326%0.263SS..EExtended strand (participates in β ladder)trans-111.3139.7-177.1-57.9171.6000109.3V770 F771 T772 L781V770-I779 HydrophobicContact CG1-CG2 3.79Å; F771-I779 CarbonylContact O-C 3.51Å; F771-I779 WeakPolarHBondContact O-CA 3.49Å; T772-I779 HydrophobicContact CG2-CG1 4.31Å; I779-L781 HydrophobicContact CG2-CD2 3.49Å; I779-L781 VanDerWaalsContact CG2-CD2 3.49Å; I779-L781 HydrophobicContact CG2-CG 3.96Å
780H94.4Very high90.6Very high19 Ų1953.6 Ų53.69%0.08830%0.295CS..EExtended strand (participates in β ladder)trans-124.3128.8168.9-178.894.7000108.8F744 F771 E782 F799 R803F744-H780 HydrophobicContact CE1-CB 4.13Å; F744-H780 HydrophobicContact CZ-CB 4.27Å; F771-H780 HydrophobicContact CB-CB 4.25Å; F771-H780 PolarHBondContact N-O 2.96Å; F771-H780 PolarHBondContact O-N 3.21Å; H780-E782 IonicContact NE2-OE1 2.67Å; H780-E782 PolarHBondContact NE2-OE1 2.98Å; H780-F799 HydrophobicContact CB-CD2 4.11Å; H780-F799 HydrophobicContact CB-CE2 4.24Å; H780-F799 AromaticContact CD2-CD2 3.56Å; H780-F799 AromaticContact CG-CD2 3.88Å; H780-R803 PolarHBondContact ND1-NE 2.91Å
781L95.1Very high90.6Very high102 Ų10253.7 Ų53.753%0.53430%0.295SS..EExtended strand (participates in β ladder)trans-115126.8-170.7-61.7179.9000110.2V768 V770 I779V768-L781 HydrophobicContact CG1-CB 3.77Å; V768-L781 HydrophobicContact CG1-CD2 3.83Å; V768-L781 HydrophobicContact CG1-CG 4.28Å; V770-L781 HydrophobicContact CB-CD2 4.17Å; V770-L781 HydrophobicContact CG1-CD2 3.86Å; V770-L781 HydrophobicContact CG2-CD2 3.85Å; I779-L781 HydrophobicContact CG2-CD2 3.49Å; I779-L781 VanDerWaalsContact CG2-CD2 3.49Å; I779-L781 HydrophobicContact CG2-CG 3.96Å
782E94.6Very high90.6Very high23 Ų2354.1 Ų54.111%0.10730%0.297CS..EExtended strand (participates in β ladder)trans-120.6108.6179.1-83.4-66.9157.200110.6V768 C769 F771 H780 A795 R798V768-E782 CarbonylContact C-O 3.47Å; V768-E782 WeakPolarHBondContact CA-O 3.39Å; C769-E782 HydrophobicContact CB-CB 4.13Å; C769-E782 PolarHBondContact N-O 3.34Å; C769-E782 PolarHBondContact O-N 3.4Å; F771-E782 HydrophobicContact CD2-CG 4.45Å; F771-E782 HydrophobicContact CE2-CB 4.14Å; F771-E782 HydrophobicContact CE2-CG 4.08Å; H780-E782 IonicContact NE2-OE1 2.67Å; H780-E782 PolarHBondContact NE2-OE1 2.98Å; E782-A795 HydrophobicContact CB-CB 3.84Å; E782-A795 HydrophobicContact CG-CB 4.35Å; E782-R798 WeakPolarHBondContact OE1-CB 3.34Å; E782-R798 IonicContact OE1-NE 3.42Å; E782-R798 IonicContact OE2-CZ 2.68Å; E782-R798 VanDerWaalsContact OE2-CZ 3.31Å; E782-R798 IonicContact OE2-NE 3.8Å; E782-R798 PolarHBondContact OE2-NE 3.3Å; E782-R798 IonicContact OE2-NH2 3.6Å; E782-R798 PolarHBondContact OE2-NH2 3.35Å
783P91.5Very high90.7Very high90 Ų9054.3 Ų54.358%0.58430%0.296SS*.EExtended strand (participates in β ladder)trans-71.8133178.529.2-32.8000110.8
784V92.4Very high91Very high9 Ų958.8 Ų58.86%0.05532%0.318CS..EExtended strand (participates in β ladder)trans-130.4150.3177.2-61.90000111.2F751 V766 Y767 T786 D791 A795F751-V784 HydrophobicContact CD1-CG2 4.33Å; F751-V784 HydrophobicContact CE1-CG2 3.73Å; V766-V784 WeakPolarHBondContact CA-O 3.42Å; V766-V784 WeakPolarHBondContact CB-O 3.4Å; Y767-V784 PolarHBondContact N-O 3.37Å; Y767-V784 PolarHBondContact O-N 2.71Å; Y767-V784 VanDerWaalsContact O-O 3.11Å; V784-T786 WeakPolarHBondContact CG2-O 3.4Å; V784-D791 HydrophobicContact CB-CB 4.2Å; V784-D791 HydrophobicContact CG1-CB 4.39Å; V784-A795 HydrophobicContact CG1-CB 3.83Å
785S89.1Confident91.6Very high56 Ų5657.9 Ų57.939%0.39231%0.314SS..SBendtrans-73.5-36.5177.426.40000112.6D791S785-D791 PolarHBondContact OG-OD2 3.13Å
786T91.1Very high92.1Very high56 Ų5656.1 Ų56.134%0.34430%0.303SS..  trans-139.4164.8-175.4700000110.1V784 T788 D791V784-T786 WeakPolarHBondContact CG2-O 3.4Å; T786-T788 VanDerWaalsContact C-N 3.27Å; T786-T788 WeakPolarHBondContact OG1-CG2 3.46Å; T786-T788 PolarHBondContact OG1-OG1 3.16Å; T786-T788 VanDerWaalsContact OG1-OG1 3.04Å; T786-D791 WeakPolarHBondContact CA-OD2 3.46Å; T786-D791 WeakPolarHBondContact CB-OD2 3.48Å; T786-D791 PolarHBondContact N-OD2 3.47Å; T786-D791 WeakPolarHBondContact O-CB 3.37Å; T786-D791 PolarHBondContact OG1-OD2 2.92Å
787M90.9Very high92.5Very high51 Ų5160.5 Ų60.525%0.25131%0.311SS..  trans-93.628173.8-60169.174.300111.3F751 Y767 F814 S816F751-M787 HydrophobicContact CB-CE 3.51Å; F751-M787 HydrophobicContact CB-SD 4.49Å; F751-M787 HydrophobicContact CD1-CG 4.21Å; F751-M787 HydrophobicContact CD2-CB 4.37Å; F751-M787 HydrophobicContact CD2-CE 3.58Å; F751-M787 HydrophobicContact CD2-CG 4.22Å; F751-M787 HydrophobicContact CE1-CG 4.49Å; F751-M787 HydrophobicContact CE2-CB 4.24Å; F751-M787 HydrophobicContact CE2-CE 4.47Å; F751-M787 HydrophobicContact CE2-CG 4.48Å; F751-M787 HydrophobicContact CG-CE 3.71Å; F751-M787 HydrophobicContact CG-CG 4.07Å; F751-M787 HydrophobicContact CZ-CB 4.43Å; Y767-M787 HydrophobicContact CD1-CG 3.61Å; Y767-M787 HydrophobicContact CD1-SD 3.56Å; Y767-M787 VanDerWaalsContact CD1-SD 3.56Å; Y767-M787 HydrophobicContact CD2-CG 3.9Å; Y767-M787 HydrophobicContact CE1-CG 3.9Å; Y767-M787 HydrophobicContact CE1-SD 3.47Å; Y767-M787 WeakPolarHBondContact CE1-SD 3.31Å; Y767-M787 HydrophobicContact CE2-CG 4.2Å; Y767-M787 HydrophobicContact CG-CG 3.6Å; Y767-M787 HydrophobicContact CG-SD 4.2Å; M787-F814 HydrophobicContact CB-CE1 3.97Å; M787-F814 HydrophobicContact CB-CZ 4.37Å; M787-F814 HydrophobicContact CE-CD1 4.18Å; M787-F814 HydrophobicContact CE-CD2 4.46Å; M787-F814 HydrophobicContact CE-CE1 3.53Å; M787-F814 HydrophobicContact CE-CE2 3.86Å; M787-F814 HydrophobicContact CE-CZ 3.35Å; M787-F814 HydrophobicContact SD-CE1 4.49Å; M787-F814 HydrophobicContact SD-CZ 4.15Å; M787-S816 WeakPolarHBondContact O-CB 3.38Å; M787-S816 PolarHBondContact O-OG 3.26Å
788T92.6Very high93.2Very high65 Ų6558.4 Ų58.440%0.39930%0.303SS..SBendtrans-72.7160.9178.660.80000111T786 E790 D791 F792T786-T788 VanDerWaalsContact C-N 3.27Å; T786-T788 WeakPolarHBondContact OG1-CG2 3.46Å; T786-T788 PolarHBondContact OG1-OG1 3.16Å; T786-T788 VanDerWaalsContact OG1-OG1 3.04Å; T788-E790 PolarHBondContact O-N 3.27Å; T788-D791 PolarHBondContact O-N 3.1Å; T788-D791 PolarHBondContact OG1-N 3.33Å; T788-F792 WeakPolarHBondContact O-CB 3.12Å; T788-F792 PolarHBondContact O-N 2.67Å
789T91.4Very high93.6Very high40 Ų4056.5 Ų56.525%0.24529%0.288CS..Hα-helixtrans-56.4-39.7175.8-48.70000112F792 I793 A819 A820T789-F792 PolarHBondContact O-N 3.49Å; T789-I793 HydrophobicContact CG2-CD1 3.98Å; T789-I793 VanDerWaalsContact O-CG1 3.29Å; T789-I793 WeakPolarHBondContact O-CG1 3.12Å; T789-I793 PolarHBondContact O-N 3.22Å; T789-A819 HydrophobicContact CG2-CB 3.88Å; T789-A819 WeakPolarHBondContact OG1-CB 3.27Å; T789-A820 HydrophobicContact CG2-CB 3.86Å
790E92.9Very high93.7Very high144 Ų14454.5 Ų54.567%0.67328%0.277SS*.Hα-helixtrans-65.6-51179.9-173.9179.8-17600112.2T788 F792 I793 M794T788-E790 PolarHBondContact O-N 3.27Å; E790-F792 PolarHBondContact O-N 3.21Å; E790-I793 PolarHBondContact O-N 3.19Å; E790-M794 WeakPolarHBondContact O-CG 3.06Å; E790-M794 PolarHBondContact O-N 3.42Å
791D93.8Very high93.8Very high29 Ų2958.6 Ų58.616%0.15531%0.307CS..Hα-helixtrans-60.3-37.2177.8-89.2-0.7000111V784 S785 T786 T788 A795V784-D791 HydrophobicContact CB-CB 4.2Å; V784-D791 HydrophobicContact CG1-CB 4.39Å; S785-D791 PolarHBondContact OG-OD2 3.13Å; T786-D791 WeakPolarHBondContact CA-OD2 3.46Å; T786-D791 WeakPolarHBondContact CB-OD2 3.48Å; T786-D791 PolarHBondContact N-OD2 3.47Å; T786-D791 WeakPolarHBondContact O-CB 3.37Å; T786-D791 PolarHBondContact OG1-OD2 2.92Å; T788-D791 PolarHBondContact O-N 3.1Å; T788-D791 PolarHBondContact OG1-N 3.33Å; D791-A795 WeakPolarHBondContact O-CB 3.37Å; D791-A795 PolarHBondContact O-N 2.99Å
792F95.1Very high93.8Very high9 Ų962.7 Ų62.74%0.03932%0.316CS..Hα-helixtrans-64.9-49.2173.8174.9-112.2000112.6V749 F751 F771 T788 T789 E790 M794 A795 L796 F817 A820V749-F792 HydrophobicContact CG1-CE2 4.5Å; V749-F792 HydrophobicContact CG1-CZ 4.46Å; V749-F792 HydrophobicContact CG2-CE2 3.93Å; F751-F792 HydrophobicContact CE2-CD2 4.48Å; F751-F792 HydrophobicContact CZ-CB 4.09Å; F751-F792 HydrophobicContact CZ-CD2 4.05Å; F751-F792 HydrophobicContact CZ-CG 4.45Å; F771-F792 HydrophobicContact CE1-CE2 4.47Å; F771-F792 HydrophobicContact CZ-CE2 4.29Å; T788-F792 WeakPolarHBondContact O-CB 3.12Å; T788-F792 PolarHBondContact O-N 2.67Å; T789-F792 PolarHBondContact O-N 3.49Å; E790-F792 PolarHBondContact O-N 3.21Å; F792-M794 PolarHBondContact O-N 3.48Å; F792-A795 WeakPolarHBondContact O-CB 3.41Å; F792-A795 PolarHBondContact O-N 3.1Å; F792-A795 VanDerWaalsContact O-N 3.08Å; F792-L796 HydrophobicContact CE1-CD2 4.28Å; F792-L796 HydrophobicContact CZ-CB 4.46Å; F792-L796 HydrophobicContact CZ-CD2 4.35Å; F792-L796 WeakPolarHBondContact O-CB 3.46Å; F792-L796 PolarHBondContact O-N 3.01Å; F792-F817 HydrophobicContact CD1-CD1 4Å; F792-F817 HydrophobicContact CD1-CE1 4.46Å; F792-F817 AromaticContact CD2-CD1 3.91Å; F792-F817 HydrophobicContact CD2-CD1 3.91Å; F792-F817 AromaticContact CD2-CE1 3.53Å; F792-F817 HydrophobicContact CD2-CE1 3.53Å; F792-F817 AromaticContact CE1-CD1 3.8Å; F792-F817 HydrophobicContact CE1-CD1 3.8Å; F792-F817 HydrophobicContact CE1-CE1 4.35Å; F792-F817 AromaticContact CE2-CD1 3.72Å; F792-F817 HydrophobicContact CE2-CD1 3.72Å; F792-F817 AromaticContact CE2-CE1 3.41Å; F792-F817 HydrophobicContact CE2-CE1 3.41Å; F792-F817 VanDerWaalsContact CE2-CE1 3.41Å; F792-F817 HydrophobicContact CG-CD1 4.04Å; F792-F817 HydrophobicContact CG-CE1 4.06Å; F792-F817 AromaticContact CZ-CD1 3.65Å; F792-F817 HydrophobicContact CZ-CD1 3.65Å; F792-F817 AromaticContact CZ-CE1 3.85Å; F792-F817 HydrophobicContact CZ-CE1 3.85Å; F792-A820 HydrophobicContact CD1-CB 3.52Å; F792-A820 HydrophobicContact CE1-CB 3.69Å
793I93.6Very high93.8Very high38 Ų3867 Ų6720%0.19533%0.331CS..Hα-helixtrans-59.8-39.1178.8-71.8169.2000110.5T789 E790 L796 R797 A820 E823T789-I793 HydrophobicContact CG2-CD1 3.98Å; T789-I793 VanDerWaalsContact O-CG1 3.29Å; T789-I793 WeakPolarHBondContact O-CG1 3.12Å; T789-I793 PolarHBondContact O-N 3.22Å; E790-I793 PolarHBondContact O-N 3.19Å; I793-L796 PolarHBondContact O-N 3.42Å; I793-R797 WeakPolarHBondContact O-CG 3.3Å; I793-R797 PolarHBondContact O-N 2.94Å; I793-A820 HydrophobicContact CD1-CB 4.38Å; I793-A820 HydrophobicContact CG1-CB 4.09Å; I793-E823 HydrophobicContact CD1-CB 4.37Å; I793-E823 HydrophobicContact CD1-CG 4.24Å
794M95.2Very high93.8Very high95 Ų9564.5 Ų64.547%0.46832%0.322SS..Hα-helixtrans-64.2-42.3174.3-70.8-165.779.600112.5E790 F792 R797 R798E790-M794 WeakPolarHBondContact O-CG 3.06Å; E790-M794 PolarHBondContact O-N 3.42Å; F792-M794 PolarHBondContact O-N 3.48Å; M794-R797 PolarHBondContact O-N 2.87Å; M794-R798 PolarHBondContact O-N 3.25Å; M794-R798 PolarHBondContact O-NH1 3.23Å
795A95.8Very high93.8Very high0 Ų071.9 Ų71.90%035%0.353CS..Hα-helixtrans-63-44.3174.200000111.8C769 E782 V784 D791 F792 R797 R798 F799C769-A795 HydrophobicContact CB-CB 4.13Å; E782-A795 HydrophobicContact CB-CB 3.84Å; E782-A795 HydrophobicContact CG-CB 4.35Å; V784-A795 HydrophobicContact CG1-CB 3.83Å; D791-A795 WeakPolarHBondContact O-CB 3.37Å; D791-A795 PolarHBondContact O-N 2.99Å; F792-A795 WeakPolarHBondContact O-CB 3.41Å; F792-A795 PolarHBondContact O-N 3.1Å; F792-A795 VanDerWaalsContact O-N 3.08Å; A795-R797 VanDerWaalsContact C-N 3.32Å; A795-R797 PolarHBondContact O-N 3.08Å; A795-R798 PolarHBondContact O-N 3.08Å; A795-F799 PolarHBondContact O-N 2.85Å
796L95.2Very high94Very high10 Ų1069.8 Ų69.85%0.05234%0.338CS..Hα-helixtrans-60.6-41.3177.4178.860000111.7F771 F792 I793 F799 M800 I809 I824F771-L796 HydrophobicContact CE1-CD1 3.87Å; F771-L796 HydrophobicContact CZ-CB 4.4Å; F771-L796 HydrophobicContact CZ-CD1 4.29Å; F792-L796 HydrophobicContact CE1-CD2 4.28Å; F792-L796 HydrophobicContact CZ-CB 4.46Å; F792-L796 HydrophobicContact CZ-CD2 4.35Å; F792-L796 WeakPolarHBondContact O-CB 3.46Å; F792-L796 PolarHBondContact O-N 3.01Å; I793-L796 PolarHBondContact O-N 3.42Å; L796-F799 HydrophobicContact CD1-CD1 4.14Å; L796-F799 PolarHBondContact O-N 3.15Å; L796-M800 HydrophobicContact CD1-CE 4.44Å; L796-M800 HydrophobicContact CD1-CG 4.2Å; L796-M800 HydrophobicContact CD1-SD 4.31Å; L796-M800 HydrophobicContact CD2-CE 4.44Å; L796-M800 HydrophobicContact CG-CE 3.86Å; L796-M800 HydrophobicContact CG-SD 4.33Å; L796-M800 WeakPolarHBondContact O-CB 3.46Å; L796-M800 WeakPolarHBondContact O-CG 3.28Å; L796-M800 PolarHBondContact O-N 2.96Å; L796-I809 HydrophobicContact CD1-CD1 3.41Å; L796-I809 VanDerWaalsContact CD1-CD1 3.41Å; L796-I809 HydrophobicContact CD2-CD1 4.41Å; L796-I824 HydrophobicContact CD2-CD1 4.06Å
797R94.3Very high93.9Very high163 Ų16371 Ų7162%0.61535%0.354SS*.Hα-helixtrans-61.3-43.8174.4-79.2-179.6171.4178.6-1.2112.6I793 M794 A795 M800 S801I793-R797 WeakPolarHBondContact O-CG 3.3Å; I793-R797 PolarHBondContact O-N 2.94Å; M794-R797 PolarHBondContact O-N 2.87Å; A795-R797 VanDerWaalsContact C-N 3.32Å; A795-R797 PolarHBondContact O-N 3.08Å; R797-M800 HydrophobicContact CG-CE 4.49Å; R797-M800 PolarHBondContact O-N 3.1Å; R797-S801 WeakPolarHBondContact O-CB 3.43Å; R797-S801 PolarHBondContact O-N 2.81Å; R797-S801 PolarHBondContact O-OG 2.93Å
798R97.1Very high93.9Very high88 Ų8871.7 Ų71.733%0.33236%0.363SS..Hα-helixtrans-66.6-38.1177.2-69.5-172.5-59.8-89.70.5112.3E782 M794 A795 S801 R802E782-R798 WeakPolarHBondContact OE1-CB 3.34Å; E782-R798 IonicContact OE1-NE 3.42Å; E782-R798 IonicContact OE2-CZ 2.68Å; E782-R798 VanDerWaalsContact OE2-CZ 3.31Å; E782-R798 IonicContact OE2-NE 3.8Å; E782-R798 PolarHBondContact OE2-NE 3.3Å; E782-R798 IonicContact OE2-NH2 3.6Å; E782-R798 PolarHBondContact OE2-NH2 3.35Å; M794-R798 PolarHBondContact O-N 3.25Å; M794-R798 PolarHBondContact O-NH1 3.23Å; A795-R798 PolarHBondContact O-N 3.08Å; R798-S801 PolarHBondContact O-OG 2.87Å; R798-R802 PolarHBondContact O-N 3.15Å
799F97.1Very high93.8Very high0 Ų071.6 Ų71.60%036%0.359CS..Hα-helixtrans-60.3-52.8171.8166.4-103.1000111.2F744 T747 F771 H780 A795 L796 S801 R802 R803 P806F744-F799 HydrophobicContact CB-CZ 4.08Å; F744-F799 AromaticContact CD1-CE2 3.55Å; F744-F799 HydrophobicContact CD1-CE2 3.55Å; F744-F799 AromaticContact CD1-CZ 3.72Å; F744-F799 HydrophobicContact CD1-CZ 3.72Å; F744-F799 AromaticContact CE1-CE2 3.98Å; F744-F799 HydrophobicContact CE1-CE2 3.98Å; F744-F799 HydrophobicContact CG-CE2 4.18Å; F744-F799 HydrophobicContact CG-CZ 4.19Å; T747-F799 HydrophobicContact CG2-CE1 4.34Å; T747-F799 HydrophobicContact CG2-CZ 3.87Å; F771-F799 HydrophobicContact CB-CD2 3.77Å; F771-F799 HydrophobicContact CB-CE2 3.67Å; F771-F799 HydrophobicContact CB-CG 4.39Å; F771-F799 HydrophobicContact CB-CZ 4.25Å; F771-F799 HydrophobicContact CD1-CB 4.47Å; F771-F799 AromaticContact CD1-CD1 3.89Å; F771-F799 HydrophobicContact CD1-CD1 3.89Å; F771-F799 HydrophobicContact CD1-CD2 4.11Å; F771-F799 HydrophobicContact CD1-CE1 4.11Å; F771-F799 HydrophobicContact CD1-CE2 4.31Å; F771-F799 AromaticContact CD1-CG 3.88Å; F771-F799 HydrophobicContact CD1-CG 3.88Å; F771-F799 HydrophobicContact CD1-CZ 4.31Å; F771-F799 HydrophobicContact CD2-CB 4.01Å; F771-F799 AromaticContact CD2-CD2 3.97Å; F771-F799 HydrophobicContact CD2-CD2 3.97Å; F771-F799 HydrophobicContact CD2-CG 4.01Å; F771-F799 HydrophobicContact CE1-CB 4.31Å; F771-F799 HydrophobicContact CE1-CD1 4.02Å; F771-F799 HydrophobicContact CE1-CG 4.1Å; F771-F799 HydrophobicContact CE2-CB 3.82Å; F771-F799 HydrophobicContact CE2-CG 4.22Å; F771-F799 HydrophobicContact CG-CB 4.32Å; F771-F799 HydrophobicContact CG-CD1 4.29Å; F771-F799 AromaticContact CG-CD2 3.68Å; F771-F799 HydrophobicContact CG-CD2 3.68Å; F771-F799 HydrophobicContact CG-CE2 4Å; F771-F799 AromaticContact CG-CG 3.82Å; F771-F799 HydrophobicContact CG-CG 3.82Å; F771-F799 HydrophobicContact CG-CZ 4.44Å; F771-F799 HydrophobicContact CZ-CB 3.99Å; F771-F799 HydrophobicContact CZ-CG 4.26Å; H780-F799 HydrophobicContact CB-CD2 4.11Å; H780-F799 HydrophobicContact CB-CE2 4.24Å; H780-F799 AromaticContact CD2-CD2 3.56Å; H780-F799 AromaticContact CG-CD2 3.88Å; A795-F799 PolarHBondContact O-N 2.85Å; L796-F799 HydrophobicContact CD1-CD1 4.14Å; L796-F799 PolarHBondContact O-N 3.15Å; F799-S801 VanDerWaalsContact C-N 3.34Å; F799-S801 PolarHBondContact O-N 3Å; F799-R802 PolarHBondContact O-N 3.25Å; F799-R802 VanDerWaalsContact O-N 3.13Å; F799-R803 HydrophobicContact CD2-CB 4.14Å; F799-R803 HydrophobicContact CD2-CG 3.79Å; F799-R803 HydrophobicContact CE2-CB 3.77Å; F799-R803 HydrophobicContact CE2-CG 3.62Å; F799-R803 HydrophobicContact CZ-CB 4.09Å; F799-R803 HydrophobicContact CZ-CG 4.43Å; F799-R803 WeakPolarHBondContact O-CB 3.23Å; F799-R803 PolarHBondContact O-N 3.45Å; F799-P806 HydrophobicContact CE1-CG 4.06Å
800M95Very high93.7Very high58 Ų5874.6 Ų74.629%0.28637%0.371SS..Hα-helixtrans-64.3-36.5-177.9-71.3-173.8-60.500112.8L796 R797 R802 G804 K805L796-M800 HydrophobicContact CD1-CE 4.44Å; L796-M800 HydrophobicContact CD1-CG 4.2Å; L796-M800 HydrophobicContact CD1-SD 4.31Å; L796-M800 HydrophobicContact CD2-CE 4.44Å; L796-M800 HydrophobicContact CG-CE 3.86Å; L796-M800 HydrophobicContact CG-SD 4.33Å; L796-M800 WeakPolarHBondContact O-CB 3.46Å; L796-M800 WeakPolarHBondContact O-CG 3.28Å; L796-M800 PolarHBondContact O-N 2.96Å; R797-M800 HydrophobicContact CG-CE 4.49Å; R797-M800 PolarHBondContact O-N 3.1Å; M800-R802 PolarHBondContact O-N 3.47Å; M800-G804 WeakPolarHBondContact CA-O 3.44Å; M800-G804 CarbonylContact O-C 3.6Å; M800-G804 VanDerWaalsContact O-CA 3.23Å; M800-G804 WeakPolarHBondContact O-CA 3.47Å; M800-G804 PolarHBondContact O-N 3.45Å; M800-K805 HydrophobicContact SD-CG 4.36Å
801S94.9Very high93.7Very high104 Ų10470.3 Ų70.373%0.72736%0.357SS*.Hα-helixtrans-66.2-25.7177.369.20000112.9R797 R798 F799R797-S801 WeakPolarHBondContact O-CB 3.43Å; R797-S801 PolarHBondContact O-N 2.81Å; R797-S801 PolarHBondContact O-OG 2.93Å; R798-S801 PolarHBondContact O-OG 2.87Å; F799-S801 VanDerWaalsContact C-N 3.34Å; F799-S801 PolarHBondContact O-N 3Å
802R95.8Very high93.3Very high189 Ų18972.9 Ų72.971%0.71337%0.37SS*.Hα-helixtrans-100.2-28.2-178.9-166.1142-179.988.6-2.8114.2R798 F799 M800R798-R802 PolarHBondContact O-N 3.15Å; F799-R802 PolarHBondContact O-N 3.25Å; F799-R802 VanDerWaalsContact O-N 3.13Å; M800-R802 PolarHBondContact O-N 3.47Å
803R94.4Very high92.8Very high112 Ų11278.7 Ų78.742%0.42340%0.402SS..Hα-helixtrans-113.3-5.4-174.9-58.9-54.4-169.8-171.63.9114.1F744 H780 F799F744-R803 HydrophobicContact CB-CB 4.2Å; F744-R803 HydrophobicContact CD2-CB 4.19Å; F744-R803 HydrophobicContact CD2-CG 4.16Å; F744-R803 HydrophobicContact CE2-CG 4.31Å; F744-R803 HydrophobicContact CG-CB 4.11Å; F744-R803 HydrophobicContact CG-CG 4.29Å; H780-R803 PolarHBondContact ND1-NE 2.91Å; F799-R803 HydrophobicContact CD2-CB 4.14Å; F799-R803 HydrophobicContact CD2-CG 3.79Å; F799-R803 HydrophobicContact CE2-CB 3.77Å; F799-R803 HydrophobicContact CE2-CG 3.62Å; F799-R803 HydrophobicContact CZ-CB 4.09Å; F799-R803 HydrophobicContact CZ-CG 4.43Å; F799-R803 WeakPolarHBondContact O-CB 3.23Å; F799-R803 PolarHBondContact O-N 3.45Å
804G91.8Very high92.3Very high38 Ų3880.5 Ų80.539%0.39241%0.408SS..  trans83.7169.6-170.300000111.9M800 P806M800-G804 WeakPolarHBondContact CA-O 3.44Å; M800-G804 CarbonylContact O-C 3.6Å; M800-G804 VanDerWaalsContact O-CA 3.23Å; M800-G804 WeakPolarHBondContact O-CA 3.47Å; M800-G804 PolarHBondContact O-N 3.45Å; G804-P806 WeakPolarHBondContact O-CD 3.35Å
805K92.2Very high91.8Very high165 Ų16586.4 Ų86.472%0.71743%0.425SS*.  trans-76.5120.4179-176.7-176.8174.8-1760109.4M800M800-K805 HydrophobicContact SD-CG 4.36Å
806P92.8Very high91.4Very high12 Ų1287.1 Ų87.18%0.07843%0.43CS..  trans-66.7145.3171.728.8-34.1000110.1F744 E745 F799 G804 I809F744-P806 WeakPolarHBondContact O-CB 3.12Å; E745-P806 CarbonylContact O-C 3.55Å; E745-P806 WeakPolarHBondContact O-CA 3.02Å; F799-P806 HydrophobicContact CE1-CG 4.06Å; G804-P806 WeakPolarHBondContact O-CD 3.35Å; P806-I809 HydrophobicContact CB-CG1 3.97Å; P806-I809 HydrophobicContact CG-CD1 3.54Å; P806-I809 HydrophobicContact CG-CG1 3.41Å; P806-I809 VanDerWaalsContact CG-CG1 3.41Å
807A90.3Very high91.3Very high81 Ų8187.1 Ų87.167%0.66943%0.43SS*.SBendtrans-72.7-34.1169.600000111.1E745E745-A807 HydrophobicContact CG-CB 3.73Å; E745-A807 PolarHBondContact O-N 3.32Å
808C89.9Confident91.1Very high66 Ų6684.4 Ų84.445%0.44642%0.423SS..EExtended strand (participates in β ladder)trans-142.2133.3178.8-178.70000111.2E745 T747E745-C808 PolarHBondContact O-N 3.09Å; E745-C808 VanDerWaalsContact O-N 3.15Å; T747-C808 PolarHBondContact N-O 2.82Å
809I91.8Very high90.8Very high62 Ų6281.8 Ų81.832%0.31842%0.42SS..EExtended strand (participates in β ladder)trans-115.1124.7168.4-56.7178.5000108.4T747 V749 L796 P806T747-I809 CarbonylContact O-C 3.56Å; T747-I809 VanDerWaalsContact O-CA 3.23Å; T747-I809 WeakPolarHBondContact O-CA 3.42Å; V749-I809 HydrophobicContact CB-CG2 4.08Å; V749-I809 HydrophobicContact CG1-CG2 3.56Å; L796-I809 HydrophobicContact CD1-CD1 3.41Å; L796-I809 VanDerWaalsContact CD1-CD1 3.41Å; L796-I809 HydrophobicContact CD2-CD1 4.41Å; P806-I809 HydrophobicContact CB-CG1 3.97Å; P806-I809 HydrophobicContact CG-CD1 3.54Å; P806-I809 HydrophobicContact CG-CG1 3.41Å; P806-I809 VanDerWaalsContact CG-CG1 3.41Å
810Q89.5Confident90.4Very high104 Ų10481.9 Ų81.949%0.48642%0.42SS..EExtended strand (participates in β ladder)trans-107.4124173.5-168.2176.5-3.200109.8T747 G748 V749 M774T747-Q810 PolarHBondContact O-N 3.3Å; G748-Q810 CarbonylContact C-O 3.42Å; G748-Q810 VanDerWaalsContact CA-O 3.27Å; G748-Q810 WeakPolarHBondContact CA-O 3.16Å; V749-Q810 PolarHBondContact N-O 3.38Å; M774-Q810 HydrophobicContact CE-CB 3.32Å; M774-Q810 HydrophobicContact CE-CG 4.21Å
811S91.5Very high90.3Very high54 Ų5482.8 Ų82.838%0.37843%0.426SS..  trans-121.1172.217471.30000110.5F817S811-F817 VanDerWaalsContact CB-CD2 3.44Å; S811-F817 WeakPolarHBondContact OG-CB 3.36Å
812D85.6Confident90.1Very high82 Ų8283.6 Ų83.644%0.43942%0.419SS..  trans-74.6-176.6161.577.8-15.4000111.1F814 F817D812-F814 PolarHBondContact O-N 3.17Å; D812-F814 WeakPolarHBondContact OD1-CB 3.45Å; D812-F814 PolarHBondContact OD1-N 2.95Å; D812-F814 VanDerWaalsContact OD1-N 3.13Å; D812-F817 WeakPolarHBondContact OD1-CD2 3.31Å; D812-F817 VanDerWaalsContact OD1-CE2 3.23Å; D812-F817 WeakPolarHBondContact OD1-CE2 3.37Å
813N84.4Confident89.7Confident131 Ų13178.4 Ų78.470%0.70140%0.403SS*.SBendtrans-82.721.6-178.6-83.7-46.1000113.7K818N813-K818 WeakPolarHBondContact OD1-CE 3.11Å; N813-K818 PolarHBondContact OD1-NZ 2.88Å
814F83.3Confident89.3Confident76 Ų7676 Ų7633%0.33340%0.397SS..  trans-60.1139.7-179.3-162.5-107.4000111.6M787 D812 S816 F817 K818M787-F814 HydrophobicContact CB-CE1 3.97Å; M787-F814 HydrophobicContact CB-CZ 4.37Å; M787-F814 HydrophobicContact CE-CD1 4.18Å; M787-F814 HydrophobicContact CE-CD2 4.46Å; M787-F814 HydrophobicContact CE-CE1 3.53Å; M787-F814 HydrophobicContact CE-CE2 3.86Å; M787-F814 HydrophobicContact CE-CZ 3.35Å; M787-F814 HydrophobicContact SD-CE1 4.49Å; M787-F814 HydrophobicContact SD-CZ 4.15Å; D812-F814 PolarHBondContact O-N 3.17Å; D812-F814 WeakPolarHBondContact OD1-CB 3.45Å; D812-F814 PolarHBondContact OD1-N 2.95Å; D812-F814 VanDerWaalsContact OD1-N 3.13Å; F814-S816 VanDerWaalsContact C-N 3.25Å; F814-S816 WeakPolarHBondContact CE1-OG 3.39Å; F814-S816 PolarHBondContact O-N 3.32Å; F814-F817 HydrophobicContact CB-CD2 3.63Å; F814-F817 HydrophobicContact CB-CE2 3.97Å; F814-F817 HydrophobicContact CB-CG 4.44Å; F814-F817 PolarHBondContact O-N 3.47Å; F814-K818 PolarHBondContact O-N 2.97Å
815R86.1Confident89.1Confident220 Ų22080.3 Ų80.383%0.8341%0.405SS*.Hα-helixtrans-57.5-38.1-170.2-69.3-173.7179.5-159.1-0.8112.9F817 K818 A819R815-F817 VanDerWaalsContact C-N 3.35Å; R815-K818 PolarHBondContact O-N 2.73Å; R815-A819 WeakPolarHBondContact O-CB 3.38Å; R815-A819 PolarHBondContact O-N 3.15Å
816S87.5Confident88.8Confident15 Ų1579.1 Ų79.111%0.10540%0.396CS..Hα-helixtrans-69.2-32.3-178.9-48.80000112.7M787 F814 A820M787-S816 WeakPolarHBondContact O-CB 3.38Å; M787-S816 PolarHBondContact O-OG 3.26Å; F814-S816 VanDerWaalsContact C-N 3.25Å; F814-S816 WeakPolarHBondContact CE1-OG 3.39Å; F814-S816 PolarHBondContact O-N 3.32Å; S816-A820 VanDerWaalsContact O-CB 3.27Å; S816-A820 WeakPolarHBondContact O-CB 3.42Å; S816-A820 PolarHBondContact O-N 3.33Å
817F91.4Very high88.2Confident9 Ų982.8 Ų82.84%0.03942%0.415CS..Hα-helixtrans-70.9-42.9174-60.1-40.1000111.2V749 F751 F792 S811 D812 F814 R815 A820 D821V749-F817 HydrophobicContact CG1-CE1 4.26Å; V749-F817 HydrophobicContact CG1-CZ 4.3Å; V749-F817 HydrophobicContact CG2-CE1 4.44Å; V749-F817 HydrophobicContact CG2-CZ 4.49Å; F751-F817 AromaticContact CD2-CE1 3.9Å; F751-F817 HydrophobicContact CD2-CE1 3.9Å; F751-F817 HydrophobicContact CD2-CE2 4.24Å; F751-F817 AromaticContact CD2-CZ 3.45Å; F751-F817 HydrophobicContact CD2-CZ 3.45Å; F751-F817 VanDerWaalsContact CD2-CZ 3.45Å; F751-F817 HydrophobicContact CE2-CD1 4.37Å; F751-F817 AromaticContact CE2-CE1 3.44Å; F751-F817 HydrophobicContact CE2-CE1 3.44Å; F751-F817 VanDerWaalsContact CE2-CE1 3.44Å; F751-F817 HydrophobicContact CE2-CE2 4.5Å; F751-F817 AromaticContact CE2-CZ 3.53Å; F751-F817 HydrophobicContact CE2-CZ 3.53Å; F751-F817 HydrophobicContact CG-CZ 4.4Å; F751-F817 HydrophobicContact CZ-CE1 4.18Å; F792-F817 HydrophobicContact CD1-CD1 4Å; F792-F817 HydrophobicContact CD1-CE1 4.46Å; F792-F817 AromaticContact CD2-CD1 3.91Å; F792-F817 HydrophobicContact CD2-CD1 3.91Å; F792-F817 AromaticContact CD2-CE1 3.53Å; F792-F817 HydrophobicContact CD2-CE1 3.53Å; F792-F817 AromaticContact CE1-CD1 3.8Å; F792-F817 HydrophobicContact CE1-CD1 3.8Å; F792-F817 HydrophobicContact CE1-CE1 4.35Å; F792-F817 AromaticContact CE2-CD1 3.72Å; F792-F817 HydrophobicContact CE2-CD1 3.72Å; F792-F817 AromaticContact CE2-CE1 3.41Å; F792-F817 HydrophobicContact CE2-CE1 3.41Å; F792-F817 VanDerWaalsContact CE2-CE1 3.41Å; F792-F817 HydrophobicContact CG-CD1 4.04Å; F792-F817 HydrophobicContact CG-CE1 4.06Å; F792-F817 AromaticContact CZ-CD1 3.65Å; F792-F817 HydrophobicContact CZ-CD1 3.65Å; F792-F817 AromaticContact CZ-CE1 3.85Å; F792-F817 HydrophobicContact CZ-CE1 3.85Å; S811-F817 VanDerWaalsContact CB-CD2 3.44Å; S811-F817 WeakPolarHBondContact OG-CB 3.36Å; D812-F817 WeakPolarHBondContact OD1-CD2 3.31Å; D812-F817 VanDerWaalsContact OD1-CE2 3.23Å; D812-F817 WeakPolarHBondContact OD1-CE2 3.37Å; F814-F817 HydrophobicContact CB-CD2 3.63Å; F814-F817 HydrophobicContact CB-CE2 3.97Å; F814-F817 HydrophobicContact CB-CG 4.44Å; F814-F817 PolarHBondContact O-N 3.47Å; R815-F817 VanDerWaalsContact C-N 3.35Å; F817-A820 PolarHBondContact O-N 3.48Å; F817-D821 PolarHBondContact O-N 3.42Å
818K90.6Very high87.7Confident107 Ų10783.7 Ų83.747%0.46540%0.404SS..Hα-helixtrans-60.6-46.9174.7-67.9-164.6176.1-166.60112.3N813 F814 R815 A820 D821 E822N813-K818 WeakPolarHBondContact OD1-CE 3.11Å; N813-K818 PolarHBondContact OD1-NZ 2.88Å; F814-K818 PolarHBondContact O-N 2.97Å; R815-K818 PolarHBondContact O-N 2.73Å; K818-A820 VanDerWaalsContact C-N 3.28Å; K818-A820 PolarHBondContact O-N 3.22Å; K818-D821 WeakPolarHBondContact O-CB 3.41Å; K818-D821 PolarHBondContact O-N 3.06Å; K818-E822 PolarHBondContact O-N 3.49Å
819A90.3Very high87.3Confident33 Ų3384.7 Ų84.727%0.27342%0.417SS..Hα-helixtrans-63.1-35.7176.600000112.1T789 R815 E823T789-A819 HydrophobicContact CG2-CB 3.88Å; T789-A819 WeakPolarHBondContact OG1-CB 3.27Å; R815-A819 WeakPolarHBondContact O-CB 3.38Å; R815-A819 PolarHBondContact O-N 3.15Å; A819-E823 WeakPolarHBondContact O-CB 3.41Å; A819-E823 PolarHBondContact O-N 2.8Å
820A90.6Very high86.6Confident1 Ų186.3 Ų86.31%0.00843%0.434CS..Hα-helixtrans-68.2-39.8175.900000112.2T789 F792 I793 S816 F817 K818 E823 I824T789-A820 HydrophobicContact CG2-CB 3.86Å; F792-A820 HydrophobicContact CD1-CB 3.52Å; F792-A820 HydrophobicContact CE1-CB 3.69Å; I793-A820 HydrophobicContact CD1-CB 4.38Å; I793-A820 HydrophobicContact CG1-CB 4.09Å; S816-A820 VanDerWaalsContact O-CB 3.27Å; S816-A820 WeakPolarHBondContact O-CB 3.42Å; S816-A820 PolarHBondContact O-N 3.33Å; F817-A820 PolarHBondContact O-N 3.48Å; K818-A820 VanDerWaalsContact C-N 3.28Å; K818-A820 PolarHBondContact O-N 3.22Å; A820-E823 PolarHBondContact O-N 3.41Å; A820-I824 WeakPolarHBondContact O-CB 3.35Å; A820-I824 WeakPolarHBondContact O-CD1 3.34Å; A820-I824 WeakPolarHBondContact O-CG1 3.25Å; A820-I824 PolarHBondContact O-N 2.96Å
821D91.8Very high85.9Confident77 Ų7783.9 Ų83.941%0.41243%0.426SS..Hα-helixtrans-59.3-47.3173.8176.455.6000111.3F817 K818 E823 I824 K825F817-D821 PolarHBondContact O-N 3.42Å; K818-D821 WeakPolarHBondContact O-CB 3.41Å; K818-D821 PolarHBondContact O-N 3.06Å; D821-E823 PolarHBondContact O-N 2.96Å; D821-I824 PolarHBondContact O-N 2.92Å; D821-K825 WeakPolarHBondContact O-CB 3.48Å; D821-K825 WeakPolarHBondContact O-CG 3.24Å; D821-K825 PolarHBondContact O-N 3.35Å; D821-K825 VanDerWaalsContact OD1-CE 3.28Å; D821-K825 WeakPolarHBondContact OD1-CE 3.37Å; D821-K825 IonicContact OD1-NZ 3.81Å; D821-K825 PolarHBondContact OD1-NZ 3.3Å; D821-K825 WeakPolarHBondContact OD2-CE 3.42Å; D821-K825 IonicContact OD2-NZ 2.71Å; D821-K825 PolarHBondContact OD2-NZ 3.14Å
822E90.9Very high85.2Confident121 Ų12184.2 Ų84.257%0.56543%0.428SS*.Hα-helixtrans-61.1-43.7175.6-71.8177.1-175.100112.6K818 K825 R826K818-E822 PolarHBondContact O-N 3.49Å; E822-K825 PolarHBondContact O-N 3.22Å; E822-R826 WeakPolarHBondContact O-CB 3.38Å; E822-R826 PolarHBondContact O-N 2.93Å
823E88.1Confident84.7Confident81 Ų8186.5 Ų86.538%0.37944%0.435SS..Hα-helixtrans-64.4-42.8179.3-166.464.3-156.600111.6I793 A819 A820 D821 R826 L827I793-E823 HydrophobicContact CD1-CB 4.37Å; I793-E823 HydrophobicContact CD1-CG 4.24Å; A819-E823 WeakPolarHBondContact O-CB 3.41Å; A819-E823 PolarHBondContact O-N 2.8Å; A820-E823 PolarHBondContact O-N 3.41Å; D821-E823 PolarHBondContact O-N 2.96Å; E823-R826 PolarHBondContact O-N 2.99Å; E823-R826 IonicContact OE1-NH1 2.93Å; E823-R826 PolarHBondContact OE1-NH1 3.39Å; E823-R826 IonicContact OE2-CZ 2.87Å; E823-R826 VanDerWaalsContact OE2-CZ 3.3Å; E823-R826 IonicContact OE2-NH1 3.68Å; E823-R826 PolarHBondContact OE2-NH1 3.44Å; E823-R826 IonicContact OE2-NH2 3.65Å; E823-R826 PolarHBondContact OE2-NH2 3.16Å; E823-L827 WeakPolarHBondContact O-CB 3.46Å; E823-L827 PolarHBondContact O-N 3.16Å
824I86.2Confident84.5Confident61 Ų6186.2 Ų86.231%0.31343%0.433SS..Hα-helixtrans-64-45.3177.1-69.4165.5000110.2L796 A820 D821 R826 L827 F828L796-I824 HydrophobicContact CD2-CD1 4.06Å; A820-I824 WeakPolarHBondContact O-CB 3.35Å; A820-I824 WeakPolarHBondContact O-CD1 3.34Å; A820-I824 WeakPolarHBondContact O-CG1 3.25Å; A820-I824 PolarHBondContact O-N 2.96Å; D821-I824 PolarHBondContact O-N 2.92Å; I824-R826 VanDerWaalsContact C-N 3.32Å; I824-R826 PolarHBondContact O-N 3.37Å; I824-L827 PolarHBondContact O-N 3Å; I824-F828 HydrophobicContact CG2-CD2 3.83Å; I824-F828 HydrophobicContact CG2-CE2 3.79Å; I824-F828 VanDerWaalsContact O-CD2 3.31Å; I824-F828 WeakPolarHBondContact O-CD2 3.47Å; I824-F828 PolarHBondContact O-N 3.31Å
825K87.3Confident84.2Confident128 Ų12891.3 Ų91.356%0.55745%0.45SS*.Hα-helixtrans-58.3-44.2175.9-77169.8177.31650111.9D821 E822 L827 F828 A829D821-K825 WeakPolarHBondContact O-CB 3.48Å; D821-K825 WeakPolarHBondContact O-CG 3.24Å; D821-K825 PolarHBondContact O-N 3.35Å; D821-K825 VanDerWaalsContact OD1-CE 3.28Å; D821-K825 WeakPolarHBondContact OD1-CE 3.37Å; D821-K825 IonicContact OD1-NZ 3.81Å; D821-K825 PolarHBondContact OD1-NZ 3.3Å; D821-K825 WeakPolarHBondContact OD2-CE 3.42Å; D821-K825 IonicContact OD2-NZ 2.71Å; D821-K825 PolarHBondContact OD2-NZ 3.14Å; E822-K825 PolarHBondContact O-N 3.22Å; K825-L827 VanDerWaalsContact C-N 3.33Å; K825-L827 PolarHBondContact O-N 3.11Å; K825-F828 PolarHBondContact O-N 2.94Å; K825-A829 PolarHBondContact O-N 2.99Å
826R85.3Confident83.7Confident141 Ų14183.9 Ų83.953%0.53243%0.429SS..Hα-helixtrans-63.2-39.9178.3-158.5-170.8-52.5129.511111.8E822 E823 I824 A829 S830E822-R826 WeakPolarHBondContact O-CB 3.38Å; E822-R826 PolarHBondContact O-N 2.93Å; E823-R826 PolarHBondContact O-N 2.99Å; E823-R826 IonicContact OE1-NH1 2.93Å; E823-R826 PolarHBondContact OE1-NH1 3.39Å; E823-R826 IonicContact OE2-CZ 2.87Å; E823-R826 VanDerWaalsContact OE2-CZ 3.3Å; E823-R826 IonicContact OE2-NH1 3.68Å; E823-R826 PolarHBondContact OE2-NH1 3.44Å; E823-R826 IonicContact OE2-NH2 3.65Å; E823-R826 PolarHBondContact OE2-NH2 3.16Å; I824-R826 VanDerWaalsContact C-N 3.32Å; I824-R826 PolarHBondContact O-N 3.37Å; R826-A829 PolarHBondContact O-N 3.18Å; R826-S830 PolarHBondContact O-N 2.75Å; R826-S830 VanDerWaalsContact O-N 3.09Å; R826-S830 PolarHBondContact O-OG 2.97Å
827L81Confident83.3Confident89 Ų8989.1 Ų89.147%0.46645%0.452SS..Hα-helixtrans-64.8-39.4177.5-171.3136000112E823 I824 K825 S830 V831E823-L827 WeakPolarHBondContact O-CB 3.46Å; E823-L827 PolarHBondContact O-N 3.16Å; I824-L827 PolarHBondContact O-N 3Å; K825-L827 VanDerWaalsContact C-N 3.33Å; K825-L827 PolarHBondContact O-N 3.11Å; L827-S830 PolarHBondContact O-OG 2.88Å; L827-V831 WeakPolarHBondContact O-CG2 3.5Å; L827-V831 PolarHBondContact O-N 3.1Å
828F79.3Confident82.8Confident99 Ų9992.5 Ų92.543%0.43447%0.47SS..Hα-helixtrans-71.3-30.3174.3-82.1-75.1000113.2I824 K825 F833I824-F828 HydrophobicContact CG2-CD2 3.83Å; I824-F828 HydrophobicContact CG2-CE2 3.79Å; I824-F828 VanDerWaalsContact O-CD2 3.31Å; I824-F828 WeakPolarHBondContact O-CD2 3.47Å; I824-F828 PolarHBondContact O-N 3.31Å; K825-F828 PolarHBondContact O-N 2.94Å; F828-F833 HydrophobicContact CD1-CZ 4.17Å
829A81.4Confident82.3Confident88 Ų8891.3 Ų91.373%0.72747%0.469SS*.Hα-helixtrans-73.5-27.917700000113.4K825 R826K825-A829 PolarHBondContact O-N 2.99Å; R826-A829 PolarHBondContact O-N 3.18Å
830S77.5Confident81.8Confident96 Ų9693.2 Ų93.267%0.67147%0.474SS*.Hα-helixtrans-88.8-13.6-178.964.60000114.3R826 L827 S832R826-S830 PolarHBondContact O-N 2.75Å; R826-S830 VanDerWaalsContact O-N 3.09Å; R826-S830 PolarHBondContact O-OG 2.97Å; L827-S830 PolarHBondContact O-OG 2.88Å; S830-S832 PolarHBondContact O-N 3.06Å
831V73.4Confident81.3Confident52 Ų5296.3 Ų96.332%0.31550%0.496SS..SBendtrans-80.9119.1179.3170.10000109.6L827 F833 V836L827-V831 WeakPolarHBondContact O-CG2 3.5Å; L827-V831 PolarHBondContact O-N 3.1Å; V831-F833 PolarHBondContact O-N 3.24Å; V831-F833 VanDerWaalsContact O-N 3.1Å; V831-V836 HydrophobicContact CG1-CG2 3.4Å
832S76.7Confident81Confident62 Ų6298.9 Ų98.943%0.43450%0.503SS..  trans-69.6104.2166.3167.80000108.6S830 D834 R835 V836S830-S832 PolarHBondContact O-N 3.06Å; S832-D834 PolarHBondContact O-N 3.42Å; S832-R835 PolarHBondContact O-N 2.91Å; S832-R835 VanDerWaalsContact O-N 3.09Å; S832-R835 PolarHBondContact OG-N 3.44Å; S832-V836 PolarHBondContact O-N 3.22Å; S832-V836 VanDerWaalsContact O-N 3.14Å
833F76.2Confident80.5Confident129 Ų12999 Ų9957%0.56651%0.508SS*.Hα-helixtrans-57.9-35.8177.2-75.5-81.6000111.8F828 V831 R835 V836 Q837F828-F833 HydrophobicContact CD1-CZ 4.17Å; V831-F833 PolarHBondContact O-N 3.24Å; V831-F833 VanDerWaalsContact O-N 3.1Å; F833-R835 VanDerWaalsContact C-N 3.26Å; F833-R835 PolarHBondContact O-N 3.13Å; F833-V836 PolarHBondContact O-N 3.1Å; F833-V836 VanDerWaalsContact O-N 3.16Å; F833-Q837 VanDerWaalsContact O-CB 3.32Å; F833-Q837 WeakPolarHBondContact O-CB 3.46Å; F833-Q837 PolarHBondContact O-N 2.99Å
834D78.9Confident79.6Confident125 Ų125106.3 Ų106.367%0.66853%0.532SS*.Hα-helixtrans-56.8-42.4175.2-54.8-34.5000111.7S832 Q837 D838S832-D834 PolarHBondContact O-N 3.42Å; D834-Q837 PolarHBondContact O-N 3.2Å; D834-D838 WeakPolarHBondContact O-CB 3.5Å; D834-D838 PolarHBondContact O-N 2.91Å
835R77Confident78.1Confident183 Ų183111 Ų11169%0.69156%0.556SS**Hα-helixtrans-74.3-31.2-179.2-159.6178164.4-163.4-6112.5S832 F833 N839S832-R835 PolarHBondContact O-N 2.91Å; S832-R835 VanDerWaalsContact O-N 3.09Å; S832-R835 PolarHBondContact OG-N 3.44Å; F833-R835 VanDerWaalsContact C-N 3.26Å; F833-R835 PolarHBondContact O-N 3.13Å; R835-N839 PolarHBondContact O-N 3.36Å; R835-N839 PolarHBondContact O-ND2 2.92Å
836V76.9Confident77.7Confident64 Ų64110.2 Ų110.239%0.38856%0.556SS.*Hα-helixtrans-69.4-46.1171.5175.90000109.9V831 S832 F833 N839 L840V831-V836 HydrophobicContact CG1-CG2 3.4Å; S832-V836 PolarHBondContact O-N 3.22Å; S832-V836 VanDerWaalsContact O-N 3.14Å; F833-V836 PolarHBondContact O-N 3.1Å; F833-V836 VanDerWaalsContact O-N 3.16Å; V836-N839 PolarHBondContact O-N 2.89Å; V836-L840 HydrophobicContact CG1-CD1 3.97Å; V836-L840 HydrophobicContact CG1-CG 4.38Å; V836-L840 WeakPolarHBondContact O-CG 3.36Å; V836-L840 PolarHBondContact O-N 3.22Å
837Q77.9Confident77.3Confident126 Ų126108.5 Ų108.559%0.58956%0.557SS**Hα-helixtrans-60.6-45.8177.5-175.6173.1-1600111.1F833 D834 N839 L840 S841F833-Q837 VanDerWaalsContact O-CB 3.32Å; F833-Q837 WeakPolarHBondContact O-CB 3.46Å; F833-Q837 PolarHBondContact O-N 2.99Å; D834-Q837 PolarHBondContact O-N 3.2Å; Q837-N839 VanDerWaalsContact C-N 3.31Å; Q837-N839 PolarHBondContact O-N 2.88Å; Q837-L840 PolarHBondContact O-N 3.17Å; Q837-S841 WeakPolarHBondContact O-CB 3.31Å; Q837-S841 PolarHBondContact O-N 3.38Å; Q837-S841 PolarHBondContact O-OG 3.19Å
838D80.6Confident77.1Confident80 Ų80109.6 Ų109.643%0.42856%0.562SS.*Hα-helixtrans-58.8-39.7176.1-176.352.6000112.3D834 S841 K842D834-D838 WeakPolarHBondContact O-CB 3.5Å; D834-D838 PolarHBondContact O-N 2.91Å; D838-S841 WeakPolarHBondContact O-CB 3.45Å; D838-S841 PolarHBondContact O-N 3.49Å; D838-K842 WeakPolarHBondContact O-CG 2.95Å; D838-K842 PolarHBondContact O-N 3.29Å; D838-K842 VanDerWaalsContact O-N 3.14Å; D838-K842 VanDerWaalsContact OD2-CE 3.31Å; D838-K842 WeakPolarHBondContact OD2-CE 3.08Å; D838-K842 IonicContact OD2-NZ 2.81Å; D838-K842 PolarHBondContact OD2-NZ 2.85Å
839N80.1Confident77Confident82 Ų82110.2 Ų110.244%0.43957%0.57SS.*Hα-helixtrans-70.7-41.6176.1-75.6-39.7000113.1R835 V836 Q837 S841 K842 D843R835-N839 PolarHBondContact O-N 3.36Å; R835-N839 PolarHBondContact O-ND2 2.92Å; V836-N839 PolarHBondContact O-N 2.89Å; Q837-N839 VanDerWaalsContact C-N 3.31Å; Q837-N839 PolarHBondContact O-N 2.88Å; N839-S841 VanDerWaalsContact C-N 3.28Å; N839-S841 PolarHBondContact O-N 2.96Å; N839-K842 WeakPolarHBondContact O-CB 3.04Å; N839-K842 PolarHBondContact O-N 2.81Å; N839-D843 PolarHBondContact O-N 2.79Å
840L81Confident76.7Confident73 Ų73111.6 Ų111.638%0.38256%0.56SS.*Hα-helixtrans-62.9-38.7174.3-67.8173.6000111.1V836 Q837 K842 D843 R844 I845V836-L840 HydrophobicContact CG1-CD1 3.97Å; V836-L840 HydrophobicContact CG1-CG 4.38Å; V836-L840 WeakPolarHBondContact O-CG 3.36Å; V836-L840 PolarHBondContact O-N 3.22Å; Q837-L840 PolarHBondContact O-N 3.17Å; L840-K842 VanDerWaalsContact C-N 3.31Å; L840-K842 PolarHBondContact O-N 3.25Å; L840-D843 CarbonylContact O-C 3.34Å; L840-D843 PolarHBondContact O-N 2.89Å; L840-D843 VanDerWaalsContact O-N 3.08Å; L840-R844 PolarHBondContact O-N 3.08Å; L840-I845 HydrophobicContact CB-CB 4.38Å; L840-I845 HydrophobicContact CD2-CB 4.16Å; L840-I845 HydrophobicContact CD2-CD1 4.23Å; L840-I845 HydrophobicContact CD2-CG2 4.26Å; L840-I845 PolarHBondContact O-N 3.39Å
841S80.5Confident76.6Confident65 Ų65112.7 Ų112.746%0.45555%0.553SS.*Hα-helixtrans-59.5-39.4176-53.40000112.3Q837 D838 N839 D843 R844Q837-S841 WeakPolarHBondContact O-CB 3.31Å; Q837-S841 PolarHBondContact O-N 3.38Å; Q837-S841 PolarHBondContact O-OG 3.19Å; D838-S841 WeakPolarHBondContact O-CB 3.45Å; D838-S841 PolarHBondContact O-N 3.49Å; N839-S841 VanDerWaalsContact C-N 3.28Å; N839-S841 PolarHBondContact O-N 2.96Å; S841-D843 VanDerWaalsContact C-N 3.27Å; S841-D843 PolarHBondContact O-N 2.99Å; S841-R844 PolarHBondContact O-N 3.36Å; S841-R844 VanDerWaalsContact O-N 3.11Å
842K83.9Confident76.8Confident131 Ų131117 Ų11757%0.5757%0.57SS**Hα-helixtrans-62.1-35.5176.4-74.1167.7-167.8155.50112.2D838 N839 L840 R844D838-K842 WeakPolarHBondContact O-CG 2.95Å; D838-K842 PolarHBondContact O-N 3.29Å; D838-K842 VanDerWaalsContact O-N 3.14Å; D838-K842 VanDerWaalsContact OD2-CE 3.31Å; D838-K842 WeakPolarHBondContact OD2-CE 3.08Å; D838-K842 IonicContact OD2-NZ 2.81Å; D838-K842 PolarHBondContact OD2-NZ 2.85Å; N839-K842 WeakPolarHBondContact O-CB 3.04Å; N839-K842 PolarHBondContact O-N 2.81Å; L840-K842 VanDerWaalsContact C-N 3.31Å; L840-K842 PolarHBondContact O-N 3.25Å; K842-R844 VanDerWaalsContact C-N 3.35Å
843D81.4Confident76.9Confident124 Ų124121.2 Ų121.266%0.66358%0.58SS**THydrogen-bonded Turntrans-90.20.8177.2-65.5-27.3000113N839 L840 S841 I845N839-D843 PolarHBondContact O-N 2.79Å; L840-D843 CarbonylContact O-C 3.34Å; L840-D843 PolarHBondContact O-N 2.89Å; L840-D843 VanDerWaalsContact O-N 3.08Å; S841-D843 VanDerWaalsContact C-N 3.27Å; S841-D843 PolarHBondContact O-N 2.99Å; D843-I845 HydrophobicContact CB-CD1 4.22Å; D843-I845 HydrophobicContact CB-CG1 4.17Å; D843-I845 PolarHBondContact O-N 3.29Å
844R69.2Low76.9Confident234 Ų234120.6 Ų120.688%0.88358%0.581SS**THydrogen-bonded Turntrans55.335.5-175.9-56.1-177.6178.8-173.8-0.6113.8L840 S841 K842L840-R844 PolarHBondContact O-N 3.08Å; S841-R844 PolarHBondContact O-N 3.36Å; S841-R844 VanDerWaalsContact O-N 3.11Å; K842-R844 VanDerWaalsContact C-N 3.35Å
845I55.7Low76.7Confident160 Ų160120.2 Ų120.282%0.82157%0.573SS**  trans-92.80166.5-53175.3000107.7L840 D843L840-I845 HydrophobicContact CB-CB 4.38Å; L840-I845 HydrophobicContact CD2-CB 4.16Å; L840-I845 HydrophobicContact CD2-CD1 4.23Å; L840-I845 HydrophobicContact CD2-CG2 4.26Å; L840-I845 PolarHBondContact O-N 3.39Å; D843-I845 HydrophobicContact CB-CD1 4.22Å; D843-I845 HydrophobicContact CB-CG1 4.17Å; D843-I845 PolarHBondContact O-N 3.29Å

Retrieved 845 of 845 residues in 227.6 ms (Link to these results)

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