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8-oxo-dGDP phosphatase NUDT18

Mediates the hydrolysis of oxidized nucleoside diphosphate derivatives. Hydrolyzes 8-oxo-7,8-dihydroguanine (8-oxo-Gua)-containing deoxyribo- and ribonucleoside diphosphates to the monophosphates. Hydrolyzes 8-oxo-dGDP and 8-oxo-GDP with the same efficiencies. Also hydrolyzes 8-OH-dADP and 2-OH-dADP. Exhibited no or minimal hydrolysis activity against 8-oxo-dGTP, 8-oxo-GTP, dGTP, GTP, dGDP and GDP. Probably removes oxidized guanine nucleotides from both the DNA and RNA precursor pools.

AlphaFold DB (A0A5F8A1R1), UniProt , Accession A0A096MUZ2, Species PAPAN (Papio anubis, Olive baboon), Gene NUDT18, Length 323 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
1M44.2Very low79.4Confident199 Ų19958 Ų5898%0.9837%0.374SS*.  0-71.90-60.3-149.1-66.100113.2E4M1-E4 VanDerWaalsContact CA-OE2 3.31Å; M1-E4 WeakPolarHBondContact CA-OE2 3.31Å; M1-E4 PolarHBondContact N-OE2 2.93Å
2A51.8Low80.8Confident53 Ų5355.5 Ų55.544%0.43836%0.362SS..Hα-helixtrans-72.2-39.7-178.700000114.5G5 L6A2-G5 PolarHBondContact O-N 3.49Å; A2-L6 PolarHBondContact O-N 3.38Å
3S58.5Low82Confident63 Ų6351.2 Ų51.244%0.44134%0.335SS..Hα-helixtrans-69.6-30.7177.8147.30000113.2G5 L6 T7S3-G5 VanDerWaalsContact C-N 3.34Å; S3-G5 PolarHBondContact O-N 2.75Å; S3-L6 PolarHBondContact O-N 3.06Å; S3-T7 WeakPolarHBondContact O-CB 3.48Å; S3-T7 PolarHBondContact O-N 3.27Å; S3-T7 PolarHBondContact O-OG1 2.93Å
4E62.1Low83Confident141 Ų14148 Ų4866%0.65931%0.313SS*.Hα-helixtrans-65.4-36.6174.9-73.6163.2144.100111.8M1 G8M1-E4 VanDerWaalsContact CA-OE2 3.31Å; M1-E4 WeakPolarHBondContact CA-OE2 3.31Å; M1-E4 PolarHBondContact N-OE2 2.93Å; E4-G8 PolarHBondContact O-N 3.49Å; E4-G8 VanDerWaalsContact O-N 3.16Å
5G85.5Confident83.8Confident48 Ų4849.1 Ų49.150%0.49533%0.328SS..Hα-helixtrans-67.5-42.5176.500000113.2A2 S3 A9A2-G5 PolarHBondContact O-N 3.49Å; S3-G5 VanDerWaalsContact C-N 3.34Å; S3-G5 PolarHBondContact O-N 2.75Å; G5-A9 WeakPolarHBondContact O-CB 3.34Å; G5-A9 PolarHBondContact O-N 3.29Å
6L92.3Very high84.5Confident6 Ų646.4 Ų46.43%0.03131%0.311CS..Hα-helixtrans-70.7-39.9-179.8-171.766.5000112.3A2 S3 A9 L10 V206 L214 W298A2-L6 PolarHBondContact O-N 3.38Å; S3-L6 PolarHBondContact O-N 3.06Å; L6-A9 PolarHBondContact O-N 3.4Å; L6-L10 WeakPolarHBondContact O-CB 3.33Å; L6-L10 PolarHBondContact O-N 2.7Å; L6-V206 HydrophobicContact CD1-CG1 4.17Å; L6-V206 HydrophobicContact CD1-CG2 4.34Å; L6-V206 HydrophobicContact CD2-CG1 4Å; L6-V206 HydrophobicContact CD2-CG2 3.64Å; L6-L214 HydrophobicContact CD1-CD2 4.48Å; L6-W298 HydrophobicContact CD2-CB 4.29Å; L6-W298 HydrophobicContact CD2-CD2 3.47Å; L6-W298 VanDerWaalsContact CD2-CD2 3.47Å; L6-W298 HydrophobicContact CD2-CE3 3.24Å; L6-W298 HydrophobicContact CD2-CG 3.94Å; L6-W298 HydrophobicContact CD2-CH2 4.36Å; L6-W298 HydrophobicContact CD2-CZ3 3.72Å; L6-W298 HydrophobicContact CG-CD2 4.33Å; L6-W298 HydrophobicContact CG-CE3 3.71Å; L6-W298 HydrophobicContact CG-CH2 4.24Å; L6-W298 HydrophobicContact CG-CZ3 3.64Å
7T94.9Very high85.2Confident31 Ų3150.1 Ų50.119%0.1932%0.322CS..Hα-helixtrans-57.1-49.4173.6-59.60000110.8S3 L10 A11 E302 L305S3-T7 WeakPolarHBondContact O-CB 3.48Å; S3-T7 PolarHBondContact O-N 3.27Å; S3-T7 PolarHBondContact O-OG1 2.93Å; T7-L10 PolarHBondContact O-N 3.19Å; T7-A11 WeakPolarHBondContact O-CB 3.46Å; T7-A11 PolarHBondContact O-N 3.28Å; T7-E302 HydrophobicContact CG2-CG 4.22Å; T7-L305 HydrophobicContact CG2-CD1 3.47Å; T7-L305 VanDerWaalsContact CG2-CD1 3.47Å; T7-L305 HydrophobicContact CG2-CG 4.44Å
8G94.8Very high85.6Confident40 Ų4047.7 Ų47.741%0.41231%0.309SS..Hα-helixtrans-63.6-41.9176.900000113.2E4 A11 A12E4-G8 PolarHBondContact O-N 3.49Å; E4-G8 VanDerWaalsContact O-N 3.16Å; G8-A11 PolarHBondContact O-N 2.73Å; G8-A12 WeakPolarHBondContact O-CB 3.4Å; G8-A12 PolarHBondContact O-N 3.44Å
9A95.4Very high86Confident24 Ų2448.6 Ų48.620%0.19832%0.315CS..Hα-helixtrans-63.3-43.9177.300000112.2G5 L6 A12 V13G5-A9 WeakPolarHBondContact O-CB 3.34Å; G5-A9 PolarHBondContact O-N 3.29Å; L6-A9 PolarHBondContact O-N 3.4Å; A9-A12 PolarHBondContact O-N 3.47Å; A9-V13 WeakPolarHBondContact O-CG2 3.29Å; A9-V13 PolarHBondContact O-N 3.4Å
10L97.4Very high86.3Confident0 Ų048.9 Ų48.90%032%0.318CS..Hα-helixtrans-64.6-45.2176.2179.160.2000111.4L6 T7 A12 V13 L14 V193 V204 L214 W298 V300 L305 L309L6-L10 WeakPolarHBondContact O-CB 3.33Å; L6-L10 PolarHBondContact O-N 2.7Å; T7-L10 PolarHBondContact O-N 3.19Å; L10-A12 VanDerWaalsContact C-N 3.34Å; L10-A12 PolarHBondContact O-N 2.99Å; L10-V13 PolarHBondContact O-N 3.15Å; L10-L14 HydrophobicContact CD1-CD1 4.02Å; L10-L14 HydrophobicContact CD1-CD2 4.47Å; L10-L14 HydrophobicContact CD1-CG 4.04Å; L10-L14 HydrophobicContact CG-CD1 3.89Å; L10-L14 HydrophobicContact CG-CG 4.35Å; L10-L14 VanDerWaalsContact O-CG 3.26Å; L10-L14 WeakPolarHBondContact O-CG 3.4Å; L10-L14 PolarHBondContact O-N 2.93Å; L10-V193 HydrophobicContact CD1-CG1 3.87Å; L10-V193 HydrophobicContact CD1-CG2 4.17Å; L10-V204 HydrophobicContact CD2-CG2 4.24Å; L10-L214 HydrophobicContact CD1-CD2 4.45Å; L10-W298 HydrophobicContact CB-CZ3 4.31Å; L10-W298 HydrophobicContact CD2-CH2 4.08Å; L10-W298 HydrophobicContact CD2-CZ3 3.58Å; L10-V300 HydrophobicContact CD2-CG2 4.32Å; L10-L305 HydrophobicContact CD2-CD1 4.23Å; L10-L309 HydrophobicContact CD1-CD2 4.39Å; L10-L309 HydrophobicContact CD2-CD1 3.92Å
11A96.5Very high86.5Confident33 Ų3347.8 Ų47.827%0.27331%0.31SS..Hα-helixtrans-56.4-47.7175.500000111.8T7 G8 V13 L14 A15 L305T7-A11 WeakPolarHBondContact O-CB 3.46Å; T7-A11 PolarHBondContact O-N 3.28Å; G8-A11 PolarHBondContact O-N 2.73Å; A11-V13 VanDerWaalsContact C-N 3.34Å; A11-V13 PolarHBondContact O-N 3.26Å; A11-L14 PolarHBondContact O-N 2.72Å; A11-A15 WeakPolarHBondContact O-CB 3.4Å; A11-A15 PolarHBondContact O-N 3.03Å; A11-L305 HydrophobicContact CB-CD2 3.91Å
12A96.1Very high88.5Confident28 Ų2847.1 Ų47.123%0.23131%0.305CS..Hα-helixtrans-60.1-43.917800000111.7G8 A9 L10 A15 G16 Q17G8-A12 WeakPolarHBondContact O-CB 3.4Å; G8-A12 PolarHBondContact O-N 3.44Å; A9-A12 PolarHBondContact O-N 3.47Å; L10-A12 VanDerWaalsContact C-N 3.34Å; L10-A12 PolarHBondContact O-N 2.99Å; A12-A15 CarbonylContact O-C 3.4Å; A12-A15 PolarHBondContact O-N 2.95Å; A12-A15 VanDerWaalsContact O-N 3.14Å; A12-G16 PolarHBondContact O-N 3.39Å; A12-Q17 CarbonylContact C-O 3.5Å; A12-Q17 HydrophobicContact CB-CB 4.4Å; A12-Q17 CarbonylContact O-C 3.53Å; A12-Q17 WeakPolarHBondContact O-CA 3.4Å; A12-Q17 PolarHBondContact O-N 3.4Å
13V97.3Very high90.3Very high0 Ų048.3 Ų48.30%031%0.31CS..Hα-helixtrans-64.2-41.3176.9172.40000112.5A9 L10 A11 A15 G16 Q17 V193 L214 L255 N271A9-V13 WeakPolarHBondContact O-CG2 3.29Å; A9-V13 PolarHBondContact O-N 3.4Å; L10-V13 PolarHBondContact O-N 3.15Å; A11-V13 VanDerWaalsContact C-N 3.34Å; A11-V13 PolarHBondContact O-N 3.26Å; V13-A15 PolarHBondContact O-N 3.34Å; V13-G16 PolarHBondContact O-N 3.45Å; V13-Q17 WeakPolarHBondContact CA-O 3.27Å; V13-V193 HydrophobicContact CB-CG2 4.5Å; V13-V193 HydrophobicContact CG1-CG2 3.56Å; V13-L214 HydrophobicContact CB-CD1 4.1Å; V13-L214 HydrophobicContact CG1-CD1 4.47Å; V13-L214 HydrophobicContact CG2-CD1 3.73Å; V13-L255 HydrophobicContact CG1-CB 4.33Å; V13-L255 HydrophobicContact CG1-CD1 3.76Å; V13-L255 WeakPolarHBondContact O-CB 3.47Å; V13-N271 HydrophobicContact CG1-CB 3.89Å
14L96.1Very high91.9Very high6 Ų647.1 Ų47.13%0.03130%0.301CS..Hα-helixtrans-69.5-18.3174.6-63.5170.4000113.3L10 A11 L255 L305 Q308 L309 R312L10-L14 HydrophobicContact CD1-CD1 4.02Å; L10-L14 HydrophobicContact CD1-CD2 4.47Å; L10-L14 HydrophobicContact CD1-CG 4.04Å; L10-L14 HydrophobicContact CG-CD1 3.89Å; L10-L14 HydrophobicContact CG-CG 4.35Å; L10-L14 VanDerWaalsContact O-CG 3.26Å; L10-L14 WeakPolarHBondContact O-CG 3.4Å; L10-L14 PolarHBondContact O-N 2.93Å; A11-L14 PolarHBondContact O-N 2.72Å; L14-L255 HydrophobicContact CD2-CD1 4.15Å; L14-L255 HydrophobicContact CD2-CD2 4.42Å; L14-L305 HydrophobicContact CD1-CD2 4.22Å; L14-Q308 HydrophobicContact CD1-CB 4.05Å; L14-L309 HydrophobicContact CD1-CD2 4.17Å; L14-L309 HydrophobicContact CD1-CG 3.82Å; L14-L309 HydrophobicContact CD2-CD2 3.7Å; L14-L309 HydrophobicContact CD2-CG 4.2Å; L14-R312 HydrophobicContact CD2-CB 4.32Å; L14-R312 HydrophobicContact CD2-CG 3.91Å; L14-R312 VanDerWaalsContact O-CZ 3.26Å; L14-R312 PolarHBondContact O-NE 3.43Å; L14-R312 VanDerWaalsContact O-NE 3.1Å; L14-R312 PolarHBondContact O-NH2 3.09Å
15A94.7Very high93.5Very high65 Ų6542 Ų4254%0.53728%0.278SS..THydrogen-bonded Turntrans-88.5-2170.300000113.4A11 A12 V13A11-A15 WeakPolarHBondContact O-CB 3.4Å; A11-A15 PolarHBondContact O-N 3.03Å; A12-A15 CarbonylContact O-C 3.4Å; A12-A15 PolarHBondContact O-N 2.95Å; A12-A15 VanDerWaalsContact O-N 3.14Å; V13-A15 PolarHBondContact O-N 3.34Å
16G95Very high94Very high5 Ų540 Ų405%0.05226%0.256CS..THydrogen-bonded Turntrans89.87.9179.500000115.9A12 V13 L255A12-G16 PolarHBondContact O-N 3.39Å; V13-G16 PolarHBondContact O-N 3.45Å; G16-L255 WeakPolarHBondContact CA-O 3.28Å
17Q95.8Very high94Very high109 Ų10941.3 Ų41.351%0.50927%0.268SS..  trans-101.7-172.4172.9-63.5-172.1-23.100111.1A12 V13 N271A12-Q17 CarbonylContact C-O 3.5Å; A12-Q17 HydrophobicContact CB-CB 4.4Å; A12-Q17 CarbonylContact O-C 3.53Å; A12-Q17 WeakPolarHBondContact O-CA 3.4Å; A12-Q17 PolarHBondContact O-N 3.4Å; V13-Q17 WeakPolarHBondContact CA-O 3.27Å; Q17-N271 PolarHBondContact O-ND2 3.06Å
18G92.6Very high93.6Very high8 Ų841.3 Ų41.38%0.08227%0.269CS..  trans-173.5168167.400000112.6Q181 L183G18-Q181 PolarHBondContact O-OE1 3.17Å; G18-L183 WeakPolarHBondContact O-CD1 3.14Å
19P92.6Very high92.9Very high64 Ų6444.6 Ų44.642%0.41629%0.292SS..  trans-65.8165.6171.828.5-34.2000111R191 Q258P19-R191 PolarHBondContact O-NH2 2.86Å; P19-Q258 PolarHBondContact O-OE1 3.3Å
20S92.5Very high91.9Very high54 Ų5447.1 Ų47.138%0.37832%0.32SS..  trans-64.2145.1169-175.40000110.7
21V91.4Very high90.4Very high26 Ų2655.1 Ų55.116%0.15836%0.358CS..  trans-87.9115.4175.3172.70000108.7V216 C269V21-V216 HydrophobicContact CG1-CG1 4.01Å; V21-V216 HydrophobicContact CG2-CG1 4.47Å; V21-C269 HydrophobicContact CG2-CB 3.88Å
22Q85.1Confident89.2Confident186 Ų18658.8 Ų58.887%0.86938%0.379SS*.  trans-103.6-29.3178.6-62.7-173.8-19.700112.8
23S89.6Confident88.3Confident77 Ų7760 Ų6054%0.53838%0.384SS..  trans-150.9168.3-177.856.80000110.7
24C93.2Very high87.4Confident38 Ų3864.6 Ų64.626%0.25741%0.412SS..  trans-121.9141.9172.5-62.80000109V216 A218C24-V216 CarbonylContact C-O 3.55Å; C24-V216 WeakPolarHBondContact CA-O 3.29Å; C24-V216 HydrophobicContact CB-CG1 4.41Å; C24-A218 HydrophobicContact CB-CB 4.33Å
25D95.7Very high87.1Confident35 Ų3567 Ų6719%0.18743%0.428CS..SBendtrans-77.8-28.9174.4-58.3-83.3000112.3H213 P215 V216 L237 F295D25-H213 IonicContact OD1-CE1 3.4Å; D25-H213 PolarHBondContact OD1-CE1 3.03Å; D25-H213 IonicContact OD1-NE2 3.16Å; D25-H213 PolarHBondContact OD1-NE2 2.85Å; D25-H213 IonicContact OD2-CD2 3.54Å; D25-H213 IonicContact OD2-NE2 3.65Å; D25-H213 PolarHBondContact OD2-NE2 3.48Å; D25-H213 VanDerWaalsContact OD2-NE2 3.16Å; D25-P215 VanDerWaalsContact OD2-CA 3.23Å; D25-P215 WeakPolarHBondContact OD2-CA 3.37Å; D25-V216 PolarHBondContact N-O 2.95Å; D25-V216 PolarHBondContact OD2-N 3.18Å; D25-L237 HydrophobicContact CB-CD1 4.2Å; D25-F295 HydrophobicContact CB-CE1 4.06Å; D25-F295 HydrophobicContact CB-CZ 3.83Å
26S94.4Very high87Confident5 Ų564.1 Ų64.14%0.03540%0.404CS..BIsolated β-bridgetrans-138.6140.7179.2176.20000110.9V216 T217 A218 R236 E240S26-V216 PolarHBondContact N-O 3.21Å; S26-T217 CarbonylContact O-C 3.51Å; S26-T217 WeakPolarHBondContact O-CA 3.47Å; S26-T217 PolarHBondContact O-OG1 3.11Å; S26-A218 PolarHBondContact O-N 2.92Å; S26-R236 WeakPolarHBondContact OG-CD 3.39Å; S26-R236 PolarHBondContact OG-NE 2.82Å; S26-E240 WeakPolarHBondContact CB-OE2 3.32Å; S26-E240 PolarHBondContact OG-OE1 2.89Å; S26-E240 PolarHBondContact OG-OE2 3.39Å
27A92.6Very high86.9Confident34 Ų3467 Ų6728%0.28141%0.413SS..  trans-145.2162.2178.900000109.5P33 A218 R236A27-P33 HydrophobicContact CB-CG 3.74Å; A27-A218 HydrophobicContact CB-CB 4.23Å; A27-R236 WeakPolarHBondContact O-CD 3.48Å; A27-R236 PolarHBondContact O-NE 3.28Å
28P87.3Confident86.8Confident30 Ų3062.1 Ų62.120%0.19539%0.39CS..  trans-56.5143.4173.9-13.224000110.8E225P28-E225 VanDerWaalsContact CG-OE1 3.3Å; P28-E225 WeakPolarHBondContact CG-OE1 3.09Å
29A79Confident86.5Confident109 Ų10968.4 Ų68.490%0.90141%0.411SS*.SBendtrans-68.6136.9179.200000111.1
30G75.4Confident86.5Confident77 Ų7773.7 Ų73.779%0.79443%0.428SS*.SBendtrans126.2-134177.900000112.4
31E64.9Low86.4Confident169 Ų16973.4 Ų73.479%0.7942%0.422SS*.SBendtrans-67.1149177.9-69.9-179-174.800111.5
32P71.9Confident86.6Confident110 Ų11072.3 Ų72.371%0.71442%0.416SS*.PPolyproline II helixtrans-56.8145.8178.522.3-32.5000111.3V34P32-V34 PolarHBondContact O-N 2.9Å; P32-V34 VanDerWaalsContact O-N 3.14Å
33P76.8Confident87.2Confident52 Ų5264.8 Ų64.834%0.33838%0.383SS..PPolyproline II helixtrans-53.3122.1179.1-25.834.2000111.3A27 L187 A218A27-P33 HydrophobicContact CB-CG 3.74Å; P33-L187 HydrophobicContact CB-CD1 3.86Å; P33-L187 HydrophobicContact CB-CD2 3.55Å; P33-L187 HydrophobicContact CB-CG 4.37Å; P33-L187 HydrophobicContact CG-CD1 4.34Å; P33-A218 HydrophobicContact CG-CB 4.25Å
34V79.4Confident87.6Confident98 Ų9861.2 Ų61.259%0.59436%0.358SS*.PPolyproline II helixtrans-74.9135.8178.2-176.80000108.7P32 V36P32-V34 PolarHBondContact O-N 2.9Å; P32-V34 VanDerWaalsContact O-N 3.14Å; V34-V36 PolarHBondContact O-N 2.96Å
35P89.5Confident87.9Confident56 Ų5660.2 Ų60.236%0.36435%0.351SS..PPolyproline II helixtrans-53135173.9-27.935.3000111.7N41 D186P35-N41 PolarHBondContact O-ND2 2.96Å; P35-D186 CarbonylContact C-O 3.37Å; P35-D186 VanDerWaalsContact CA-O 3.26Å; P35-D186 WeakPolarHBondContact CA-O 3.42Å; P35-D186 HydrophobicContact CB-CB 4.39Å
36V91.8Very high88Confident4 Ų458.5 Ų58.52%0.02434%0.342CS..PPolyproline II helixtrans-75.1150.3177.3-52.80000109.9V34 N41 V42 D186 V188 D266 G267V34-V36 PolarHBondContact O-N 2.96Å; V36-N41 WeakPolarHBondContact CA-OD1 3.22Å; V36-V42 HydrophobicContact CB-CG1 3.97Å; V36-V42 HydrophobicContact CB-CG2 4.04Å; V36-V42 HydrophobicContact CG1-CG1 4.02Å; V36-V42 HydrophobicContact CG2-CG2 4.38Å; V36-D186 PolarHBondContact N-O 3.45Å; V36-V188 HydrophobicContact CG1-CG2 3.98Å; V36-D266 HydrophobicContact CG2-CB 4.12Å; V36-D266 VanDerWaalsContact CG2-O 3.31Å; V36-D266 WeakPolarHBondContact CG2-O 3.46Å; V36-G267 VanDerWaalsContact CG2-N 3.26Å
37R94Very high88.2Confident66 Ų6658.3 Ų58.325%0.24934%0.34CS..  trans-141.2116.2-175.3-68.8-72.9168-115.82.5107.7R39 K40 N41 H264 D266R37-R39 PolarHBondContact O-N 2.95Å; R37-K40 HydrophobicContact CB-CB 3.8Å; R37-K40 HydrophobicContact CB-CD 3.82Å; R37-K40 HydrophobicContact CB-CG 3.97Å; R37-K40 HydrophobicContact CG-CD 4.27Å; R37-K40 PolarHBondContact O-N 3.27Å; R37-N41 PolarHBondContact N-OD1 3.45Å; R37-N41 PolarHBondContact O-N 3.43Å; R37-N41 PolarHBondContact O-OD1 2.97Å; R37-N41 VanDerWaalsContact O-OD1 3.05Å; R37-H264 VanDerWaalsContact NH1-C 3.3Å; R37-H264 PolarHBondContact NH1-O 2.69Å; R37-H264 PolarHBondContact NH2-O 2.78Å; R37-D266 VanDerWaalsContact CA-OD2 3.27Å; R37-D266 WeakPolarHBondContact CA-OD2 3.24Å; R37-D266 IonicContact NH1-OD2 3.66Å
38L92.6Very high88.5Confident7 Ų756.7 Ų56.74%0.03733%0.327CS..BIsolated β-bridgetrans-53136176.8-77.3176.7000109.7K40 V42 Y44 M78 P80 D266L38-K40 PolarHBondContact O-N 2.83Å; L38-V42 HydrophobicContact CD2-CG2 4.28Å; L38-Y44 HydrophobicContact CD2-CD2 3.35Å; L38-Y44 HydrophobicContact CD2-CE2 3.67Å; L38-Y44 HydrophobicContact CD2-CG 3.86Å; L38-M78 HydrophobicContact CD1-CB 4.33Å; L38-M78 HydrophobicContact CD2-CB 4.47Å; L38-P80 HydrophobicContact CB-CG 4.49Å; L38-D266 HydrophobicContact CB-CB 4.49Å; L38-D266 HydrophobicContact CG-CB 3.89Å; L38-D266 PolarHBondContact N-OD2 3.41Å
39R87.1Confident89.1Confident139 Ų13955.2 Ų55.253%0.52532%0.317SS..THydrogen-bonded Turntrans65.7-4.6-178.7-51.8177.5178.4-175.5-9.2115.7R37 V42 M78 E79R37-R39 PolarHBondContact O-N 2.95Å; R39-V42 PolarHBondContact N-O 3Å; R39-M78 PolarHBondContact NE-O 2.79Å; R39-M78 PolarHBondContact NH2-O 2.88Å; R39-E79 IonicContact CZ-OE1 3.53Å; R39-E79 IonicContact NH1-OE1 3.44Å; R39-E79 PolarHBondContact NH1-OE1 2.91Å; R39-E79 IonicContact NH2-OE1 2.71Å; R39-E79 PolarHBondContact NH2-OE1 2.98Å
40K91.6Very high90Very high176 Ų17650.1 Ų50.177%0.76528%0.275SS*.THydrogen-bonded Turntrans-97.5-58.2173.1-59.8-169.5-177.4-179.80112R37 L38R37-K40 HydrophobicContact CB-CB 3.8Å; R37-K40 HydrophobicContact CB-CD 3.82Å; R37-K40 HydrophobicContact CB-CG 3.97Å; R37-K40 HydrophobicContact CG-CD 4.27Å; R37-K40 PolarHBondContact O-N 3.27Å; L38-K40 PolarHBondContact O-N 2.83Å
41N91.7Very high91.1Very high47 Ų4747 Ų4725%0.25124%0.24SC..THydrogen-bonded Turntrans-125.6-7.3-176.962.1-2.2000113.6P35 V36 R37 S114 L221P35-N41 PolarHBondContact O-ND2 2.96Å; V36-N41 WeakPolarHBondContact CA-OD1 3.22Å; R37-N41 PolarHBondContact N-OD1 3.45Å; R37-N41 PolarHBondContact O-N 3.43Å; R37-N41 PolarHBondContact O-OD1 2.97Å; R37-N41 VanDerWaalsContact O-OD1 3.05Å; N41-S114 WeakPolarHBondContact O-CB 3.18Å; N41-S114 PolarHBondContact O-OG 2.97Å; N41-L221 HydrophobicContact CB-CD1 4.03Å
42V95Very high92.7Very high4 Ų440.3 Ų40.32%0.02421%0.212CC..BIsolated β-bridgetrans-136.9148.9173.6-62.30000111V36 L38 R39 Y44 S114 V188 L221V36-V42 HydrophobicContact CB-CG1 3.97Å; V36-V42 HydrophobicContact CB-CG2 4.04Å; V36-V42 HydrophobicContact CG1-CG1 4.02Å; V36-V42 HydrophobicContact CG2-CG2 4.38Å; L38-V42 HydrophobicContact CD2-CG2 4.28Å; R39-V42 PolarHBondContact N-O 3Å; V42-Y44 HydrophobicContact CB-CD1 4.5Å; V42-Y44 HydrophobicContact CB-CE1 3.79Å; V42-Y44 HydrophobicContact CG1-CE1 4.42Å; V42-Y44 HydrophobicContact CG2-CE1 3.99Å; V42-Y44 HydrophobicContact CG2-CE2 4.44Å; V42-S114 CarbonylContact C-O 3.58Å; V42-S114 WeakPolarHBondContact CA-O 3.36Å; V42-V188 HydrophobicContact CG1-CG2 4.03Å; V42-L221 HydrophobicContact CG1-CD1 4.42Å
43C97.3Very high93.8Very high28 Ų2844.2 Ų44.219%0.18922%0.22CC..EExtended strand (participates in β ladder)trans-128.5112.9175.6179.30000108.8S114 W115 V116C43-S114 PolarHBondContact N-O 3.42Å; C43-W115 WeakPolarHBondContact O-CA 3.47Å; C43-V116 PolarHBondContact O-N 2.92Å
44Y98.4Very high94.8Very high2 Ų248 Ų481%0.00823%0.234CC..EExtended strand (participates in β ladder)trans-102.9140.1173.6-56.7-21.4000110.4L38 V42 R77 M78 V116 F118 D266 I268L38-Y44 HydrophobicContact CD2-CD2 3.35Å; L38-Y44 HydrophobicContact CD2-CE2 3.67Å; L38-Y44 HydrophobicContact CD2-CG 3.86Å; V42-Y44 HydrophobicContact CB-CD1 4.5Å; V42-Y44 HydrophobicContact CB-CE1 3.79Å; V42-Y44 HydrophobicContact CG1-CE1 4.42Å; V42-Y44 HydrophobicContact CG2-CE1 3.99Å; V42-Y44 HydrophobicContact CG2-CE2 4.44Å; Y44-R77 WeakPolarHBondContact O-CA 3.44Å; Y44-M78 VanDerWaalsContact CB-SD 3.51Å; Y44-M78 HydrophobicContact CD2-SD 3.88Å; Y44-M78 HydrophobicContact CG-SD 4.22Å; Y44-M78 PolarHBondContact O-N 2.91Å; Y44-V116 CarbonylContact C-O 3.12Å; Y44-V116 VanDerWaalsContact CA-O 3.29Å; Y44-V116 WeakPolarHBondContact CA-O 3.39Å; Y44-V116 HydrophobicContact CD1-CB 4Å; Y44-V116 HydrophobicContact CD1-CG2 4.38Å; Y44-V116 HydrophobicContact CE1-CB 4.46Å; Y44-V116 HydrophobicContact CE1-CG2 4.38Å; Y44-F118 HydrophobicContact CD2-CE2 4.36Å; Y44-F118 HydrophobicContact CG-CE2 4.08Å; Y44-D266 WeakPolarHBondContact CE2-O 3.25Å; Y44-D266 PolarHBondContact OH-O 3.17Å; Y44-I268 HydrophobicContact CD2-CG2 4.34Å; Y44-I268 HydrophobicContact CE1-CD1 4.27Å; Y44-I268 HydrophobicContact CE2-CG2 3.64Å
45V98.6Very high95.7Very high16 Ų1646 Ų4610%0.09722%0.22CC..EExtended strand (participates in β ladder)trans-123.6139.1179.6179.30000108G76 R77 W115 V116 R117 F118V45-G76 CarbonylContact C-O 3.19Å; V45-G76 VanDerWaalsContact CA-O 3.29Å; V45-G76 WeakPolarHBondContact CA-O 3.31Å; V45-G76 WeakPolarHBondContact CG1-O 3.48Å; V45-R77 HydrophobicContact CG2-CG 4.3Å; V45-W115 HydrophobicContact CG2-CZ2 3.99Å; V45-V116 PolarHBondContact N-O 3.44Å; V45-R117 HydrophobicContact CB-CB 4.06Å; V45-R117 HydrophobicContact CB-CG 3.95Å; V45-R117 HydrophobicContact CG1-CB 4.47Å; V45-R117 HydrophobicContact CG1-CG 3.85Å; V45-R117 CarbonylContact O-C 3.56Å; V45-R117 VanDerWaalsContact O-CA 3.27Å; V45-R117 WeakPolarHBondContact O-CA 3.34Å; V45-F118 PolarHBondContact O-N 2.97Å
46V98.9Very high96.1Very high0 Ų046.4 Ų46.40%022%0.216CC..EExtended strand (participates in β ladder)trans-110.8145.7169.6-66.10000108.9A75 G76 M78 I84 A87 L88 E91 F118V46-A75 VanDerWaalsContact O-CA 3.24Å; V46-A75 WeakPolarHBondContact O-CA 3.46Å; V46-A75 WeakPolarHBondContact O-CB 3.34Å; V46-G76 PolarHBondContact N-O 3.31Å; V46-G76 PolarHBondContact O-N 3.22Å; V46-G76 VanDerWaalsContact O-N 3.11Å; V46-M78 HydrophobicContact CG1-CG 4.16Å; V46-M78 HydrophobicContact CG1-SD 4.46Å; V46-I84 HydrophobicContact CG1-CG2 4Å; V46-A87 HydrophobicContact CG1-CB 4.04Å; V46-A87 HydrophobicContact CG2-CB 3.95Å; V46-L88 HydrophobicContact CB-CB 4.34Å; V46-L88 HydrophobicContact CB-CD1 4.14Å; V46-L88 HydrophobicContact CG2-CB 4.45Å; V46-E91 HydrophobicContact CG2-CG 3.9Å; V46-F118 WeakPolarHBondContact CA-O 3.42Å; V46-F118 HydrophobicContact CG1-CD2 4.47Å
47L98.9Very high96.4Very high0 Ų046.2 Ų46.20%022%0.215CC..EExtended strand (participates in β ladder)trans-142.6129.9178.4180154.8000109.3V49 Y72 L73 P74 A75 R117 F118 V119 F120 L162L47-V49 HydrophobicContact CD2-CG2 3.98Å; L47-Y72 HydrophobicContact CD1-CE1 4.01Å; L47-L73 HydrophobicContact CD1-CB 4.36Å; L47-L73 HydrophobicContact CD2-CB 4.09Å; L47-L73 HydrophobicContact CD2-CD1 3.62Å; L47-L73 HydrophobicContact CG-CB 4.09Å; L47-L73 HydrophobicContact CG-CD1 4.42Å; L47-P74 WeakPolarHBondContact CA-O 3.41Å; L47-A75 HydrophobicContact CB-CB 3.88Å; L47-A75 HydrophobicContact CD1-CB 3.99Å; L47-A75 HydrophobicContact CG-CB 3.88Å; L47-R117 HydrophobicContact CB-CG 4.41Å; L47-F118 PolarHBondContact N-O 3.48Å; L47-V119 HydrophobicContact CB-CG2 4.49Å; L47-V119 HydrophobicContact CD2-CB 4.49Å; L47-V119 HydrophobicContact CD2-CG1 3.79Å; L47-V119 HydrophobicContact CD2-CG2 4.29Å; L47-V119 WeakPolarHBondContact O-CA 3.34Å; L47-F120 PolarHBondContact O-N 2.87Å; L47-L162 HydrophobicContact CD1-CD1 4.03Å; L47-L162 HydrophobicContact CD2-CD1 3.83Å
48A98.9Very high96.7Very high0 Ų043 Ų430%020%0.203CC..EExtended strand (participates in β ladder)trans-101.7123.2-179.200000111F50 P74 L88 V92 A122A48-F50 HydrophobicContact CB-CD2 4.14Å; A48-F50 HydrophobicContact CB-CE2 3.52Å; A48-F50 HydrophobicContact CB-CZ 4.3Å; A48-P74 HydrophobicContact CB-CB 4.35Å; A48-P74 PolarHBondContact N-O 3.16Å; A48-L88 HydrophobicContact CB-CD1 3.72Å; A48-V92 HydrophobicContact CB-CG2 3.57Å; A48-A122 HydrophobicContact CB-CB 4.47Å
49V98.9Very high97Very high0 Ų042.7 Ų42.70%020%0.202CC..EExtended strand (participates in β ladder)trans-98.8120.3164.7-171.70000107.5L47 L73 L106 V119 F120 L121 A122 L162 V163 A166L47-V49 HydrophobicContact CD2-CG2 3.98Å; V49-L73 HydrophobicContact CG2-CD1 3.89Å; V49-L106 HydrophobicContact CB-CD1 4.11Å; V49-L106 HydrophobicContact CG2-CD1 4.07Å; V49-V119 HydrophobicContact CG2-CG1 3.77Å; V49-F120 PolarHBondContact N-O 3.36Å; V49-L121 WeakPolarHBondContact O-CA 3.45Å; V49-L121 WeakPolarHBondContact O-CD1 3.43Å; V49-A122 PolarHBondContact O-N 3.38Å; V49-L162 HydrophobicContact CG2-CB 4.13Å; V49-V163 HydrophobicContact CG1-CG2 4.34Å; V49-A166 HydrophobicContact CB-CB 4.33Å; V49-A166 HydrophobicContact CG1-CB 3.51Å
50F98.9Very high97.5Very high1 Ų136.1 Ų36.10%0.00418%0.177CC..EExtended strand (participates in β ladder)trans-105.7132.7165.8-64.6-96.9000108.3A48 V57 L58 P74 V92 C100 A122 W144A48-F50 HydrophobicContact CB-CD2 4.14Å; A48-F50 HydrophobicContact CB-CE2 3.52Å; A48-F50 HydrophobicContact CB-CZ 4.3Å; F50-V57 WeakPolarHBondContact O-CA 3.34Å; F50-L58 HydrophobicContact CB-CB 3.76Å; F50-L58 HydrophobicContact CD2-CB 3.97Å; F50-L58 HydrophobicContact CD2-CD2 3.64Å; F50-L58 HydrophobicContact CD2-CG 4.39Å; F50-L58 HydrophobicContact CE2-CD2 3.86Å; F50-L58 HydrophobicContact CG-CB 4.06Å; F50-L58 HydrophobicContact CG-CD2 4.09Å; F50-L58 HydrophobicContact CZ-CD2 4.48Å; F50-P74 HydrophobicContact CE2-CG 4.46Å; F50-V92 HydrophobicContact CE2-CG1 4.08Å; F50-V92 HydrophobicContact CE2-CG2 3.85Å; F50-V92 HydrophobicContact CZ-CG1 3.8Å; F50-V92 HydrophobicContact CZ-CG2 4Å; F50-C100 HydrophobicContact CE1-CB 3.77Å; F50-C100 HydrophobicContact CZ-CB 3.58Å; F50-A122 HydrophobicContact CD1-CB 4.14Å; F50-A122 VanDerWaalsContact CD1-O 3.22Å; F50-A122 WeakPolarHBondContact CD1-O 3.32Å; F50-A122 HydrophobicContact CE1-CB 3.61Å; F50-A122 HydrophobicContact CE2-CB 4.13Å; F50-A122 HydrophobicContact CZ-CB 3.59Å; F50-W144 HydrophobicContact CB-CH2 3.62Å; F50-W144 HydrophobicContact CB-CZ3 3.85Å; F50-W144 HydrophobicContact CD1-CH2 4.4Å; F50-W144 HydrophobicContact CG-CH2 4.29Å
51L98.6Very high97.9Very high12 Ų1229.3 Ų29.36%0.06315%0.148CC..BIsolated β-bridgetrans-134.5109.8172.3-175.360000108.2E56 V57 A166 A167 R170L51-E56 WeakPolarHBondContact CA-O 3.42Å; L51-V57 HydrophobicContact CD1-CG2 4.04Å; L51-A166 HydrophobicContact CB-CB 4.33Å; L51-A166 HydrophobicContact CD2-CB 4.22Å; L51-A167 VanDerWaalsContact CD2-CA 3.4Å; L51-A167 HydrophobicContact CD2-CB 3.8Å; L51-R170 HydrophobicContact CD2-CG 4.08Å
52S97.6Very high98.2Very high28 Ų2827.1 Ų27.120%0.19614%0.136CC..  trans-75.1168.1-177.774.70000111.8Q54 D55 E56S52-Q54 PolarHBondContact O-N 2.84Å; S52-Q54 PolarHBondContact OG-N 2.78Å; S52-D55 PolarHBondContact O-N 2.97Å; S52-D55 VanDerWaalsContact O-N 3.1Å; S52-E56 PolarHBondContact N-O 3.44Å; S52-E56 WeakPolarHBondContact OG-CB 3.44Å; S52-E56 PolarHBondContact OG-N 3.37Å; S52-E56 VanDerWaalsContact OG-N 3.11Å
53E95.6Very high98.3Very high192 Ų19227.2 Ų27.290%0.89714%0.137SC*.THydrogen-bonded Turntrans-63.7-20.3172.4-64.3-175.4163.600112.6D55E53-D55 PolarHBondContact O-N 2.9Å
54Q97.3Very high98.2Very high132 Ų13229.6 Ų29.662%0.61714%0.144SC*.THydrogen-bonded Turntrans-86.810.3176.3-63.771.636.100112.7S52 E56S52-Q54 PolarHBondContact O-N 2.84Å; S52-Q54 PolarHBondContact OG-N 2.78Å; Q54-E56 HydrophobicContact CB-CG 4.13Å; Q54-E56 PolarHBondContact O-N 2.88Å
55D97.9Very high98.1Very high57 Ų5739.6 Ų39.631%0.30518%0.182SC..SBendtrans5934.9-175.6-159.537.3000112.8S52 E53 R147S52-D55 PolarHBondContact O-N 2.97Å; S52-D55 VanDerWaalsContact O-N 3.1Å; E53-D55 PolarHBondContact O-N 2.9Å; D55-R147 WeakPolarHBondContact O-CB 3.38Å; D55-R147 PolarHBondContact O-N 3.28Å; D55-R147 IonicContact OD1-CZ 2.7Å; D55-R147 IonicContact OD1-NE 2.75Å; D55-R147 PolarHBondContact OD1-NE 3.33Å; D55-R147 IonicContact OD1-NH2 3.52Å; D55-R147 PolarHBondContact OD1-NH2 3.36Å; D55-R147 IonicContact OD2-CZ 3.36Å; D55-R147 IonicContact OD2-NE 2.86Å; D55-R147 PolarHBondContact OD2-NE 3.35Å; D55-R147 IonicContact OD2-NH2 3.43Å; D55-R147 PolarHBondContact OD2-NH2 2.69Å
56E98.7Very high98Very high63 Ų6345.8 Ų45.829%0.29421%0.21SC..EExtended strand (participates in β ladder)trans-103.5146.4175.7-56.6-176.2131.300111.6L51 S52 Q54 W144 Y145L51-E56 WeakPolarHBondContact CA-O 3.42Å; S52-E56 PolarHBondContact N-O 3.44Å; S52-E56 WeakPolarHBondContact OG-CB 3.44Å; S52-E56 PolarHBondContact OG-N 3.37Å; S52-E56 VanDerWaalsContact OG-N 3.11Å; Q54-E56 HydrophobicContact CB-CG 4.13Å; Q54-E56 PolarHBondContact O-N 2.88Å; E56-W144 HydrophobicContact CB-CB 4.22Å; E56-W144 HydrophobicContact CB-CE3 3.95Å; E56-W144 WeakPolarHBondContact O-CZ3 3.45Å; E56-Y145 CarbonylContact C-O 3.27Å; E56-Y145 VanDerWaalsContact CA-O 3.24Å; E56-Y145 WeakPolarHBondContact CA-O 3.41Å
57V98.9Very high97.8Very high0 Ų047.1 Ų47.10%022%0.219CC..EExtended strand (participates in β ladder)trans-112.1131.5-179.2-176.50000109.5F50 L51 L59 L73 W144 Y145 R147 L150 V163F50-V57 WeakPolarHBondContact O-CA 3.34Å; L51-V57 HydrophobicContact CD1-CG2 4.04Å; V57-L59 HydrophobicContact CG1-CD2 4.28Å; V57-L59 HydrophobicContact CG1-CG 4.25Å; V57-L73 HydrophobicContact CG1-CD2 3.7Å; V57-W144 WeakPolarHBondContact O-CA 3.41Å; V57-Y145 PolarHBondContact N-O 3.49Å; V57-Y145 PolarHBondContact O-N 2.75Å; V57-R147 HydrophobicContact CG2-CB 4.01Å; V57-R147 HydrophobicContact CG2-CG 4.38Å; V57-L150 HydrophobicContact CB-CD2 4.24Å; V57-L150 HydrophobicContact CG2-CD2 4.31Å; V57-V163 HydrophobicContact CG1-CG2 3.91Å; V57-V163 HydrophobicContact CG2-CG1 3.64Å; V57-V163 HydrophobicContact CG2-CG2 4.21Å
58L98.9Very high97.8Very high0 Ų055 Ų550%025%0.249CC..EExtended strand (participates in β ladder)trans-76.6123.4170.3-177.566.7000109.8F50 P74 A96 L98 L129 A142 W144F50-L58 HydrophobicContact CB-CB 3.76Å; F50-L58 HydrophobicContact CD2-CB 3.97Å; F50-L58 HydrophobicContact CD2-CD2 3.64Å; F50-L58 HydrophobicContact CD2-CG 4.39Å; F50-L58 HydrophobicContact CE2-CD2 3.86Å; F50-L58 HydrophobicContact CG-CB 4.06Å; F50-L58 HydrophobicContact CG-CD2 4.09Å; F50-L58 HydrophobicContact CZ-CD2 4.48Å; L58-P74 HydrophobicContact CD2-CG 4.29Å; L58-A96 HydrophobicContact CD2-CB 3.99Å; L58-L98 HydrophobicContact CD1-CD1 4.46Å; L58-L98 HydrophobicContact CD2-CD1 3.73Å; L58-L129 HydrophobicContact CD1-CD1 3.68Å; L58-A142 HydrophobicContact CD1-CB 4.23Å; L58-W144 HydrophobicContact CB-CD2 4.18Å; L58-W144 HydrophobicContact CB-CE3 4.1Å; L58-W144 HydrophobicContact CB-CH2 4.05Å; L58-W144 HydrophobicContact CB-CZ2 4.1Å; L58-W144 HydrophobicContact CB-CZ3 4.04Å; L58-W144 HydrophobicContact CD1-CD2 4.33Å; L58-W144 HydrophobicContact CD1-CG 4.48Å; L58-W144 HydrophobicContact CD1-CZ2 4.45Å
59L98.9Very high97.7Very high0 Ų055.9 Ų55.90%026%0.258CS..EExtended strand (participates in β ladder)trans-125.4154.6173.9-64.9168.2000110.3V57 W71 Y72 L73 A142 A143 Y145 L150 P151 I159V57-L59 HydrophobicContact CG1-CD2 4.28Å; V57-L59 HydrophobicContact CG1-CG 4.25Å; L59-W71 HydrophobicContact CB-CE3 3.72Å; L59-W71 HydrophobicContact CB-CZ3 4.3Å; L59-Y72 CarbonylContact C-O 3.55Å; L59-Y72 WeakPolarHBondContact CA-O 3.35Å; L59-Y72 WeakPolarHBondContact CD2-O 3.1Å; L59-L73 HydrophobicContact CD2-CD2 3.75Å; L59-L73 HydrophobicContact CD2-CG 4.1Å; L59-A142 CarbonylContact O-C 3.56Å; L59-A142 VanDerWaalsContact O-CA 3.25Å; L59-A142 WeakPolarHBondContact O-CA 3.41Å; L59-A143 PolarHBondContact N-O 2.87Å; L59-A143 PolarHBondContact O-N 2.82Å; L59-Y145 HydrophobicContact CD1-CD2 4.08Å; L59-L150 HydrophobicContact CD1-CD2 4.07Å; L59-P151 HydrophobicContact CD1-CG 3.51Å; L59-I159 HydrophobicContact CD2-CD1 4.07Å
60I98.9Very high97.7Very high0 Ų056.4 Ų56.40%026%0.261CS..EExtended strand (participates in β ladder)trans-112.3150.4172.363.981.8000109.5E62 W71 Y72 P74 E95 A96 Q141 A142I60-E62 HydrophobicContact CD1-CG 4.19Å; I60-W71 VanDerWaalsContact C-CE3 3.44Å; I60-W71 VanDerWaalsContact O-CA 3.32Å; I60-W71 WeakPolarHBondContact O-CA 3.36Å; I60-Y72 PolarHBondContact N-O 3.34Å; I60-Y72 PolarHBondContact O-N 2.89Å; I60-P74 HydrophobicContact CG2-CB 4.45Å; I60-P74 HydrophobicContact CG2-CG 3.97Å; I60-E95 HydrophobicContact CB-CB 4.37Å; I60-E95 HydrophobicContact CG1-CB 4.32Å; I60-E95 HydrophobicContact CG2-CB 3.92Å; I60-E95 WeakPolarHBondContact CG2-O 3.18Å; I60-A96 HydrophobicContact CG2-CB 3.98Å; I60-Q141 CarbonylContact C-O 3.51Å; I60-Q141 WeakPolarHBondContact CA-O 3.39Å; I60-A142 HydrophobicContact CG2-CB 3.94Å
61Q98.8Very high97.7Very high34 Ų3456.8 Ų56.816%0.15926%0.263CS..EExtended strand (participates in β ladder)trans-101121.2173.1-166.2178.930.800109.7G69 S70 W71 L140 Q141Q61-G69 PolarHBondContact NE2-O 2.79Å; Q61-S70 WeakPolarHBondContact CA-O 3.44Å; Q61-W71 HydrophobicContact CB-CD2 3.96Å; Q61-W71 HydrophobicContact CB-CE3 4.02Å; Q61-W71 HydrophobicContact CB-CH2 3.99Å; Q61-W71 HydrophobicContact CB-CZ2 3.91Å; Q61-W71 HydrophobicContact CB-CZ3 4.03Å; Q61-W71 HydrophobicContact CG-CD2 4.25Å; Q61-W71 HydrophobicContact CG-CZ2 4.21Å; Q61-L140 HydrophobicContact CB-CB 4.25Å; Q61-L140 HydrophobicContact CG-CB 4.42Å; Q61-L140 HydrophobicContact CG-CD1 4.27Å; Q61-L140 PolarHBondContact O-N 3.01Å; Q61-Q141 HydrophobicContact CB-CG 3.87Å; Q61-Q141 PolarHBondContact N-O 2.88Å
62E98.6Very high97.7Very high1 Ų156.8 Ų56.81%0.00526%0.262CS..EExtended strand (participates in β ladder)trans-65.1132.9-171.5-70.4-81.2-170.100112.8I60 C67 R68 G69 S70 R155I60-E62 HydrophobicContact CD1-CG 4.19Å; E62-C67 VanDerWaalsContact CB-O 3.32Å; E62-C67 WeakPolarHBondContact CB-O 3.31Å; E62-R68 WeakPolarHBondContact O-CA 3.48Å; E62-G69 PolarHBondContact O-N 2.94Å; E62-S70 WeakPolarHBondContact CB-O 3.22Å; E62-S70 PolarHBondContact N-O 3.03Å; E62-R155 WeakPolarHBondContact OE1-CD 3.27Å; E62-R155 IonicContact OE1-CZ 3.8Å; E62-R155 IonicContact OE1-NE 2.67Å; E62-R155 IonicContact OE1-NH1 3.12Å; E62-R155 PolarHBondContact OE1-NH1 2.94Å
63A97.8Very high97.8Very high6 Ų655.5 Ų55.55%0.0525%0.253CS..  trans-94.6-21172.100000113.3R68 D136 A137 L140A63-R68 PolarHBondContact O-NH1 2.91Å; A63-R68 VanDerWaalsContact O-NH1 3.1Å; A63-D136 WeakPolarHBondContact CB-O 3.44Å; A63-A137 WeakPolarHBondContact CB-O 3.3Å; A63-L140 HydrophobicContact CB-CD2 3.94Å; A63-L140 HydrophobicContact CB-CG 4.15Å
64K95.3Very high98Very high77 Ų7746.4 Ų46.434%0.33521%0.21SC..SBendtrans-58.1133.6-178.9-70.4169.7-176.6125.70111.3E66 C67 R68 E95K64-E66 PolarHBondContact O-N 2.82Å; K64-E66 VanDerWaalsContact O-N 3.13Å; K64-C67 CarbonylContact O-C 3.45Å; K64-C67 PolarHBondContact O-N 3.46Å; K64-C67 VanDerWaalsContact O-N 3.14Å; K64-R68 VanDerWaalsContact O-CA 3.22Å; K64-R68 WeakPolarHBondContact O-CA 3.26Å; K64-R68 WeakPolarHBondContact O-CB 3.45Å; K64-R68 PolarHBondContact O-N 2.78Å; K64-E95 IonicContact NZ-OE1 2.72Å
65R95.6Very high98Very high213 Ų21340.6 Ų40.680%0.80419%0.185SC*.G310 helixtrans-56.9-36.1-169-174.2179.265.7167.82.2113.2C67R65-C67 VanDerWaalsContact C-N 3.3Å; R65-C67 PolarHBondContact O-N 2.66Å
66E95.8Very high98Very high145 Ų14538.4 Ų38.468%0.67818%0.176SC*.G310 helixtrans-71.9-24.5-174.4-61.265.7-138.800112.8K64K64-E66 PolarHBondContact O-N 2.82Å; K64-E66 VanDerWaalsContact O-N 3.13Å
67C95.8Very high98Very high29 Ų2943.2 Ų43.220%0.19619%0.192CC..G310 helixtrans-136.924.4-17755.70000112.4E62 K64 R65 G69 S70 R155E62-C67 VanDerWaalsContact CB-O 3.32Å; E62-C67 WeakPolarHBondContact CB-O 3.31Å; K64-C67 CarbonylContact O-C 3.45Å; K64-C67 PolarHBondContact O-N 3.46Å; K64-C67 VanDerWaalsContact O-N 3.14Å; R65-C67 VanDerWaalsContact C-N 3.3Å; R65-C67 PolarHBondContact O-N 2.66Å; C67-G69 PolarHBondContact O-N 3.1Å; C67-S70 WeakPolarHBondContact O-CB 3.2Å; C67-S70 PolarHBondContact O-N 3.39Å; C67-S70 VanDerWaalsContact O-N 3.09Å; C67-S70 PolarHBondContact O-OG 3.14Å; C67-R155 HydrophobicContact CB-CG 4.1Å
68R97.7Very high98Very high165 Ų16543.4 Ų43.462%0.62319%0.192SC*.THydrogen-bonded Turntrans-58.5130.9-171.5-168.5178-178107.6-5.5111.2E62 A63 K64 S70 L140E62-R68 WeakPolarHBondContact O-CA 3.48Å; A63-R68 PolarHBondContact O-NH1 2.91Å; A63-R68 VanDerWaalsContact O-NH1 3.1Å; K64-R68 VanDerWaalsContact O-CA 3.22Å; K64-R68 WeakPolarHBondContact O-CA 3.26Å; K64-R68 WeakPolarHBondContact O-CB 3.45Å; K64-R68 PolarHBondContact O-N 2.78Å; R68-S70 VanDerWaalsContact C-N 3.26Å; R68-S70 PolarHBondContact O-N 3.2Å; R68-L140 HydrophobicContact CG-CD1 4.37Å
69G98.2Very high97.9Very high18 Ų1847.2 Ų47.219%0.18621%0.21CC..THydrogen-bonded Turntrans83.4-8.5179.400000115Q61 E62 C67Q61-G69 PolarHBondContact NE2-O 2.79Å; E62-G69 PolarHBondContact O-N 2.94Å; C67-G69 PolarHBondContact O-N 3.1Å
70S98.7Very high97.8Very high11 Ų1151 Ų518%0.07723%0.234CC..  trans-77.2159.4169.670.50000111.7Q61 E62 C67 R68 P153 R155Q61-S70 WeakPolarHBondContact CA-O 3.44Å; E62-S70 WeakPolarHBondContact CB-O 3.22Å; E62-S70 PolarHBondContact N-O 3.03Å; C67-S70 WeakPolarHBondContact O-CB 3.2Å; C67-S70 PolarHBondContact O-N 3.39Å; C67-S70 VanDerWaalsContact O-N 3.09Å; C67-S70 PolarHBondContact O-OG 3.14Å; R68-S70 VanDerWaalsContact C-N 3.26Å; R68-S70 PolarHBondContact O-N 3.2Å; S70-P153 CarbonylContact C-O 3.57Å; S70-P153 VanDerWaalsContact CA-O 3.24Å; S70-P153 WeakPolarHBondContact CA-O 3.22Å; S70-P153 WeakPolarHBondContact CB-O 3.46Å; S70-R155 WeakPolarHBondContact OG-CB 3.45Å
71W98.9Very high97.7Very high10 Ų1052.9 Ų52.94%0.03826%0.255CS..EExtended strand (participates in β ladder)trans-106.6142.4-177.4-69.885.1000112.4L59 I60 Q61 Q141 A143 Y145 P151 P153 L154 R155L59-W71 HydrophobicContact CB-CE3 3.72Å; L59-W71 HydrophobicContact CB-CZ3 4.3Å; I60-W71 VanDerWaalsContact C-CE3 3.44Å; I60-W71 VanDerWaalsContact O-CA 3.32Å; I60-W71 WeakPolarHBondContact O-CA 3.36Å; Q61-W71 HydrophobicContact CB-CD2 3.96Å; Q61-W71 HydrophobicContact CB-CE3 4.02Å; Q61-W71 HydrophobicContact CB-CH2 3.99Å; Q61-W71 HydrophobicContact CB-CZ2 3.91Å; Q61-W71 HydrophobicContact CB-CZ3 4.03Å; Q61-W71 HydrophobicContact CG-CD2 4.25Å; Q61-W71 HydrophobicContact CG-CZ2 4.21Å; W71-Q141 HydrophobicContact CH2-CG 3.81Å; W71-Q141 HydrophobicContact CZ2-CG 4.34Å; W71-A143 HydrophobicContact CH2-CB 3.91Å; W71-A143 HydrophobicContact CZ3-CB 4.04Å; W71-Y145 HydrophobicContact CD2-CE2 4.37Å; W71-Y145 HydrophobicContact CE3-CE2 4.02Å; W71-Y145 AromaticContact CH2-CE2 3.76Å; W71-Y145 HydrophobicContact CH2-CE2 3.76Å; W71-Y145 WeakPolarHBondContact CH2-OH 3.39Å; W71-Y145 HydrophobicContact CZ2-CE2 4.13Å; W71-Y145 VanDerWaalsContact CZ2-OH 3.23Å; W71-Y145 WeakPolarHBondContact CZ2-OH 3.47Å; W71-Y145 AromaticContact CZ3-CE2 3.71Å; W71-Y145 HydrophobicContact CZ3-CE2 3.71Å; W71-P151 HydrophobicContact CB-CB 4.45Å; W71-P151 HydrophobicContact CB-CG 3.68Å; W71-P151 HydrophobicContact CD2-CB 4.08Å; W71-P151 HydrophobicContact CD2-CG 3.67Å; W71-P151 HydrophobicContact CE3-CG 4.17Å; W71-P151 HydrophobicContact CG-CB 3.85Å; W71-P151 HydrophobicContact CG-CG 3.45Å; W71-P151 VanDerWaalsContact CG-CG 3.45Å; W71-P153 PolarHBondContact N-O 2.75Å; W71-L154 HydrophobicContact CB-CD2 4.15Å; W71-L154 CarbonylContact O-C 3.52Å; W71-L154 WeakPolarHBondContact O-CA 3.45Å; W71-R155 PolarHBondContact O-N 3.38Å
72Y98.9Very high97.7Very high11 Ų1152.2 Ų52.24%0.04325%0.251CS..EExtended strand (participates in β ladder)trans-150.3171.2178.1-149.7-121.4000111.8L47 L59 I60 A75 R117 R155 A156 D158 I159L47-Y72 HydrophobicContact CD1-CE1 4.01Å; L59-Y72 CarbonylContact C-O 3.55Å; L59-Y72 WeakPolarHBondContact CA-O 3.35Å; L59-Y72 WeakPolarHBondContact CD2-O 3.1Å; I60-Y72 PolarHBondContact N-O 3.34Å; I60-Y72 PolarHBondContact O-N 2.89Å; Y72-A75 HydrophobicContact CE1-CB 4.49Å; Y72-R117 PolarHBondContact OH-NH1 3.32Å; Y72-R155 HydrophobicContact CD2-CB 3.68Å; Y72-R155 HydrophobicContact CD2-CG 4.29Å; Y72-R155 HydrophobicContact CE2-CB 4.41Å; Y72-R155 HydrophobicContact CG-CB 4.03Å; Y72-A156 HydrophobicContact CE2-CB 3.84Å; Y72-D158 WeakPolarHBondContact CE2-OD1 3.26Å; Y72-D158 PolarHBondContact OH-OD1 3.32Å; Y72-D158 PolarHBondContact OH-OD2 2.83Å; Y72-I159 HydrophobicContact CD2-CD1 4.05Å; Y72-I159 HydrophobicContact CD2-CG2 3.7Å; Y72-I159 HydrophobicContact CE1-CG2 4.11Å; Y72-I159 HydrophobicContact CE2-CB 4.38Å; Y72-I159 HydrophobicContact CE2-CD1 4.41Å; Y72-I159 HydrophobicContact CE2-CG1 4.46Å; Y72-I159 HydrophobicContact CE2-CG2 3.17Å; Y72-I159 HydrophobicContact CG-CG2 4.38Å
73L98.9Very high97.7Very high1 Ų152.3 Ų52.31%0.00525%0.252CS..  trans-74.1149.8169-68.7172.1000109.9L47 V49 V57 L59 A75 I159 L162 V163L47-L73 HydrophobicContact CD1-CB 4.36Å; L47-L73 HydrophobicContact CD2-CB 4.09Å; L47-L73 HydrophobicContact CD2-CD1 3.62Å; L47-L73 HydrophobicContact CG-CB 4.09Å; L47-L73 HydrophobicContact CG-CD1 4.42Å; V49-L73 HydrophobicContact CG2-CD1 3.89Å; V57-L73 HydrophobicContact CG1-CD2 3.7Å; L59-L73 HydrophobicContact CD2-CD2 3.75Å; L59-L73 HydrophobicContact CD2-CG 4.1Å; L73-A75 PolarHBondContact O-N 2.89Å; L73-I159 HydrophobicContact CB-CG2 4.36Å; L73-I159 HydrophobicContact CD1-CB 3.72Å; L73-I159 HydrophobicContact CD1-CG2 3.69Å; L73-I159 HydrophobicContact CG-CB 4.05Å; L73-I159 HydrophobicContact CG-CD1 4.43Å; L73-I159 HydrophobicContact CG-CG2 3.93Å; L73-L162 HydrophobicContact CD1-CB 4.47Å; L73-V163 HydrophobicContact CD1-CG2 4.37Å; L73-V163 HydrophobicContact CD2-CG2 4.39Å
74P98.8Very high97.7Very high1 Ų152.1 Ų52.11%0.00625%0.25CC..SBendtrans-54.8121.1173.2-19.827.6000110.8L47 A48 F50 L58 I60 V92 E95L47-P74 WeakPolarHBondContact CA-O 3.41Å; A48-P74 HydrophobicContact CB-CB 4.35Å; A48-P74 PolarHBondContact N-O 3.16Å; F50-P74 HydrophobicContact CE2-CG 4.46Å; L58-P74 HydrophobicContact CD2-CG 4.29Å; I60-P74 HydrophobicContact CG2-CB 4.45Å; I60-P74 HydrophobicContact CG2-CG 3.97Å; P74-V92 HydrophobicContact CB-CG2 4Å; P74-E95 VanDerWaalsContact CA-OE2 3.25Å; P74-E95 WeakPolarHBondContact CA-OE2 3.27Å
75A98.7Very high97.9Very high10 Ų1049.7 Ų49.78%0.08324%0.242CC..EExtended strand (participates in β ladder)trans-164137-172.400000113.6V46 L47 Y72 L73 E95V46-A75 VanDerWaalsContact O-CA 3.24Å; V46-A75 WeakPolarHBondContact O-CA 3.46Å; V46-A75 WeakPolarHBondContact O-CB 3.34Å; L47-A75 HydrophobicContact CB-CB 3.88Å; L47-A75 HydrophobicContact CD1-CB 3.99Å; L47-A75 HydrophobicContact CG-CB 3.88Å; Y72-A75 HydrophobicContact CE1-CB 4.49Å; L73-A75 PolarHBondContact O-N 2.89Å; A75-E95 PolarHBondContact N-OE2 3.31Å
76G98.1Very high98Very high11 Ų1142.6 Ų42.611%0.11322%0.218CC..EExtended strand (participates in β ladder)trans-164.2-172.7172.800000114.3V45 V46 E91V45-G76 CarbonylContact C-O 3.19Å; V45-G76 VanDerWaalsContact CA-O 3.29Å; V45-G76 WeakPolarHBondContact CA-O 3.31Å; V45-G76 WeakPolarHBondContact CG1-O 3.48Å; V46-G76 PolarHBondContact N-O 3.31Å; V46-G76 PolarHBondContact O-N 3.22Å; V46-G76 VanDerWaalsContact O-N 3.11Å; G76-E91 VanDerWaalsContact CA-OE1 3.31Å; G76-E91 WeakPolarHBondContact CA-OE1 3.43Å; G76-E91 WeakPolarHBondContact CA-OE2 3.41Å
77R98.4Very high98.1Very high165 Ų16535.7 Ų35.762%0.62319%0.185SC*.EExtended strand (participates in β ladder)trans-91141.1-170.5-70.5180179.4177.10.9109.2Y44 V45 R90 E91Y44-R77 WeakPolarHBondContact O-CA 3.44Å; V45-R77 HydrophobicContact CG2-CG 4.3Å; R77-R90 PolarHBondContact O-NH2 3.42Å; R77-E91 PolarHBondContact N-OE1 3.45Å
78M98.4Very high98.3Very high3 Ų334.4 Ų34.42%0.01518%0.177CC..PPolyproline II helixtrans-62.1145.5170.3-63.8-175.562.900111.7L38 R39 Y44 V46 E82 I84 A87 F118 H259L38-M78 HydrophobicContact CD1-CB 4.33Å; L38-M78 HydrophobicContact CD2-CB 4.47Å; R39-M78 PolarHBondContact NE-O 2.79Å; R39-M78 PolarHBondContact NH2-O 2.88Å; Y44-M78 VanDerWaalsContact CB-SD 3.51Å; Y44-M78 HydrophobicContact CD2-SD 3.88Å; Y44-M78 HydrophobicContact CG-SD 4.22Å; Y44-M78 PolarHBondContact O-N 2.91Å; V46-M78 HydrophobicContact CG1-CG 4.16Å; V46-M78 HydrophobicContact CG1-SD 4.46Å; M78-E82 VanDerWaalsContact CA-OE1 3.3Å; M78-E82 WeakPolarHBondContact CA-OE1 3.18Å; M78-I84 HydrophobicContact CE-CB 4.34Å; M78-I84 HydrophobicContact CE-CG1 3.73Å; M78-I84 HydrophobicContact SD-CB 4.45Å; M78-I84 HydrophobicContact SD-CG1 3.66Å; M78-A87 HydrophobicContact CB-CB 4.43Å; M78-A87 HydrophobicContact CE-CB 4.45Å; M78-A87 HydrophobicContact CG-CB 3.75Å; M78-F118 HydrophobicContact SD-CE2 4.39Å; M78-H259 VanDerWaalsContact CE-NE2 3.33Å; M78-H259 WeakPolarHBondContact CE-NE2 3.25Å
79E97.4Very high98.3Very high80 Ų8029.3 Ų29.337%0.37416%0.16SC..PPolyproline II helixtrans-98.3150.2172.7-46.9-130.3108.500110.6R39 G81 E82R39-E79 IonicContact CZ-OE1 3.53Å; R39-E79 IonicContact NH1-OE1 3.44Å; R39-E79 PolarHBondContact NH1-OE1 2.91Å; R39-E79 IonicContact NH2-OE1 2.71Å; R39-E79 PolarHBondContact NH2-OE1 2.98Å; E79-G81 PolarHBondContact O-N 3.03Å; E79-E82 HydrophobicContact CB-CG 4.33Å; E79-E82 PolarHBondContact N-OE1 3.05Å; E79-E82 WeakPolarHBondContact O-CG 3.47Å
80P96.8Very high98.4Very high79 Ų7930.5 Ų30.551%0.51316%0.159SC..THydrogen-bonded Turntrans-61.3133.1170.3-21.433.8000110.9L38L38-P80 HydrophobicContact CB-CG 4.49Å
81G96.6Very high98.4Very high41 Ų4130.6 Ų30.642%0.42316%0.158SC..THydrogen-bonded Turntrans98.3-6.4176.100000115.6E79 G261E79-G81 PolarHBondContact O-N 3.03Å; G81-G261 CarbonylContact C-O 3.58Å; G81-G261 WeakPolarHBondContact CA-O 3.48Å; G81-G261 PolarHBondContact N-O 3.33Å; G81-G261 VanDerWaalsContact N-O 3.08Å
82E97.8Very high98.4Very high20 Ų2030.2 Ų30.29%0.09316%0.157CC..  trans-108151.5177.477.2-172.217600111.9M78 E79 E86 A87 R90M78-E82 VanDerWaalsContact CA-OE1 3.3Å; M78-E82 WeakPolarHBondContact CA-OE1 3.18Å; E79-E82 HydrophobicContact CB-CG 4.33Å; E79-E82 PolarHBondContact N-OE1 3.05Å; E79-E82 WeakPolarHBondContact O-CG 3.47Å; E82-E86 WeakPolarHBondContact CA-OE2 3.28Å; E82-E86 HydrophobicContact CB-CB 4Å; E82-A87 VanDerWaalsContact CD-CB 3.48Å; E82-A87 HydrophobicContact CG-CB 3.96Å; E82-A87 WeakPolarHBondContact OE1-CA 3.43Å; E82-A87 WeakPolarHBondContact OE1-CB 3.43Å; E82-R90 IonicContact OE1-CZ 2.69Å; E82-R90 IonicContact OE1-NE 3.21Å; E82-R90 IonicContact OE1-NH2 3.92Å; E82-R90 PolarHBondContact OE1-NH2 3.17Å; E82-R90 IonicContact OE2-CZ 2.62Å; E82-R90 IonicContact OE2-NE 2.98Å; E82-R90 PolarHBondContact OE2-NE 2.87Å; E82-R90 IonicContact OE2-NH2 2.72Å
83T98.3Very high98.4Very high3 Ų335.4 Ų35.42%0.01818%0.179CC..  trans-76.5167.9169.877.10000111.1V85 E86 A87 E182 L260T83-V85 PolarHBondContact O-N 2.8Å; T83-V85 PolarHBondContact OG1-N 3.28Å; T83-E86 PolarHBondContact N-OE2 2.77Å; T83-E86 PolarHBondContact O-N 3.47Å; T83-E86 WeakPolarHBondContact OG1-CG 3.28Å; T83-E86 PolarHBondContact OG1-N 2.94Å; T83-E86 VanDerWaalsContact OG1-N 3.14Å; T83-A87 WeakPolarHBondContact O-CB 3.5Å; T83-A87 PolarHBondContact O-N 3.5Å; T83-E182 HydrophobicContact CG2-CG 4.18Å; T83-L260 WeakPolarHBondContact CG2-O 3.17Å
84I98.6Very high98.4Very high1 Ų138.8 Ų38.81%0.00520%0.195CC..Hα-helixtrans-58.3-38174.6-71.3165.1000111.2V46 M78 L88 F118 F120 P180 L257 H259V46-I84 HydrophobicContact CG1-CG2 4Å; M78-I84 HydrophobicContact CE-CB 4.34Å; M78-I84 HydrophobicContact CE-CG1 3.73Å; M78-I84 HydrophobicContact SD-CB 4.45Å; M78-I84 HydrophobicContact SD-CG1 3.66Å; I84-L88 PolarHBondContact O-N 2.81Å; I84-L88 VanDerWaalsContact O-N 3.13Å; I84-F118 HydrophobicContact CD1-CD1 4.46Å; I84-F118 HydrophobicContact CD1-CD2 4.09Å; I84-F118 HydrophobicContact CD1-CE1 4.15Å; I84-F118 HydrophobicContact CD1-CE2 3.73Å; I84-F118 HydrophobicContact CD1-CG 4.44Å; I84-F118 HydrophobicContact CD1-CZ 3.78Å; I84-F118 HydrophobicContact CG1-CD2 4.17Å; I84-F118 HydrophobicContact CG1-CE2 4.03Å; I84-F118 HydrophobicContact CG2-CB 4.33Å; I84-F118 HydrophobicContact CG2-CD2 4.16Å; I84-F118 HydrophobicContact CG2-CG 4.26Å; I84-F120 HydrophobicContact CG2-CE2 3.49Å; I84-F120 VanDerWaalsContact CG2-CE2 3.49Å; I84-F120 HydrophobicContact CG2-CZ 3.6Å; I84-P180 HydrophobicContact CB-CG 4.08Å; I84-P180 HydrophobicContact CD1-CB 4.47Å; I84-P180 HydrophobicContact CD1-CG 4.38Å; I84-P180 HydrophobicContact CG2-CG 3.92Å; I84-L257 HydrophobicContact CD1-CD1 3.48Å; I84-L257 VanDerWaalsContact CD1-CD1 3.48Å; I84-H259 HydrophobicContact CD1-CB 3.51Å; I84-H259 HydrophobicContact CG1-CB 4.13Å
85V98.7Very high98.4Very high26 Ų2638.8 Ų38.816%0.15820%0.195CC..Hα-helixtrans-74.5-40.9-178.81770000110.9T83 A87 L88 Q89 P102 P180T83-V85 PolarHBondContact O-N 2.8Å; T83-V85 PolarHBondContact OG1-N 3.28Å; V85-A87 VanDerWaalsContact C-N 3.32Å; V85-A87 PolarHBondContact O-N 3.16Å; V85-L88 WeakPolarHBondContact O-CB 3.21Å; V85-L88 PolarHBondContact O-N 3.4Å; V85-Q89 HydrophobicContact CG1-CG 4.45Å; V85-Q89 WeakPolarHBondContact O-CG 3.34Å; V85-Q89 PolarHBondContact O-N 3.08Å; V85-P102 HydrophobicContact CG1-CG 3.86Å; V85-P102 HydrophobicContact CG2-CG 4.16Å; V85-P180 HydrophobicContact CG2-CG 4.16Å
86E98.8Very high98.4Very high65 Ų6538.3 Ų38.330%0.30419%0.191SC..Hα-helixtrans-60-43.7174.7-71.5175.3149.900111.2E82 T83 L88 Q89 R90 R262E82-E86 WeakPolarHBondContact CA-OE2 3.28Å; E82-E86 HydrophobicContact CB-CB 4Å; T83-E86 PolarHBondContact N-OE2 2.77Å; T83-E86 PolarHBondContact O-N 3.47Å; T83-E86 WeakPolarHBondContact OG1-CG 3.28Å; T83-E86 PolarHBondContact OG1-N 2.94Å; T83-E86 VanDerWaalsContact OG1-N 3.14Å; E86-L88 PolarHBondContact O-N 2.72Å; E86-Q89 PolarHBondContact O-N 2.77Å; E86-R90 WeakPolarHBondContact O-CB 3.43Å; E86-R90 PolarHBondContact O-N 3.34Å; E86-R262 VanDerWaalsContact CD-NH2 3.31Å; E86-R262 IonicContact OE1-CZ 3.39Å; E86-R262 IonicContact OE1-NH2 3.24Å; E86-R262 PolarHBondContact OE1-NH2 2.72Å; E86-R262 IonicContact OE2-NH2 2.76Å; E86-R262 PolarHBondContact OE2-NH2 2.92Å; E86-R262 VanDerWaalsContact OE2-NH2 3.13Å
87A98.8Very high98.4Very high0 Ų038.7 Ų38.70%020%0.195CC..Hα-helixtrans-57.1-47.8173.800000111.7V46 M78 E82 T83 V85 Q89 R90 E91V46-A87 HydrophobicContact CG1-CB 4.04Å; V46-A87 HydrophobicContact CG2-CB 3.95Å; M78-A87 HydrophobicContact CB-CB 4.43Å; M78-A87 HydrophobicContact CE-CB 4.45Å; M78-A87 HydrophobicContact CG-CB 3.75Å; E82-A87 VanDerWaalsContact CD-CB 3.48Å; E82-A87 HydrophobicContact CG-CB 3.96Å; E82-A87 WeakPolarHBondContact OE1-CA 3.43Å; E82-A87 WeakPolarHBondContact OE1-CB 3.43Å; T83-A87 WeakPolarHBondContact O-CB 3.5Å; T83-A87 PolarHBondContact O-N 3.5Å; V85-A87 VanDerWaalsContact C-N 3.32Å; V85-A87 PolarHBondContact O-N 3.16Å; A87-Q89 VanDerWaalsContact C-N 3.32Å; A87-Q89 PolarHBondContact O-N 2.86Å; A87-R90 PolarHBondContact O-N 2.94Å; A87-E91 VanDerWaalsContact O-CG 3.23Å; A87-E91 WeakPolarHBondContact O-CG 3.23Å; A87-E91 PolarHBondContact O-N 2.95Å
88L98.9Very high98.4Very high2 Ų231.6 Ų31.61%0.0117%0.17CC..Hα-helixtrans-59-45.5179.4-176.475.6000111.1V46 A48 I84 V85 E86 V92 P102 F120V46-L88 HydrophobicContact CB-CB 4.34Å; V46-L88 HydrophobicContact CB-CD1 4.14Å; V46-L88 HydrophobicContact CG2-CB 4.45Å; A48-L88 HydrophobicContact CB-CD1 3.72Å; I84-L88 PolarHBondContact O-N 2.81Å; I84-L88 VanDerWaalsContact O-N 3.13Å; V85-L88 WeakPolarHBondContact O-CB 3.21Å; V85-L88 PolarHBondContact O-N 3.4Å; E86-L88 PolarHBondContact O-N 2.72Å; L88-V92 VanDerWaalsContact O-CG2 3.29Å; L88-V92 WeakPolarHBondContact O-CG2 2.88Å; L88-V92 PolarHBondContact O-N 2.71Å; L88-V92 VanDerWaalsContact O-N 3.1Å; L88-P102 HydrophobicContact CD2-CB 3.9Å; L88-F120 HydrophobicContact CD1-CB 4.21Å; L88-F120 HydrophobicContact CD1-CD2 4Å; L88-F120 HydrophobicContact CD1-CG 4.46Å; L88-F120 HydrophobicContact CD2-CB 3.68Å; L88-F120 HydrophobicContact CD2-CD1 4.49Å; L88-F120 HydrophobicContact CD2-CD2 3.86Å; L88-F120 HydrophobicContact CD2-CG 3.75Å; L88-F120 HydrophobicContact CG-CD2 4.44Å
89Q98.9Very high98.4Very high58 Ų5835.8 Ų35.827%0.27119%0.189SC..Hα-helixtrans-66.5-40.6180-70.8174.3-26.900112.2V85 E86 A87 K93 C100 E101V85-Q89 HydrophobicContact CG1-CG 4.45Å; V85-Q89 WeakPolarHBondContact O-CG 3.34Å; V85-Q89 PolarHBondContact O-N 3.08Å; E86-Q89 PolarHBondContact O-N 2.77Å; A87-Q89 VanDerWaalsContact C-N 3.32Å; A87-Q89 PolarHBondContact O-N 2.86Å; Q89-K93 VanDerWaalsContact O-CB 3.27Å; Q89-K93 WeakPolarHBondContact O-CB 3.16Å; Q89-K93 PolarHBondContact O-N 3.2Å; Q89-C100 WeakPolarHBondContact CG-O 3.09Å; Q89-C100 PolarHBondContact NE2-O 2.86Å; Q89-E101 PolarHBondContact NE2-OE1 2.87Å; Q89-E101 PolarHBondContact NE2-OE2 2.76Å
90R98.8Very high98.5Very high43 Ų4332.1 Ų32.116%0.16217%0.172CC..Hα-helixtrans-61.1-53175.9178.2-17853.467.13111R77 E82 E86 A87 V92 K93 E94R77-R90 PolarHBondContact O-NH2 3.42Å; E82-R90 IonicContact OE1-CZ 2.69Å; E82-R90 IonicContact OE1-NE 3.21Å; E82-R90 IonicContact OE1-NH2 3.92Å; E82-R90 PolarHBondContact OE1-NH2 3.17Å; E82-R90 IonicContact OE2-CZ 2.62Å; E82-R90 IonicContact OE2-NE 2.98Å; E82-R90 PolarHBondContact OE2-NE 2.87Å; E82-R90 IonicContact OE2-NH2 2.72Å; E86-R90 WeakPolarHBondContact O-CB 3.43Å; E86-R90 PolarHBondContact O-N 3.34Å; A87-R90 PolarHBondContact O-N 2.94Å; R90-V92 PolarHBondContact O-N 2.94Å; R90-K93 WeakPolarHBondContact O-CB 3.17Å; R90-K93 PolarHBondContact O-N 2.84Å; R90-K93 VanDerWaalsContact O-N 3.08Å; R90-E94 VanDerWaalsContact CG-CD 3.46Å; R90-E94 HydrophobicContact CG-CG 4.29Å; R90-E94 VanDerWaalsContact CG-OE1 3.25Å; R90-E94 WeakPolarHBondContact CG-OE1 3.26Å; R90-E94 IonicContact NH1-OE2 3.48Å; R90-E94 PolarHBondContact NH1-OE2 3.25Å; R90-E94 WeakPolarHBondContact O-CB 3.38Å; R90-E94 WeakPolarHBondContact O-CG 3.44Å; R90-E94 PolarHBondContact O-N 2.96Å
91E98.8Very high98.6Very high13 Ų1332 Ų326%0.06117%0.165CC..Hα-helixtrans-59.5-44.5-178.9-66.5-70.4169.500111.6V46 G76 R77 A87 K93 E94 E95V46-E91 HydrophobicContact CG2-CG 3.9Å; G76-E91 VanDerWaalsContact CA-OE1 3.31Å; G76-E91 WeakPolarHBondContact CA-OE1 3.43Å; G76-E91 WeakPolarHBondContact CA-OE2 3.41Å; R77-E91 PolarHBondContact N-OE1 3.45Å; A87-E91 VanDerWaalsContact O-CG 3.23Å; A87-E91 WeakPolarHBondContact O-CG 3.23Å; A87-E91 PolarHBondContact O-N 2.95Å; E91-K93 VanDerWaalsContact C-N 3.31Å; E91-K93 PolarHBondContact O-N 2.97Å; E91-E94 PolarHBondContact O-N 3.14Å; E91-E95 WeakPolarHBondContact O-CB 3.43Å; E91-E95 PolarHBondContact O-N 3.08Å
92V98.9Very high98.7Very high1 Ų130.6 Ų30.61%0.00615%0.148CC..Hα-helixtrans-62.8-39.2176.1171.90000111.6A48 F50 P74 L88 R90 A96 G97 L98 C100A48-V92 HydrophobicContact CB-CG2 3.57Å; F50-V92 HydrophobicContact CE2-CG1 4.08Å; F50-V92 HydrophobicContact CE2-CG2 3.85Å; F50-V92 HydrophobicContact CZ-CG1 3.8Å; F50-V92 HydrophobicContact CZ-CG2 4Å; P74-V92 HydrophobicContact CB-CG2 4Å; L88-V92 VanDerWaalsContact O-CG2 3.29Å; L88-V92 WeakPolarHBondContact O-CG2 2.88Å; L88-V92 PolarHBondContact O-N 2.71Å; L88-V92 VanDerWaalsContact O-N 3.1Å; R90-V92 PolarHBondContact O-N 2.94Å; V92-A96 CarbonylContact O-C 3.51Å; V92-A96 WeakPolarHBondContact O-CA 3.43Å; V92-A96 WeakPolarHBondContact O-CB 3.43Å; V92-A96 PolarHBondContact O-N 2.8Å; V92-G97 PolarHBondContact O-N 2.95Å; V92-L98 HydrophobicContact CG1-CB 4.11Å; V92-C100 HydrophobicContact CG1-CB 4.17Å
93K98.9Very high98.7Very high120 Ų12031.8 Ų31.852%0.52215%0.154SC..Hα-helixtrans-68.8-43.6179.1-174.6176.7-179.81760112Q89 R90 E91 G97 L98Q89-K93 VanDerWaalsContact O-CB 3.27Å; Q89-K93 WeakPolarHBondContact O-CB 3.16Å; Q89-K93 PolarHBondContact O-N 3.2Å; R90-K93 WeakPolarHBondContact O-CB 3.17Å; R90-K93 PolarHBondContact O-N 2.84Å; R90-K93 VanDerWaalsContact O-N 3.08Å; E91-K93 VanDerWaalsContact C-N 3.31Å; E91-K93 PolarHBondContact O-N 2.97Å; K93-G97 WeakPolarHBondContact O-CA 3.24Å; K93-G97 PolarHBondContact O-N 2.96Å; K93-L98 WeakPolarHBondContact CA-O 3.36Å
94E98.6Very high98.7Very high72 Ų7231.7 Ų31.734%0.33615%0.153SC..Hα-helixtrans-67.2-47.5180-73.8170.5170.900111.7R90 E91 K130 E138R90-E94 VanDerWaalsContact CG-CD 3.46Å; R90-E94 HydrophobicContact CG-CG 4.29Å; R90-E94 VanDerWaalsContact CG-OE1 3.25Å; R90-E94 WeakPolarHBondContact CG-OE1 3.26Å; R90-E94 IonicContact NH1-OE2 3.48Å; R90-E94 PolarHBondContact NH1-OE2 3.25Å; R90-E94 WeakPolarHBondContact O-CB 3.38Å; R90-E94 WeakPolarHBondContact O-CG 3.44Å; R90-E94 PolarHBondContact O-N 2.96Å; E91-E94 PolarHBondContact O-N 3.14Å; E94-K130 PolarHBondContact O-NZ 3.41Å; E94-E138 HydrophobicContact CB-CB 4.44Å; E94-E138 HydrophobicContact CB-CG 4.18Å
95E98.8Very high98.6Very high1 Ų131.6 Ų31.61%0.00515%0.153CC..Hα-helixtrans-87.5-28.5-173.3-60.7-171.7142.700113.2I60 K64 P74 A75 E91 S139I60-E95 HydrophobicContact CB-CB 4.37Å; I60-E95 HydrophobicContact CG1-CB 4.32Å; I60-E95 HydrophobicContact CG2-CB 3.92Å; I60-E95 WeakPolarHBondContact CG2-O 3.18Å; K64-E95 IonicContact NZ-OE1 2.72Å; P74-E95 VanDerWaalsContact CA-OE2 3.25Å; P74-E95 WeakPolarHBondContact CA-OE2 3.27Å; A75-E95 PolarHBondContact N-OE2 3.31Å; E91-E95 WeakPolarHBondContact O-CB 3.43Å; E91-E95 PolarHBondContact O-N 3.08Å; E95-S139 WeakPolarHBondContact CA-OG 3.33Å; E95-S139 WeakPolarHBondContact O-CB 3.47Å; E95-S139 PolarHBondContact O-OG 2.92Å
96A98.8Very high98.6Very high0 Ų030.7 Ų30.70%015%0.147CC..Hα-helixtrans-124.2-7.4-175.700000115.6L58 I60 V92 L98 K130 A142L58-A96 HydrophobicContact CD2-CB 3.99Å; I60-A96 HydrophobicContact CG2-CB 3.98Å; V92-A96 CarbonylContact O-C 3.51Å; V92-A96 WeakPolarHBondContact O-CA 3.43Å; V92-A96 WeakPolarHBondContact O-CB 3.43Å; V92-A96 PolarHBondContact O-N 2.8Å; A96-L98 PolarHBondContact O-N 2.92Å; A96-K130 PolarHBondContact O-N 2.83Å; A96-A142 HydrophobicContact CB-CB 3.64Å
97G98.8Very high98.5Very high20 Ų2027.6 Ų27.621%0.20613%0.132CC..  trans73.72.3178.300000114.9V92 K93 I128V92-G97 PolarHBondContact O-N 2.95Å; K93-G97 WeakPolarHBondContact O-CA 3.24Å; K93-G97 PolarHBondContact O-N 2.96Å; G97-I128 CarbonylContact C-O 3.59Å; G97-I128 VanDerWaalsContact CA-O 3.28Å; G97-I128 WeakPolarHBondContact CA-O 3.44Å; G97-I128 PolarHBondContact O-N 2.96Å
98L98.8Very high98.5Very high16 Ų1627.6 Ų27.68%0.08413%0.132CC..EExtended strand (participates in β ladder)trans-94.2149.2-176.8-60.2-176.8000111.7L58 V92 K93 A96 P124 L129L58-L98 HydrophobicContact CD1-CD1 4.46Å; L58-L98 HydrophobicContact CD2-CD1 3.73Å; V92-L98 HydrophobicContact CG1-CB 4.11Å; K93-L98 WeakPolarHBondContact CA-O 3.36Å; A96-L98 PolarHBondContact O-N 2.92Å; L98-P124 HydrophobicContact CD1-CB 4.44Å; L98-L129 HydrophobicContact CD1-CD1 4.3Å; L98-L129 HydrophobicContact CD2-CB 4.28Å; L98-L129 HydrophobicContact CG-CD1 4.43Å
99H98.9Very high98.4Very high90 Ų9028.6 Ų28.642%0.41714%0.137SC..EExtended strand (participates in β ladder)trans-87145158.8-59.5164.1000108.6P124 T125 G126H99-P124 WeakPolarHBondContact O-CA 3.27Å; H99-T125 PolarHBondContact O-N 3.49Å; H99-T125 PolarHBondContact O-OG1 2.9Å; H99-G126 PolarHBondContact N-O 2.8Å
100C98.8Very high98.3Very high3 Ų326.4 Ų26.42%0.0213%0.127CC..EExtended strand (participates in β ladder)trans-144.9161.2179.867.30000113F50 Q89 V92 R123 T125F50-C100 HydrophobicContact CE1-CB 3.77Å; F50-C100 HydrophobicContact CZ-CB 3.58Å; Q89-C100 WeakPolarHBondContact CG-O 3.09Å; Q89-C100 PolarHBondContact NE2-O 2.86Å; V92-C100 HydrophobicContact CG1-CB 4.17Å; C100-R123 WeakPolarHBondContact CA-O 3.21Å; C100-R123 WeakPolarHBondContact CB-O 3.47Å; C100-T125 PolarHBondContact N-OG1 2.91Å
101E98.6Very high98Very high77 Ų7731.8 Ų31.836%0.3615%0.147SC..EExtended strand (participates in β ladder)trans-124.8138.7166.9-70.1-62.7158.100109.2Q89 A122 R123 T125Q89-E101 PolarHBondContact NE2-OE1 2.87Å; Q89-E101 PolarHBondContact NE2-OE2 2.76Å; E101-A122 WeakPolarHBondContact O-CA 3.24Å; E101-R123 HydrophobicContact CB-CG 4.46Å; E101-R123 PolarHBondContact N-O 3.11Å; E101-R123 PolarHBondContact O-N 3.5Å; E101-T125 HydrophobicContact CB-CG2 4.06Å; E101-T125 HydrophobicContact CG-CG2 3.68Å
102P98.4Very high97.6Very high12 Ų1231.2 Ų31.28%0.07814%0.144CC..EExtended strand (participates in β ladder)trans-70.3140.1171.632.3-34.9000109.7V85 L88 F120 L179V85-P102 HydrophobicContact CG1-CG 3.86Å; V85-P102 HydrophobicContact CG2-CG 4.16Å; L88-P102 HydrophobicContact CD2-CB 3.9Å; P102-F120 HydrophobicContact CB-CB 4.46Å; P102-F120 HydrophobicContact CB-CD1 3.79Å; P102-F120 HydrophobicContact CB-CE1 4.41Å; P102-F120 HydrophobicContact CB-CG 4.31Å; P102-L179 HydrophobicContact CB-CD2 3.69Å; P102-L179 HydrophobicContact CG-CD1 4.46Å; P102-L179 HydrophobicContact CG-CD2 3.83Å
103E97.5Very high97.1Very high45 Ų4531.1 Ų31.121%0.2114%0.144CC..EExtended strand (participates in β ladder)trans-94.9-45.4172.1-67-173.7-141.400111.4L121 R123 R170 L177E103-L121 HydrophobicContact CB-CG 4.47Å; E103-L121 PolarHBondContact N-O 2.7Å; E103-R123 HydrophobicContact CG-CB 4.38Å; E103-R123 HydrophobicContact CG-CG 3.99Å; E103-R123 WeakPolarHBondContact OE1-CB 3.47Å; E103-R170 VanDerWaalsContact CD-NH2 3.3Å; E103-R170 IonicContact OE1-CZ 3.04Å; E103-R170 IonicContact OE1-NH1 3.49Å; E103-R170 IonicContact OE1-NH2 3.53Å; E103-R170 PolarHBondContact OE1-NH2 3.04Å; E103-R170 IonicContact OE2-CZ 3.84Å; E103-R170 IonicContact OE2-NH1 3.41Å; E103-R170 PolarHBondContact OE2-NH1 3.45Å; E103-R170 IonicContact OE2-NH2 2.64Å; E103-R170 PolarHBondContact OE2-NH2 3.1Å; E103-L177 WeakPolarHBondContact O-CD2 3.37Å
104T97.8Very high96.9Very high0 Ų026.9 Ų26.90%013%0.13CC..EExtended strand (participates in β ladder)trans-159.4156.1175-168.20000110.5L106 F120 L121 Y169 H175 I178T104-L106 HydrophobicContact CG2-CD2 4.13Å; T104-L106 PolarHBondContact O-N 2.8Å; T104-F120 WeakPolarHBondContact O-CA 3.48Å; T104-L121 HydrophobicContact CG2-CB 4.11Å; T104-L121 PolarHBondContact N-O 3.15Å; T104-L121 PolarHBondContact O-N 3.43Å; T104-Y169 HydrophobicContact CG2-CD1 4.15Å; T104-Y169 HydrophobicContact CG2-CD2 4.19Å; T104-Y169 HydrophobicContact CG2-CE1 3.73Å; T104-Y169 HydrophobicContact CG2-CE2 3.8Å; T104-Y169 HydrophobicContact CG2-CG 4.37Å; T104-H175 PolarHBondContact OG1-CE1 3.43Å; T104-I178 PolarHBondContact OG1-N 3.31Å; T104-I178 VanDerWaalsContact OG1-N 3.11Å; T104-I178 PolarHBondContact OG1-O 2.69Å
105L98.2Very high96.8Very high0 Ų026.1 Ų26.10%012%0.123CC..EExtended strand (participates in β ladder)trans-69.4123160.3-169.472.6000109.3V108 F118 F120 H175 I178 L257 V319L105-V108 HydrophobicContact CD1-CG2 4.32Å; L105-V108 HydrophobicContact CD2-CG2 3.53Å; L105-V108 HydrophobicContact CG-CG2 4.25Å; L105-F118 HydrophobicContact CD1-CB 4.05Å; L105-F118 HydrophobicContact CD1-CD1 4.46Å; L105-F120 HydrophobicContact CB-CD1 4.38Å; L105-F120 HydrophobicContact CB-CE1 4.07Å; L105-F120 HydrophobicContact CD1-CD1 4.19Å; L105-F120 HydrophobicContact CD1-CD2 4.36Å; L105-F120 HydrophobicContact CD1-CE1 3.75Å; L105-F120 HydrophobicContact CD1-CE2 3.96Å; L105-F120 HydrophobicContact CD1-CG 4.47Å; L105-F120 HydrophobicContact CD1-CZ 3.63Å; L105-H175 PolarHBondContact O-CE1 3.37Å; L105-I178 WeakPolarHBondContact CB-O 3.33Å; L105-I178 PolarHBondContact N-O 3.18Å; L105-L257 HydrophobicContact CD1-CD2 4.29Å; L105-L257 HydrophobicContact CD2-CD2 3.35Å; L105-L257 HydrophobicContact CG-CD2 4.38Å; L105-V319 HydrophobicContact CB-CG2 4.47Å; L105-V319 HydrophobicContact CD2-CB 4.5Å; L105-V319 HydrophobicContact CD2-CG1 3.93Å; L105-V319 HydrophobicContact CD2-CG2 4.44Å; L105-V319 HydrophobicContact CG-CG1 3.99Å
106L97.6Very high96.7Very high6 Ų626 Ų263%0.03112%0.123CC..EExtended strand (participates in β ladder)trans-90.6-35.3177.4-72.4174.9000112.4V49 T104 V119 L121 A166 Y169 P320V49-L106 HydrophobicContact CB-CD1 4.11Å; V49-L106 HydrophobicContact CG2-CD1 4.07Å; T104-L106 HydrophobicContact CG2-CD2 4.13Å; T104-L106 PolarHBondContact O-N 2.8Å; L106-V119 HydrophobicContact CB-CG1 4.26Å; L106-V119 HydrophobicContact CD1-CG1 4.48Å; L106-V119 PolarHBondContact N-O 2.64Å; L106-L121 HydrophobicContact CD1-CB 3.77Å; L106-L121 HydrophobicContact CD2-CB 4.04Å; L106-L121 HydrophobicContact CD2-CD2 4.31Å; L106-L121 HydrophobicContact CG-CB 3.76Å; L106-A166 HydrophobicContact CD1-CB 3.85Å; L106-Y169 HydrophobicContact CD2-CD2 4.21Å; L106-Y169 HydrophobicContact CD2-CG 4Å; L106-P320 WeakPolarHBondContact O-CD 3.18Å; L106-P320 WeakPolarHBondContact O-CG 3.5Å
107S97.6Very high96.7Very high0 Ų026.7 Ų26.70%013%0.126CC..EExtended strand (participates in β ladder)trans-159.7150.8-178.1-173.80000110.1V119 N322S107-V119 PolarHBondContact N-O 2.89Å; S107-V119 PolarHBondContact O-N 2.76Å; S107-N322 PolarHBondContact OG-ND2 3.14Å; S107-N322 VanDerWaalsContact OG-ND2 3.07Å
108V98.1Very high96.7Very high0 Ų025.7 Ų25.70%012%0.116CC..EExtended strand (participates in β ladder)trans-111.7138.1159178.10000107.7L105 V116 R117 F118 L254 P320 V321 N322L105-V108 HydrophobicContact CD1-CG2 4.32Å; L105-V108 HydrophobicContact CD2-CG2 3.53Å; L105-V108 HydrophobicContact CG-CG2 4.25Å; V108-V116 HydrophobicContact CG1-CG1 3.61Å; V108-R117 WeakPolarHBondContact CA-O 3.41Å; V108-F118 HydrophobicContact CG1-CD1 4.49Å; V108-F118 HydrophobicContact CG1-CE1 4.45Å; V108-F118 HydrophobicContact CG2-CD1 4.01Å; V108-F118 HydrophobicContact CG2-CE1 4.42Å; V108-L254 HydrophobicContact CB-CD1 3.94Å; V108-L254 HydrophobicContact CG2-CD1 3.44Å; V108-L254 VanDerWaalsContact CG2-CD1 3.44Å; V108-P320 PolarHBondContact N-O 2.75Å; V108-V321 CarbonylContact O-C 3.49Å; V108-V321 VanDerWaalsContact O-CA 3.26Å; V108-V321 WeakPolarHBondContact O-CA 3.5Å; V108-N322 PolarHBondContact O-N 2.82Å
109E97.9Very high96.7Very high24 Ų2425 Ų2511%0.11211%0.112CC..EExtended strand (participates in β ladder)trans-122.6143.9174.5-57.7175.5167.200110.1V116 R117 N322E109-V116 CarbonylContact O-C 3.52Å; E109-V116 VanDerWaalsContact O-CA 3.29Å; E109-V116 WeakPolarHBondContact O-CA 3.27Å; E109-R117 HydrophobicContact CB-CB 4.29Å; E109-R117 VanDerWaalsContact CD-NH2 3.3Å; E109-R117 PolarHBondContact N-O 3.16Å; E109-R117 PolarHBondContact O-N 2.9Å; E109-R117 IonicContact OE1-NH2 2.71Å; E109-R117 PolarHBondContact OE1-NH2 3.19Å; E109-R117 IonicContact OE2-CZ 2.97Å; E109-R117 IonicContact OE2-NE 3.13Å; E109-R117 PolarHBondContact OE2-NE 3.47Å; E109-R117 IonicContact OE2-NH2 2.62Å; E109-R117 PolarHBondContact OE2-NH2 3.29Å; E109-N322 CarbonylContact C-O 3.51Å; E109-N322 VanDerWaalsContact CA-O 3.24Å; E109-N322 WeakPolarHBondContact CA-O 3.33Å; E109-N322 HydrophobicContact CG-CB 4.19Å
110E95.2Very high96.7Very high12 Ų1220.7 Ų20.76%0.0569%0.092CC..EExtended strand (participates in β ladder)trans-128.7145.7178.861.2159.6-166.900112.8W115 G229 M230 V321 N322 R323E110-W115 WeakPolarHBondContact CA-O 3.41Å; E110-G229 WeakPolarHBondContact OE1-CA 3.23Å; E110-M230 HydrophobicContact CB-CE 3.73Å; E110-M230 HydrophobicContact CG-CE 4.06Å; E110-M230 PolarHBondContact OE1-N 3.3Å; E110-M230 VanDerWaalsContact OE1-N 3.16Å; E110-M230 WeakPolarHBondContact OE2-CB 3.39Å; E110-M230 WeakPolarHBondContact OE2-CE 3.23Å; E110-M230 WeakPolarHBondContact OE2-CG 3.27Å; E110-M230 PolarHBondContact OE2-N 2.63Å; E110-V321 HydrophobicContact CG-CG1 4.44Å; E110-N322 PolarHBondContact N-O 3.44Å; E110-R323 HydrophobicContact CG-CB 4.45Å; E110-R323 WeakPolarHBondContact O-CA 3.22Å; E110-R323 WeakPolarHBondContact O-CG 3.45Å
111R93.1Very high96.7Very high156 Ų15620.5 Ų20.559%0.5899%0.091SC*.SBendtrans-123.856.5167.3-66.6178.9-175.9175.74.6108.7W115R111-W115 HydrophobicContact CB-CB 4.18Å; R111-W115 HydrophobicContact CB-CD2 4.2Å; R111-W115 HydrophobicContact CB-CE3 3.71Å; R111-W115 HydrophobicContact CB-CG 4.42Å; R111-W115 HydrophobicContact CB-CZ3 4.48Å; R111-W115 HydrophobicContact CG-CD2 4.33Å; R111-W115 HydrophobicContact CG-CE3 3.56Å; R111-W115 HydrophobicContact CG-CZ3 3.85Å; R111-W115 PolarHBondContact N-O 3.04Å
112G90.6Very high96.7Very high0 Ų016.9 Ų16.90%07%0.074CC..SBendtrans85.4161.8-162.900000111.5S114 W115G112-S114 PolarHBondContact O-N 3.47Å; G112-W115 PolarHBondContact O-N 3.21Å
113P88.6Confident96.7Very high0 Ų022 Ų220%09%0.092CC..THydrogen-bonded Turntrans-61.5-15.5-177.822.5-33.5000114.5V188 C219 G220 L221 Q226 M230P113-V188 HydrophobicContact CB-CG1 4.29Å; P113-C219 HydrophobicContact CB-CB 3.77Å; P113-C219 HydrophobicContact CG-CB 4.33Å; P113-G220 WeakPolarHBondContact CG-O 3.35Å; P113-L221 HydrophobicContact CB-CD2 3.94Å; P113-L221 HydrophobicContact CG-CD2 4.01Å; P113-Q226 VanDerWaalsContact CD-OE1 3.25Å; P113-M230 HydrophobicContact CB-CG 4.08Å
114S93.7Very high96.8Very high31 Ų3123 Ų2322%0.21710%0.102CC..THydrogen-bonded Turntrans-84.1-7.7174.3-77.10000115.2N41 V42 C43 G112 Q226N41-S114 WeakPolarHBondContact O-CB 3.18Å; N41-S114 PolarHBondContact O-OG 2.97Å; V42-S114 CarbonylContact C-O 3.58Å; V42-S114 WeakPolarHBondContact CA-O 3.36Å; C43-S114 PolarHBondContact N-O 3.42Å; G112-S114 PolarHBondContact O-N 3.47Å; S114-Q226 PolarHBondContact OG-NE2 3.48Å
115W96.8Very high96.8Very high55 Ų5526.1 Ų26.121%0.20812%0.122CC..EExtended strand (participates in β ladder)trans-137.7116.4176.8-171.293.2000110.4C43 V45 E110 R111 G112 R117C43-W115 WeakPolarHBondContact O-CA 3.47Å; V45-W115 HydrophobicContact CG2-CZ2 3.99Å; E110-W115 WeakPolarHBondContact CA-O 3.41Å; R111-W115 HydrophobicContact CB-CB 4.18Å; R111-W115 HydrophobicContact CB-CD2 4.2Å; R111-W115 HydrophobicContact CB-CE3 3.71Å; R111-W115 HydrophobicContact CB-CG 4.42Å; R111-W115 HydrophobicContact CB-CZ3 4.48Å; R111-W115 HydrophobicContact CG-CD2 4.33Å; R111-W115 HydrophobicContact CG-CE3 3.56Å; R111-W115 HydrophobicContact CG-CZ3 3.85Å; R111-W115 PolarHBondContact N-O 3.04Å; G112-W115 PolarHBondContact O-N 3.21Å; W115-R117 HydrophobicContact CH2-CB 3.61Å; W115-R117 HydrophobicContact CH2-CG 4.44Å; W115-R117 HydrophobicContact CZ2-CB 4.29Å; W115-R117 HydrophobicContact CZ3-CB 3.87Å
116V98Very high96.8Very high0 Ų027.8 Ų27.80%014%0.138CC..EExtended strand (participates in β ladder)trans-132.4133.5-177-176.30000109.6C43 Y44 V45 V108 E109 F118 M230 I268C43-V116 PolarHBondContact O-N 2.92Å; Y44-V116 CarbonylContact C-O 3.12Å; Y44-V116 VanDerWaalsContact CA-O 3.29Å; Y44-V116 WeakPolarHBondContact CA-O 3.39Å; Y44-V116 HydrophobicContact CD1-CB 4Å; Y44-V116 HydrophobicContact CD1-CG2 4.38Å; Y44-V116 HydrophobicContact CE1-CB 4.46Å; Y44-V116 HydrophobicContact CE1-CG2 4.38Å; V45-V116 PolarHBondContact N-O 3.44Å; V108-V116 HydrophobicContact CG1-CG1 3.61Å; E109-V116 CarbonylContact O-C 3.52Å; E109-V116 VanDerWaalsContact O-CA 3.29Å; E109-V116 WeakPolarHBondContact O-CA 3.27Å; V116-F118 HydrophobicContact CB-CZ 4.45Å; V116-F118 HydrophobicContact CG1-CD1 4.41Å; V116-F118 HydrophobicContact CG1-CE1 3.82Å; V116-F118 HydrophobicContact CG1-CE2 4.24Å; V116-F118 HydrophobicContact CG1-CZ 3.72Å; V116-M230 HydrophobicContact CG2-CE 4.46Å; V116-I268 HydrophobicContact CG1-CD1 4.41Å; V116-I268 HydrophobicContact CG2-CD1 4.23Å
117R98.7Very high96.9Very high13 Ų1329.5 Ų29.55%0.04916%0.158CC..EExtended strand (participates in β ladder)trans-115.7125.6173.8-176163.869.9165.67.2110.7V45 L47 Y72 V108 E109 W115 V119 D158V45-R117 HydrophobicContact CB-CB 4.06Å; V45-R117 HydrophobicContact CB-CG 3.95Å; V45-R117 HydrophobicContact CG1-CB 4.47Å; V45-R117 HydrophobicContact CG1-CG 3.85Å; V45-R117 CarbonylContact O-C 3.56Å; V45-R117 VanDerWaalsContact O-CA 3.27Å; V45-R117 WeakPolarHBondContact O-CA 3.34Å; L47-R117 HydrophobicContact CB-CG 4.41Å; Y72-R117 PolarHBondContact OH-NH1 3.32Å; V108-R117 WeakPolarHBondContact CA-O 3.41Å; E109-R117 HydrophobicContact CB-CB 4.29Å; E109-R117 VanDerWaalsContact CD-NH2 3.3Å; E109-R117 PolarHBondContact N-O 3.16Å; E109-R117 PolarHBondContact O-N 2.9Å; E109-R117 IonicContact OE1-NH2 2.71Å; E109-R117 PolarHBondContact OE1-NH2 3.19Å; E109-R117 IonicContact OE2-CZ 2.97Å; E109-R117 IonicContact OE2-NE 3.13Å; E109-R117 PolarHBondContact OE2-NE 3.47Å; E109-R117 IonicContact OE2-NH2 2.62Å; E109-R117 PolarHBondContact OE2-NH2 3.29Å; W115-R117 HydrophobicContact CH2-CB 3.61Å; W115-R117 HydrophobicContact CH2-CG 4.44Å; W115-R117 HydrophobicContact CZ2-CB 4.29Å; W115-R117 HydrophobicContact CZ3-CB 3.87Å; R117-V119 HydrophobicContact CG-CG2 4.37Å; R117-D158 IonicContact CZ-OD2 2.8Å; R117-D158 IonicContact NH1-OD2 3.59Å; R117-D158 PolarHBondContact NH1-OD2 3.1Å; R117-D158 VanDerWaalsContact NH1-OD2 3.13Å; R117-D158 IonicContact NH2-OD2 3.64Å; R117-D158 PolarHBondContact NH2-OD2 3.39Å
118F98.8Very high96.9Very high0 Ų036.2 Ų36.20%019%0.192CC..EExtended strand (participates in β ladder)trans-98.8117.6175.8-54.2-74.8000109.3Y44 V45 V46 L47 M78 I84 L105 V108 V116 F120 L257 I268Y44-F118 HydrophobicContact CD2-CE2 4.36Å; Y44-F118 HydrophobicContact CG-CE2 4.08Å; V45-F118 PolarHBondContact O-N 2.97Å; V46-F118 WeakPolarHBondContact CA-O 3.42Å; V46-F118 HydrophobicContact CG1-CD2 4.47Å; L47-F118 PolarHBondContact N-O 3.48Å; M78-F118 HydrophobicContact SD-CE2 4.39Å; I84-F118 HydrophobicContact CD1-CD1 4.46Å; I84-F118 HydrophobicContact CD1-CD2 4.09Å; I84-F118 HydrophobicContact CD1-CE1 4.15Å; I84-F118 HydrophobicContact CD1-CE2 3.73Å; I84-F118 HydrophobicContact CD1-CG 4.44Å; I84-F118 HydrophobicContact CD1-CZ 3.78Å; I84-F118 HydrophobicContact CG1-CD2 4.17Å; I84-F118 HydrophobicContact CG1-CE2 4.03Å; I84-F118 HydrophobicContact CG2-CB 4.33Å; I84-F118 HydrophobicContact CG2-CD2 4.16Å; I84-F118 HydrophobicContact CG2-CG 4.26Å; L105-F118 HydrophobicContact CD1-CB 4.05Å; L105-F118 HydrophobicContact CD1-CD1 4.46Å; V108-F118 HydrophobicContact CG1-CD1 4.49Å; V108-F118 HydrophobicContact CG1-CE1 4.45Å; V108-F118 HydrophobicContact CG2-CD1 4.01Å; V108-F118 HydrophobicContact CG2-CE1 4.42Å; V116-F118 HydrophobicContact CB-CZ 4.45Å; V116-F118 HydrophobicContact CG1-CD1 4.41Å; V116-F118 HydrophobicContact CG1-CE1 3.82Å; V116-F118 HydrophobicContact CG1-CE2 4.24Å; V116-F118 HydrophobicContact CG1-CZ 3.72Å; F118-F120 HydrophobicContact CB-CD2 4.29Å; F118-F120 HydrophobicContact CB-CE2 3.59Å; F118-F120 HydrophobicContact CB-CZ 4.31Å; F118-L257 HydrophobicContact CD1-CD2 4.23Å; F118-L257 HydrophobicContact CE1-CD1 4.49Å; F118-L257 HydrophobicContact CE1-CD2 4.38Å; F118-I268 HydrophobicContact CZ-CD1 4.06Å; F118-I268 HydrophobicContact CZ-CG2 4.24Å
119V98.8Very high97Very high0 Ų038.9 Ų38.90%021%0.206CC..EExtended strand (participates in β ladder)trans-104118.6-179.1179.80000109.2L47 V49 L106 S107 R117 L162L47-V119 HydrophobicContact CB-CG2 4.49Å; L47-V119 HydrophobicContact CD2-CB 4.49Å; L47-V119 HydrophobicContact CD2-CG1 3.79Å; L47-V119 HydrophobicContact CD2-CG2 4.29Å; L47-V119 WeakPolarHBondContact O-CA 3.34Å; V49-V119 HydrophobicContact CG2-CG1 3.77Å; L106-V119 HydrophobicContact CB-CG1 4.26Å; L106-V119 HydrophobicContact CD1-CG1 4.48Å; L106-V119 PolarHBondContact N-O 2.64Å; S107-V119 PolarHBondContact N-O 2.89Å; S107-V119 PolarHBondContact O-N 2.76Å; R117-V119 HydrophobicContact CG-CG2 4.37Å; V119-L162 HydrophobicContact CG1-CB 4.38Å; V119-L162 HydrophobicContact CG1-CD1 4.14Å; V119-L162 HydrophobicContact CG1-CD2 4.23Å; V119-L162 HydrophobicContact CG1-CG 4.48Å; V119-L162 HydrophobicContact CG2-CD1 3.92Å; V119-L162 HydrophobicContact CG2-CD2 4.14Å
120F98.9Very high97Very high0 Ų038.3 Ų38.30%020%0.203CC..EExtended strand (participates in β ladder)trans-109.2140.3-179-72-84.5000111.7L47 V49 I84 L88 P102 T104 L105 F118 L179 P180L47-F120 PolarHBondContact O-N 2.87Å; V49-F120 PolarHBondContact N-O 3.36Å; I84-F120 HydrophobicContact CG2-CE2 3.49Å; I84-F120 VanDerWaalsContact CG2-CE2 3.49Å; I84-F120 HydrophobicContact CG2-CZ 3.6Å; L88-F120 HydrophobicContact CD1-CB 4.21Å; L88-F120 HydrophobicContact CD1-CD2 4Å; L88-F120 HydrophobicContact CD1-CG 4.46Å; L88-F120 HydrophobicContact CD2-CB 3.68Å; L88-F120 HydrophobicContact CD2-CD1 4.49Å; L88-F120 HydrophobicContact CD2-CD2 3.86Å; L88-F120 HydrophobicContact CD2-CG 3.75Å; L88-F120 HydrophobicContact CG-CD2 4.44Å; P102-F120 HydrophobicContact CB-CB 4.46Å; P102-F120 HydrophobicContact CB-CD1 3.79Å; P102-F120 HydrophobicContact CB-CE1 4.41Å; P102-F120 HydrophobicContact CB-CG 4.31Å; T104-F120 WeakPolarHBondContact O-CA 3.48Å; L105-F120 HydrophobicContact CB-CD1 4.38Å; L105-F120 HydrophobicContact CB-CE1 4.07Å; L105-F120 HydrophobicContact CD1-CD1 4.19Å; L105-F120 HydrophobicContact CD1-CD2 4.36Å; L105-F120 HydrophobicContact CD1-CE1 3.75Å; L105-F120 HydrophobicContact CD1-CE2 3.96Å; L105-F120 HydrophobicContact CD1-CG 4.47Å; L105-F120 HydrophobicContact CD1-CZ 3.63Å; F118-F120 HydrophobicContact CB-CD2 4.29Å; F118-F120 HydrophobicContact CB-CE2 3.59Å; F118-F120 HydrophobicContact CB-CZ 4.31Å; F120-L179 HydrophobicContact CD1-CD2 4.41Å; F120-L179 HydrophobicContact CE1-CD2 4.26Å; F120-P180 HydrophobicContact CE1-CG 4.18Å; F120-P180 HydrophobicContact CZ-CG 3.75Å
121L98.8Very high97.2Very high0 Ų040.4 Ų40.40%022%0.217CC..EExtended strand (participates in β ladder)trans-78125.1154.8-17348.9000107.2V49 E103 T104 L106 A166 Y169 R170V49-L121 WeakPolarHBondContact O-CA 3.45Å; V49-L121 WeakPolarHBondContact O-CD1 3.43Å; E103-L121 HydrophobicContact CB-CG 4.47Å; E103-L121 PolarHBondContact N-O 2.7Å; T104-L121 HydrophobicContact CG2-CB 4.11Å; T104-L121 PolarHBondContact N-O 3.15Å; T104-L121 PolarHBondContact O-N 3.43Å; L106-L121 HydrophobicContact CD1-CB 3.77Å; L106-L121 HydrophobicContact CD2-CB 4.04Å; L106-L121 HydrophobicContact CD2-CD2 4.31Å; L106-L121 HydrophobicContact CG-CB 3.76Å; L121-A166 HydrophobicContact CD1-CB 3.91Å; L121-Y169 HydrophobicContact CD2-CD1 3.58Å; L121-Y169 HydrophobicContact CD2-CE1 4.29Å; L121-Y169 HydrophobicContact CD2-CG 4.24Å; L121-R170 VanDerWaalsContact CD2-CZ 3.42Å
122A98.8Very high97.4Very high1 Ų136.7 Ų36.71%0.00822%0.215CC..EExtended strand (participates in β ladder)trans-125.8157-179.100000111.3A48 V49 F50 E101A48-A122 HydrophobicContact CB-CB 4.47Å; V49-A122 PolarHBondContact O-N 3.38Å; F50-A122 HydrophobicContact CD1-CB 4.14Å; F50-A122 VanDerWaalsContact CD1-O 3.22Å; F50-A122 WeakPolarHBondContact CD1-O 3.32Å; F50-A122 HydrophobicContact CE1-CB 3.61Å; F50-A122 HydrophobicContact CE2-CB 4.13Å; F50-A122 HydrophobicContact CZ-CB 3.59Å; E101-A122 WeakPolarHBondContact O-CA 3.24Å
123R98.4Very high97.7Very high119 Ų11945.7 Ų45.745%0.44925%0.254SS..EExtended strand (participates in β ladder)trans-121.1143.4171.755.8-176.3-172.887.26.5111.2C100 E101 E103C100-R123 WeakPolarHBondContact CA-O 3.21Å; C100-R123 WeakPolarHBondContact CB-O 3.47Å; E101-R123 HydrophobicContact CB-CG 4.46Å; E101-R123 PolarHBondContact N-O 3.11Å; E101-R123 PolarHBondContact O-N 3.5Å; E103-R123 HydrophobicContact CG-CB 4.38Å; E103-R123 HydrophobicContact CG-CG 3.99Å; E103-R123 WeakPolarHBondContact OE1-CB 3.47Å
124P98.4Very high98.2Very high65 Ų6550 Ų5042%0.42227%0.274SS..EExtended strand (participates in β ladder)trans-69.2143.1173.330.8-33.9000110L98 H99L98-P124 HydrophobicContact CD1-CB 4.44Å; H99-P124 WeakPolarHBondContact O-CA 3.27Å
125T98.7Very high98.4Very high67 Ų6751 Ų5141%0.41128%0.284SS..EExtended strand (participates in β ladder)trans-127.9-0.3178.254.60000113.3H99 C100 E101H99-T125 PolarHBondContact O-N 3.49Å; H99-T125 PolarHBondContact O-OG1 2.9Å; C100-T125 PolarHBondContact N-OG1 2.91Å; E101-T125 HydrophobicContact CB-CG2 4.06Å; E101-T125 HydrophobicContact CG-CG2 3.68Å
126G98.4Very high98.5Very high34 Ų3452 Ų5235%0.35129%0.294SS..EExtended strand (participates in β ladder)trans155.5-156.7178.900000111.3H99H99-G126 PolarHBondContact N-O 2.8Å
127G98.3Very high98.4Very high43 Ų4355.8 Ų55.844%0.44333%0.325SS..EExtended strand (participates in β ladder)trans81.4-170.2-174.500000112.5
128I98.6Very high98.4Very high141 Ų14158.8 Ų58.872%0.72334%0.34SS*.  trans-132.3125.2-178.4-60174.9000107G97 K130G97-I128 CarbonylContact C-O 3.59Å; G97-I128 VanDerWaalsContact CA-O 3.28Å; G97-I128 WeakPolarHBondContact CA-O 3.44Å; G97-I128 PolarHBondContact O-N 2.96Å; I128-K130 PolarHBondContact O-N 2.9Å; I128-K130 VanDerWaalsContact O-N 3.17Å
129L98.8Very high98.4Very high55 Ų5558.8 Ų58.829%0.28834%0.34SS..  trans-57.1123178.8-175.769.7000110.1L58 L98 T131 A142L58-L129 HydrophobicContact CD1-CD1 3.68Å; L98-L129 HydrophobicContact CD1-CD1 4.3Å; L98-L129 HydrophobicContact CD2-CB 4.28Å; L98-L129 HydrophobicContact CG-CD1 4.43Å; L129-T131 PolarHBondContact O-N 2.82Å; L129-A142 HydrophobicContact CD1-CB 3.74Å
130K98.7Very high98.4Very high13 Ų1360.3 Ų60.36%0.05735%0.347CS..  trans-69.3117.1179.8-169.1-178.2-178.5-173.90110.1E94 A96 I128 E134 D136 S139 A142E94-K130 PolarHBondContact O-NZ 3.41Å; A96-K130 PolarHBondContact O-N 2.83Å; I128-K130 PolarHBondContact O-N 2.9Å; I128-K130 VanDerWaalsContact O-N 3.17Å; K130-E134 WeakPolarHBondContact CE-O 3.49Å; K130-E134 HydrophobicContact CG-CB 3.77Å; K130-D136 IonicContact NZ-OD1 3.93Å; K130-D136 PolarHBondContact NZ-OD1 2.86Å; K130-D136 IonicContact NZ-OD2 3.52Å; K130-D136 PolarHBondContact NZ-OD2 3.01Å; K130-D136 VanDerWaalsContact NZ-OD2 3.12Å; K130-S139 WeakPolarHBondContact CD-OG 3.45Å; K130-S139 PolarHBondContact NZ-O 3.21Å; K130-S139 PolarHBondContact NZ-OG 2.97Å; K130-A142 PolarHBondContact O-N 3.5Å
131T98.6Very high98.4Very high56 Ų5662.8 Ų62.834%0.34436%0.359SS..  trans-98.5-179.5178.380.70000110.5L129 K133 E134L129-T131 PolarHBondContact O-N 2.82Å; T131-K133 PolarHBondContact O-N 3.27Å; T131-K133 PolarHBondContact OG1-N 3.04Å; T131-E134 VanDerWaalsContact C-OE2 3.27Å; T131-E134 VanDerWaalsContact CA-OE2 3.24Å; T131-E134 WeakPolarHBondContact CA-OE2 3.32Å; T131-E134 VanDerWaalsContact CB-OE2 3.3Å; T131-E134 WeakPolarHBondContact CB-OE2 3.35Å; T131-E134 PolarHBondContact N-OE2 3.38Å; T131-E134 PolarHBondContact O-N 3.33Å; T131-E134 VanDerWaalsContact O-N 3.1Å; T131-E134 VanDerWaalsContact O-OE2 3.04Å; T131-E134 PolarHBondContact OG1-OE2 3.21Å
132S97.8Very high98.4Very high78 Ų7863 Ų6355%0.54536%0.361SS..G310 helixtrans-65.2-14175.858.10000114.5E134 A135 L140S132-E134 VanDerWaalsContact C-N 3.27Å; S132-A135 WeakPolarHBondContact O-CB 3.34Å; S132-A135 PolarHBondContact O-N 3.1Å; S132-L140 WeakPolarHBondContact CA-O 3.26Å
133K97.9Very high98.4Very high188 Ų18863.9 Ų63.982%0.81737%0.368SS*.G310 helixtrans-70.3-27.6172.9-68-179.8-180176.20112.3T131T131-K133 PolarHBondContact O-N 3.27Å; T131-K133 PolarHBondContact OG1-N 3.04Å
134E98.1Very high98.4Very high91 Ų9161.5 Ų61.543%0.42536%0.359SS..G310 helixtrans-10118.4-179.4-5878-165.100111.6K130 T131 S132 D136K130-E134 WeakPolarHBondContact CE-O 3.49Å; K130-E134 HydrophobicContact CG-CB 3.77Å; T131-E134 VanDerWaalsContact C-OE2 3.27Å; T131-E134 VanDerWaalsContact CA-OE2 3.24Å; T131-E134 WeakPolarHBondContact CA-OE2 3.32Å; T131-E134 VanDerWaalsContact CB-OE2 3.3Å; T131-E134 WeakPolarHBondContact CB-OE2 3.35Å; T131-E134 PolarHBondContact N-OE2 3.38Å; T131-E134 PolarHBondContact O-N 3.33Å; T131-E134 VanDerWaalsContact O-N 3.1Å; T131-E134 VanDerWaalsContact O-OE2 3.04Å; T131-E134 PolarHBondContact OG1-OE2 3.21Å; S132-E134 VanDerWaalsContact C-N 3.27Å; E134-D136 PolarHBondContact O-N 3.39Å
135A98.1Very high98.4Very high51 Ų5161.4 Ų61.442%0.42135%0.351SS..  trans-58.4128.8179.800000111.8S132 L140S132-A135 WeakPolarHBondContact O-CB 3.34Å; S132-A135 PolarHBondContact O-N 3.1Å; A135-L140 HydrophobicContact CB-CD2 4.44Å; A135-L140 VanDerWaalsContact CB-O 3.28Å; A135-L140 WeakPolarHBondContact CB-O 3.34Å
136D98.3Very high98.4Very high78 Ų7860.8 Ų60.842%0.41735%0.348SS..  trans-144.8-158.1-179.861.925.7000111.3A63 K130 E134 E138 S139A63-D136 WeakPolarHBondContact CB-O 3.44Å; K130-D136 IonicContact NZ-OD1 3.93Å; K130-D136 PolarHBondContact NZ-OD1 2.86Å; K130-D136 IonicContact NZ-OD2 3.52Å; K130-D136 PolarHBondContact NZ-OD2 3.01Å; K130-D136 VanDerWaalsContact NZ-OD2 3.12Å; E134-D136 PolarHBondContact O-N 3.39Å; D136-E138 WeakPolarHBondContact OD1-CA 3.41Å; D136-E138 WeakPolarHBondContact OD1-CB 3.36Å; D136-E138 PolarHBondContact OD1-N 2.98Å; D136-S139 PolarHBondContact N-O 3.44Å; D136-S139 PolarHBondContact OD1-N 3.39Å
137A97.4Very high98.4Very high79 Ų7962.9 Ų62.965%0.65335%0.345SS*.SBendtrans-76-21.3-179.900000113.7A63A63-A137 WeakPolarHBondContact CB-O 3.3Å
138E97.6Very high98.4Very high76 Ų7666.2 Ų66.236%0.35536%0.361SS..SBendtrans-78-49.8179.3-55.9-55.515700109.9E94 D136E94-E138 HydrophobicContact CB-CB 4.44Å; E94-E138 HydrophobicContact CB-CG 4.18Å; D136-E138 WeakPolarHBondContact OD1-CA 3.41Å; D136-E138 WeakPolarHBondContact OD1-CB 3.36Å; D136-E138 PolarHBondContact OD1-N 2.98Å
139S98.5Very high98.4Very high0 Ų063.2 Ų63.20%035%0.353CS..EExtended strand (participates in β ladder)trans-159.2155.417867.40000111.5E95 K130 D136E95-S139 WeakPolarHBondContact CA-OG 3.33Å; E95-S139 WeakPolarHBondContact O-CB 3.47Å; E95-S139 PolarHBondContact O-OG 2.92Å; K130-S139 WeakPolarHBondContact CD-OG 3.45Å; K130-S139 PolarHBondContact NZ-O 3.21Å; K130-S139 PolarHBondContact NZ-OG 2.97Å; D136-S139 PolarHBondContact N-O 3.44Å; D136-S139 PolarHBondContact OD1-N 3.39Å
140L98.8Very high98.3Very high31 Ų3162.1 Ų62.116%0.16235%0.347CS..EExtended strand (participates in β ladder)trans-79.5-33.3176.3-59.1-179.4000112.1Q61 A63 R68 S132 A135Q61-L140 HydrophobicContact CB-CB 4.25Å; Q61-L140 HydrophobicContact CG-CB 4.42Å; Q61-L140 HydrophobicContact CG-CD1 4.27Å; Q61-L140 PolarHBondContact O-N 3.01Å; A63-L140 HydrophobicContact CB-CD2 3.94Å; A63-L140 HydrophobicContact CB-CG 4.15Å; R68-L140 HydrophobicContact CG-CD1 4.37Å; S132-L140 WeakPolarHBondContact CA-O 3.26Å; A135-L140 HydrophobicContact CB-CD2 4.44Å; A135-L140 VanDerWaalsContact CB-O 3.28Å; A135-L140 WeakPolarHBondContact CB-O 3.34Å
141Q98.8Very high98.3Very high53 Ų5362.1 Ų62.125%0.24835%0.349CS..EExtended strand (participates in β ladder)trans-175.3168.4177.655.2-175.9-29.100109.8I60 Q61 W71I60-Q141 CarbonylContact C-O 3.51Å; I60-Q141 WeakPolarHBondContact CA-O 3.39Å; Q61-Q141 HydrophobicContact CB-CG 3.87Å; Q61-Q141 PolarHBondContact N-O 2.88Å; W71-Q141 HydrophobicContact CH2-CG 3.81Å; W71-Q141 HydrophobicContact CZ2-CG 4.34Å
142A98.9Very high98.3Very high4 Ų465.3 Ų65.33%0.03337%0.368CS..EExtended strand (participates in β ladder)trans-125.2146.3166.200000110.7L58 L59 I60 A96 L129 K130L58-A142 HydrophobicContact CD1-CB 4.23Å; L59-A142 CarbonylContact O-C 3.56Å; L59-A142 VanDerWaalsContact O-CA 3.25Å; L59-A142 WeakPolarHBondContact O-CA 3.41Å; I60-A142 HydrophobicContact CG2-CB 3.94Å; A96-A142 HydrophobicContact CB-CB 3.64Å; L129-A142 HydrophobicContact CD1-CB 3.74Å; K130-A142 PolarHBondContact O-N 3.5Å
143A98.8Very high98.3Very high20 Ų2065.6 Ų65.617%0.16537%0.368CS..EExtended strand (participates in β ladder)trans-152.7150.9179.900000111.7L59 W71 Y145L59-A143 PolarHBondContact N-O 2.87Å; L59-A143 PolarHBondContact O-N 2.82Å; W71-A143 HydrophobicContact CH2-CB 3.91Å; W71-A143 HydrophobicContact CZ3-CB 4.04Å; A143-Y145 HydrophobicContact CB-CD2 4.21Å; A143-Y145 HydrophobicContact CB-CE2 3.61Å
144W98.8Very high98.3Very high69 Ų6957.9 Ų57.926%0.26134%0.336SS..EExtended strand (participates in β ladder)trans-86.3133.3170.5-67.591.3000109.4F50 E56 V57 L58F50-W144 HydrophobicContact CB-CH2 3.62Å; F50-W144 HydrophobicContact CB-CZ3 3.85Å; F50-W144 HydrophobicContact CD1-CH2 4.4Å; F50-W144 HydrophobicContact CG-CH2 4.29Å; E56-W144 HydrophobicContact CB-CB 4.22Å; E56-W144 HydrophobicContact CB-CE3 3.95Å; E56-W144 WeakPolarHBondContact O-CZ3 3.45Å; V57-W144 WeakPolarHBondContact O-CA 3.41Å; L58-W144 HydrophobicContact CB-CD2 4.18Å; L58-W144 HydrophobicContact CB-CE3 4.1Å; L58-W144 HydrophobicContact CB-CH2 4.05Å; L58-W144 HydrophobicContact CB-CZ2 4.1Å; L58-W144 HydrophobicContact CB-CZ3 4.04Å; L58-W144 HydrophobicContact CD1-CD2 4.33Å; L58-W144 HydrophobicContact CD1-CG 4.48Å; L58-W144 HydrophobicContact CD1-CZ2 4.45Å
145Y98.8Very high98.3Very high63 Ų6359 Ų5925%0.24734%0.336CS..EExtended strand (participates in β ladder)trans-129.4142.2175.4-73.7-89.4000110.3E56 V57 L59 W71 A143 R147 P151E56-Y145 CarbonylContact C-O 3.27Å; E56-Y145 VanDerWaalsContact CA-O 3.24Å; E56-Y145 WeakPolarHBondContact CA-O 3.41Å; V57-Y145 PolarHBondContact N-O 3.49Å; V57-Y145 PolarHBondContact O-N 2.75Å; L59-Y145 HydrophobicContact CD1-CD2 4.08Å; W71-Y145 HydrophobicContact CD2-CE2 4.37Å; W71-Y145 HydrophobicContact CE3-CE2 4.02Å; W71-Y145 AromaticContact CH2-CE2 3.76Å; W71-Y145 HydrophobicContact CH2-CE2 3.76Å; W71-Y145 WeakPolarHBondContact CH2-OH 3.39Å; W71-Y145 HydrophobicContact CZ2-CE2 4.13Å; W71-Y145 VanDerWaalsContact CZ2-OH 3.23Å; W71-Y145 WeakPolarHBondContact CZ2-OH 3.47Å; W71-Y145 AromaticContact CZ3-CE2 3.71Å; W71-Y145 HydrophobicContact CZ3-CE2 3.71Å; A143-Y145 HydrophobicContact CB-CD2 4.21Å; A143-Y145 HydrophobicContact CB-CE2 3.61Å; Y145-R147 PolarHBondContact O-N 3.33Å; Y145-P151 HydrophobicContact CD1-CB 4.21Å; Y145-P151 HydrophobicContact CD1-CG 4.31Å; Y145-P151 HydrophobicContact CD2-CB 4.4Å; Y145-P151 HydrophobicContact CD2-CG 3.78Å; Y145-P151 HydrophobicContact CE1-CB 3.8Å; Y145-P151 HydrophobicContact CE1-CG 4.24Å; Y145-P151 HydrophobicContact CE2-CB 3.98Å; Y145-P151 HydrophobicContact CE2-CG 3.66Å; Y145-P151 HydrophobicContact CG-CB 4.49Å; Y145-P151 HydrophobicContact CG-CG 4.09Å
146P98.7Very high98.3Very high54 Ų5458.2 Ų58.235%0.35133%0.33SS..EExtended strand (participates in β ladder)trans-53.7133.6170.4-24.133.5000110.6S148 S149 L150P146-S148 PolarHBondContact O-N 2.89Å; P146-S148 VanDerWaalsContact O-N 3.11Å; P146-S149 CarbonylContact O-C 3.58Å; P146-S149 VanDerWaalsContact O-C 3.25Å; P146-S149 PolarHBondContact O-N 3Å; P146-L150 PolarHBondContact O-N 2.98Å
147R98.3Very high98.3Very high78 Ų7860.9 Ų60.929%0.29434%0.34SS..G310 helixtrans-54.4-34179.3177.7171.462.182.317.4112.4D55 V57 Y145 S149 V163 E164D55-R147 WeakPolarHBondContact O-CB 3.38Å; D55-R147 PolarHBondContact O-N 3.28Å; D55-R147 IonicContact OD1-CZ 2.7Å; D55-R147 IonicContact OD1-NE 2.75Å; D55-R147 PolarHBondContact OD1-NE 3.33Å; D55-R147 IonicContact OD1-NH2 3.52Å; D55-R147 PolarHBondContact OD1-NH2 3.36Å; D55-R147 IonicContact OD2-CZ 3.36Å; D55-R147 IonicContact OD2-NE 2.86Å; D55-R147 PolarHBondContact OD2-NE 3.35Å; D55-R147 IonicContact OD2-NH2 3.43Å; D55-R147 PolarHBondContact OD2-NH2 2.69Å; V57-R147 HydrophobicContact CG2-CB 4.01Å; V57-R147 HydrophobicContact CG2-CG 4.38Å; Y145-R147 PolarHBondContact O-N 3.33Å; R147-S149 VanDerWaalsContact C-N 3.29Å; R147-S149 PolarHBondContact O-N 3.39Å; R147-V163 HydrophobicContact CB-CG1 4.48Å; R147-V163 VanDerWaalsContact CD-CG1 3.44Å; R147-V163 HydrophobicContact CG-CG1 3.52Å; R147-E164 IonicContact NH1-OE2 3.94Å; R147-E164 PolarHBondContact NH1-OE2 3.09Å
148S97.8Very high98.3Very high112 Ų11259.4 Ų59.478%0.78332%0.321SS*.G310 helixtrans-79-5.2177.662.40000114.6P146P146-S148 PolarHBondContact O-N 2.89Å; P146-S148 VanDerWaalsContact O-N 3.11Å
149S98.3Very high98.3Very high78 Ų7855.8 Ų55.855%0.54530%0.304SS..G310 helixtrans-146.256.5-175.1-174.90000111.3P146 R147P146-S149 CarbonylContact O-C 3.58Å; P146-S149 VanDerWaalsContact O-C 3.25Å; P146-S149 PolarHBondContact O-N 3Å; R147-S149 VanDerWaalsContact C-N 3.29Å; R147-S149 PolarHBondContact O-N 3.39Å
150L98.4Very high98.3Very high32 Ų3259.7 Ų59.717%0.16832%0.324CS..  trans-62.5150.7176.7-61.2-176.3000111.9V57 L59 P146 L160V57-L150 HydrophobicContact CB-CD2 4.24Å; V57-L150 HydrophobicContact CG2-CD2 4.31Å; L59-L150 HydrophobicContact CD1-CD2 4.07Å; P146-L150 PolarHBondContact O-N 2.98Å; L150-L160 HydrophobicContact CD1-CD2 3.53Å
151P98.3Very high98.2Very high14 Ų1462.8 Ų62.89%0.09134%0.337CS..  trans-69.3164.6-179.431.6-36.3000111.8L59 W71 Y145 L154L59-P151 HydrophobicContact CD1-CG 3.51Å; W71-P151 HydrophobicContact CB-CB 4.45Å; W71-P151 HydrophobicContact CB-CG 3.68Å; W71-P151 HydrophobicContact CD2-CB 4.08Å; W71-P151 HydrophobicContact CD2-CG 3.67Å; W71-P151 HydrophobicContact CE3-CG 4.17Å; W71-P151 HydrophobicContact CG-CB 3.85Å; W71-P151 HydrophobicContact CG-CG 3.45Å; W71-P151 VanDerWaalsContact CG-CG 3.45Å; Y145-P151 HydrophobicContact CD1-CB 4.21Å; Y145-P151 HydrophobicContact CD1-CG 4.31Å; Y145-P151 HydrophobicContact CD2-CB 4.4Å; Y145-P151 HydrophobicContact CD2-CG 3.78Å; Y145-P151 HydrophobicContact CE1-CB 3.8Å; Y145-P151 HydrophobicContact CE1-CG 4.24Å; Y145-P151 HydrophobicContact CE2-CB 3.98Å; Y145-P151 HydrophobicContact CE2-CG 3.66Å; Y145-P151 HydrophobicContact CG-CB 4.49Å; Y145-P151 HydrophobicContact CG-CG 4.09Å; P151-L154 VanDerWaalsContact O-CD2 3.25Å; P151-L154 WeakPolarHBondContact O-CD2 3.47Å
152T97.1Very high98.2Very high122 Ų12260.3 Ų60.375%0.74833%0.326SS*.SBendtrans-131.4148.1175.959.40000111
153P98.3Very high98.2Very high84 Ų8460.3 Ų60.355%0.54533%0.326SS..SBendcis-78.8147.5-4.632.5-33.1000112.5S70 W71S70-P153 CarbonylContact C-O 3.57Å; S70-P153 VanDerWaalsContact CA-O 3.24Å; S70-P153 WeakPolarHBondContact CA-O 3.22Å; S70-P153 WeakPolarHBondContact CB-O 3.46Å; W71-P153 PolarHBondContact N-O 2.75Å
154L98.7Very high98.1Very high27 Ų2762.7 Ų62.714%0.14133%0.333CS..BIsolated β-bridgetrans-80.8142.2168.3-62.6-177.8000110.4W71 P151 A156 I159 L160W71-L154 HydrophobicContact CB-CD2 4.15Å; W71-L154 CarbonylContact O-C 3.52Å; W71-L154 WeakPolarHBondContact O-CA 3.45Å; P151-L154 VanDerWaalsContact O-CD2 3.25Å; P151-L154 WeakPolarHBondContact O-CD2 3.47Å; L154-A156 VanDerWaalsContact C-N 3.34Å; L154-I159 HydrophobicContact CD1-CD1 4.34Å; L154-I159 HydrophobicContact CD2-CD1 4.16Å; L154-L160 HydrophobicContact CD1-CD2 3.97Å; L154-L160 HydrophobicContact CD1-CG 4.46Å
155R98.4Very high98Very high114 Ų11460.5 Ų60.543%0.4333%0.326SS..SBendtrans-60.6-44.4175.1174.2176.8172-165-3.6111.6E62 C67 S70 W71 Y72E62-R155 WeakPolarHBondContact OE1-CD 3.27Å; E62-R155 IonicContact OE1-CZ 3.8Å; E62-R155 IonicContact OE1-NE 2.67Å; E62-R155 IonicContact OE1-NH1 3.12Å; E62-R155 PolarHBondContact OE1-NH1 2.94Å; C67-R155 HydrophobicContact CB-CG 4.1Å; S70-R155 WeakPolarHBondContact OG-CB 3.45Å; W71-R155 PolarHBondContact O-N 3.38Å; Y72-R155 HydrophobicContact CD2-CB 3.68Å; Y72-R155 HydrophobicContact CD2-CG 4.29Å; Y72-R155 HydrophobicContact CE2-CB 4.41Å; Y72-R155 HydrophobicContact CG-CB 4.03Å
156A97.7Very high97.9Very high35 Ų3557.5 Ų57.529%0.28932%0.315SS..  trans-151153.3172.600000109.6Y72 L154 D158Y72-A156 HydrophobicContact CE2-CB 3.84Å; L154-A156 VanDerWaalsContact C-N 3.34Å; A156-D158 VanDerWaalsContact CB-OD1 3.22Å; A156-D158 WeakPolarHBondContact CB-OD1 3.49Å
157H97.9Very high97.8Very high134 Ų13455.6 Ų55.662%0.6230%0.304SS*.SBendtrans-90.2-2-175.1-69.773.4000113.1I159 L160H157-I159 PolarHBondContact O-N 3.28Å; H157-L160 HydrophobicContact CB-CD1 4.26Å; H157-L160 WeakPolarHBondContact O-CB 3.43Å; H157-L160 WeakPolarHBondContact O-CG 3.44Å; H157-L160 PolarHBondContact O-N 3.25Å
158D97.1Very high97.7Very high48 Ų4853.8 Ų53.826%0.25730%0.299SS..THydrogen-bonded Turntrans-61.1-31.7177.361-28000112.3Y72 R117 A156 L160 H161Y72-D158 WeakPolarHBondContact CE2-OD1 3.26Å; Y72-D158 PolarHBondContact OH-OD1 3.32Å; Y72-D158 PolarHBondContact OH-OD2 2.83Å; R117-D158 IonicContact CZ-OD2 2.8Å; R117-D158 IonicContact NH1-OD2 3.59Å; R117-D158 PolarHBondContact NH1-OD2 3.1Å; R117-D158 VanDerWaalsContact NH1-OD2 3.13Å; R117-D158 IonicContact NH2-OD2 3.64Å; R117-D158 PolarHBondContact NH2-OD2 3.39Å; A156-D158 VanDerWaalsContact CB-OD1 3.22Å; A156-D158 WeakPolarHBondContact CB-OD1 3.49Å; D158-L160 PolarHBondContact O-N 3.24Å; D158-L160 VanDerWaalsContact O-N 3.15Å; D158-H161 PolarHBondContact O-N 2.76Å
159I98.2Very high97.5Very high0 Ų049.3 Ų49.30%027%0.265CS..Hα-helixtrans-61.8-22.3177.365174.3000113.9L59 Y72 L73 L154 H157 H161 L162 V163L59-I159 HydrophobicContact CD2-CD1 4.07Å; Y72-I159 HydrophobicContact CD2-CD1 4.05Å; Y72-I159 HydrophobicContact CD2-CG2 3.7Å; Y72-I159 HydrophobicContact CE1-CG2 4.11Å; Y72-I159 HydrophobicContact CE2-CB 4.38Å; Y72-I159 HydrophobicContact CE2-CD1 4.41Å; Y72-I159 HydrophobicContact CE2-CG1 4.46Å; Y72-I159 HydrophobicContact CE2-CG2 3.17Å; Y72-I159 HydrophobicContact CG-CG2 4.38Å; L73-I159 HydrophobicContact CB-CG2 4.36Å; L73-I159 HydrophobicContact CD1-CB 3.72Å; L73-I159 HydrophobicContact CD1-CG2 3.69Å; L73-I159 HydrophobicContact CG-CB 4.05Å; L73-I159 HydrophobicContact CG-CD1 4.43Å; L73-I159 HydrophobicContact CG-CG2 3.93Å; L154-I159 HydrophobicContact CD1-CD1 4.34Å; L154-I159 HydrophobicContact CD2-CD1 4.16Å; H157-I159 PolarHBondContact O-N 3.28Å; I159-H161 VanDerWaalsContact C-N 3.28Å; I159-H161 PolarHBondContact O-N 2.98Å; I159-L162 PolarHBondContact O-N 3.26Å; I159-V163 WeakPolarHBondContact O-CB 3.21Å; I159-V163 VanDerWaalsContact O-CG2 3.3Å; I159-V163 WeakPolarHBondContact O-CG2 3.12Å; I159-V163 PolarHBondContact O-N 3.25Å
160L98.4Very high97.3Very high81 Ų8150.2 Ų50.242%0.42426%0.256SS..Hα-helixtrans-61.1-41.7177.5-61.1-178.6000110.8L150 L154 H157 D158 E164L150-L160 HydrophobicContact CD1-CD2 3.53Å; L154-L160 HydrophobicContact CD1-CD2 3.97Å; L154-L160 HydrophobicContact CD1-CG 4.46Å; H157-L160 HydrophobicContact CB-CD1 4.26Å; H157-L160 WeakPolarHBondContact O-CB 3.43Å; H157-L160 WeakPolarHBondContact O-CG 3.44Å; H157-L160 PolarHBondContact O-N 3.25Å; D158-L160 PolarHBondContact O-N 3.24Å; D158-L160 VanDerWaalsContact O-N 3.15Å; L160-E164 WeakPolarHBondContact O-CB 3.44Å; L160-E164 PolarHBondContact O-N 3.34Å; L160-E164 VanDerWaalsContact O-N 3.14Å
161H97.5Very high97.1Very high96 Ų9656.9 Ų56.944%0.44429%0.287SS..Hα-helixtrans-67.9-40.5175.717856.5000111.6D158 I159 E164 L165D158-H161 PolarHBondContact O-N 2.76Å; I159-H161 VanDerWaalsContact C-N 3.28Å; I159-H161 PolarHBondContact O-N 2.98Å; H161-E164 WeakPolarHBondContact O-CB 3.39Å; H161-E164 PolarHBondContact O-N 3.43Å; H161-L165 WeakPolarHBondContact O-CG 3.34Å; H161-L165 PolarHBondContact O-N 3.07Å
162L98.1Very high96.6Very high1 Ų163.1 Ų63.11%0.00531%0.314CS..Hα-helixtrans-66.1-39.2-179.1-56.2-176.7000112.5L47 V49 L73 V119 I159 E164 L165 A166L47-L162 HydrophobicContact CD1-CD1 4.03Å; L47-L162 HydrophobicContact CD2-CD1 3.83Å; V49-L162 HydrophobicContact CG2-CB 4.13Å; L73-L162 HydrophobicContact CD1-CB 4.47Å; V119-L162 HydrophobicContact CG1-CB 4.38Å; V119-L162 HydrophobicContact CG1-CD1 4.14Å; V119-L162 HydrophobicContact CG1-CD2 4.23Å; V119-L162 HydrophobicContact CG1-CG 4.48Å; V119-L162 HydrophobicContact CG2-CD1 3.92Å; V119-L162 HydrophobicContact CG2-CD2 4.14Å; I159-L162 PolarHBondContact O-N 3.26Å; L162-E164 VanDerWaalsContact C-N 3.34Å; L162-L165 HydrophobicContact CD2-CD1 4.24Å; L162-L165 WeakPolarHBondContact O-CB 3.48Å; L162-L165 PolarHBondContact O-N 2.91Å; L162-A166 PolarHBondContact O-N 3.5Å; L162-A166 VanDerWaalsContact O-N 3.09Å
163V98.4Very high96.1Very high4 Ų460.4 Ų60.42%0.02431%0.305CS..Hα-helixtrans-65.1-39.5173.3169.20000111V49 V57 L73 R147 I159 A166 A167V49-V163 HydrophobicContact CG1-CG2 4.34Å; V57-V163 HydrophobicContact CG1-CG2 3.91Å; V57-V163 HydrophobicContact CG2-CG1 3.64Å; V57-V163 HydrophobicContact CG2-CG2 4.21Å; L73-V163 HydrophobicContact CD1-CG2 4.37Å; L73-V163 HydrophobicContact CD2-CG2 4.39Å; R147-V163 HydrophobicContact CB-CG1 4.48Å; R147-V163 VanDerWaalsContact CD-CG1 3.44Å; R147-V163 HydrophobicContact CG-CG1 3.52Å; I159-V163 WeakPolarHBondContact O-CB 3.21Å; I159-V163 VanDerWaalsContact O-CG2 3.3Å; I159-V163 WeakPolarHBondContact O-CG2 3.12Å; I159-V163 PolarHBondContact O-N 3.25Å; V163-A166 WeakPolarHBondContact O-CB 3.42Å; V163-A166 PolarHBondContact O-N 2.87Å; V163-A167 PolarHBondContact O-N 2.77Å
164E97.1Very high95.3Very high70 Ų7061.3 Ų61.333%0.32730%0.297SS..Hα-helixtrans-66.7-37.3174.8-17955.9-153.300112.2R147 L160 H161 L162 A166 A167 Q168R147-E164 IonicContact NH1-OE2 3.94Å; R147-E164 PolarHBondContact NH1-OE2 3.09Å; L160-E164 WeakPolarHBondContact O-CB 3.44Å; L160-E164 PolarHBondContact O-N 3.34Å; L160-E164 VanDerWaalsContact O-N 3.14Å; H161-E164 WeakPolarHBondContact O-CB 3.39Å; H161-E164 PolarHBondContact O-N 3.43Å; L162-E164 VanDerWaalsContact C-N 3.34Å; E164-A166 VanDerWaalsContact C-N 3.3Å; E164-A166 PolarHBondContact O-N 2.92Å; E164-A167 PolarHBondContact O-N 2.77Å; E164-Q168 HydrophobicContact CG-CG 4.48Å; E164-Q168 WeakPolarHBondContact O-CB 3.35Å; E164-Q168 WeakPolarHBondContact O-CG 3.43Å; E164-Q168 PolarHBondContact O-N 2.79Å; E164-Q168 WeakPolarHBondContact OE1-CG 3.28Å; E164-Q168 PolarHBondContact OE1-NE2 2.94Å
165L95.9Very high94.9Very high23 Ų2360.7 Ų60.712%0.1229%0.293CS..Hα-helixtrans-59.3-41.7171.1-72176.6000111.6H161 L162 Q168 Y169H161-L165 WeakPolarHBondContact O-CG 3.34Å; H161-L165 PolarHBondContact O-N 3.07Å; L162-L165 HydrophobicContact CD2-CD1 4.24Å; L162-L165 WeakPolarHBondContact O-CB 3.48Å; L162-L165 PolarHBondContact O-N 2.91Å; L165-Q168 PolarHBondContact O-N 3.41Å; L165-Y169 WeakPolarHBondContact O-CB 3.36Å; L165-Y169 PolarHBondContact O-N 2.86Å
166A97.6Very high94.6Very high0 Ų058.1 Ų58.10%029%0.292CS..Hα-helixtrans-63.6-44.817500000112.1V49 L51 L106 L121 L162 V163 E164 Q168 Y169 R170V49-A166 HydrophobicContact CB-CB 4.33Å; V49-A166 HydrophobicContact CG1-CB 3.51Å; L51-A166 HydrophobicContact CB-CB 4.33Å; L51-A166 HydrophobicContact CD2-CB 4.22Å; L106-A166 HydrophobicContact CD1-CB 3.85Å; L121-A166 HydrophobicContact CD1-CB 3.91Å; L162-A166 PolarHBondContact O-N 3.5Å; L162-A166 VanDerWaalsContact O-N 3.09Å; V163-A166 WeakPolarHBondContact O-CB 3.42Å; V163-A166 PolarHBondContact O-N 2.87Å; E164-A166 VanDerWaalsContact C-N 3.3Å; E164-A166 PolarHBondContact O-N 2.92Å; A166-Q168 VanDerWaalsContact C-N 3.33Å; A166-Q168 PolarHBondContact O-N 2.99Å; A166-Y169 PolarHBondContact O-N 3.06Å; A166-R170 VanDerWaalsContact O-CG 3.27Å; A166-R170 WeakPolarHBondContact O-CG 3.27Å; A166-R170 PolarHBondContact O-N 3.31Å
167A96.9Very high94.4Very high15 Ų1562.1 Ų62.112%0.12431%0.307CS..Hα-helixtrans-60.1-44.3177.200000111.7L51 V163 E164 Y169 R170 Q171L51-A167 VanDerWaalsContact CD2-CA 3.4Å; L51-A167 HydrophobicContact CD2-CB 3.8Å; V163-A167 PolarHBondContact O-N 2.77Å; E164-A167 PolarHBondContact O-N 2.77Å; A167-Y169 PolarHBondContact O-N 3.02Å; A167-R170 PolarHBondContact O-N 2.89Å; A167-Q171 PolarHBondContact O-N 3.35Å
168Q94.8Very high94.3Very high39 Ų3955.8 Ų55.818%0.18228%0.278CS..Hα-helixtrans-62.4-41.8175.6-73171.69.400112.3E164 L165 A166 Q171 Q172E164-Q168 HydrophobicContact CG-CG 4.48Å; E164-Q168 WeakPolarHBondContact O-CB 3.35Å; E164-Q168 WeakPolarHBondContact O-CG 3.43Å; E164-Q168 PolarHBondContact O-N 2.79Å; E164-Q168 WeakPolarHBondContact OE1-CG 3.28Å; E164-Q168 PolarHBondContact OE1-NE2 2.94Å; L165-Q168 PolarHBondContact O-N 3.41Å; A166-Q168 VanDerWaalsContact C-N 3.33Å; A166-Q168 PolarHBondContact O-N 2.99Å; Q168-Q171 PolarHBondContact O-N 2.86Å; Q168-Q172 CarbonylContact O-C 3.47Å; Q168-Q172 PolarHBondContact O-N 3.38Å; Q168-Q172 VanDerWaalsContact O-O 3.05Å
169Y95.1Very high94.3Very high19 Ų1956.9 Ų56.98%0.07528%0.284CS..Hα-helixtrans-65-41.7176.5-168-87000112.1T104 L106 L121 L165 A166 A167 Q172 A173 H175 L177T104-Y169 HydrophobicContact CG2-CD1 4.15Å; T104-Y169 HydrophobicContact CG2-CD2 4.19Å; T104-Y169 HydrophobicContact CG2-CE1 3.73Å; T104-Y169 HydrophobicContact CG2-CE2 3.8Å; T104-Y169 HydrophobicContact CG2-CG 4.37Å; L106-Y169 HydrophobicContact CD2-CD2 4.21Å; L106-Y169 HydrophobicContact CD2-CG 4Å; L121-Y169 HydrophobicContact CD2-CD1 3.58Å; L121-Y169 HydrophobicContact CD2-CE1 4.29Å; L121-Y169 HydrophobicContact CD2-CG 4.24Å; L165-Y169 WeakPolarHBondContact O-CB 3.36Å; L165-Y169 PolarHBondContact O-N 2.86Å; A166-Y169 PolarHBondContact O-N 3.06Å; A167-Y169 PolarHBondContact O-N 3.02Å; Y169-Q172 CarbonylContact O-C 3.26Å; Y169-Q172 VanDerWaalsContact O-C 3.27Å; Y169-Q172 PolarHBondContact O-N 3.04Å; Y169-A173 HydrophobicContact CE1-CB 4.39Å; Y169-A173 HydrophobicContact CE2-CB 4.3Å; Y169-A173 PolarHBondContact O-N 3.11Å; Y169-H175 AromaticContact CD2-NE2 3.96Å; Y169-H175 AromaticContact CE2-CE1 3.54Å; Y169-H175 AromaticContact CE2-ND1 3.89Å; Y169-H175 AromaticContact CE2-NE2 3.82Å; Y169-H175 PolarHBondContact OH-O 2.76Å; Y169-L177 HydrophobicContact CE1-CD2 4.4Å; Y169-L177 VanDerWaalsContact OH-CD2 3.26Å; Y169-L177 WeakPolarHBondContact OH-CD2 3.47Å
170R94.1Very high94.3Very high97 Ų9757.9 Ų57.937%0.36629%0.29SS..Hα-helixtrans-62.2-40.7175.4-71-76.1-179.1-117.64.6112.3L51 E103 L121 A166 A167L51-R170 HydrophobicContact CD2-CG 4.08Å; E103-R170 VanDerWaalsContact CD-NH2 3.3Å; E103-R170 IonicContact OE1-CZ 3.04Å; E103-R170 IonicContact OE1-NH1 3.49Å; E103-R170 IonicContact OE1-NH2 3.53Å; E103-R170 PolarHBondContact OE1-NH2 3.04Å; E103-R170 IonicContact OE2-CZ 3.84Å; E103-R170 IonicContact OE2-NH1 3.41Å; E103-R170 PolarHBondContact OE2-NH1 3.45Å; E103-R170 IonicContact OE2-NH2 2.64Å; E103-R170 PolarHBondContact OE2-NH2 3.1Å; L121-R170 VanDerWaalsContact CD2-CZ 3.42Å; A166-R170 VanDerWaalsContact O-CG 3.27Å; A166-R170 WeakPolarHBondContact O-CG 3.27Å; A166-R170 PolarHBondContact O-N 3.31Å; A167-R170 PolarHBondContact O-N 2.89Å
171Q92.7Very high94.2Very high172 Ų17256.3 Ų56.380%0.80428%0.281SS*.Hα-helixtrans-70.5-44.7178.4-174.317926.700111.9A167 Q168A167-Q171 PolarHBondContact O-N 3.35Å; Q168-Q171 PolarHBondContact O-N 2.86Å
172Q89.1Confident94.2Very high144 Ų14457.2 Ų57.267%0.67329%0.285SS*.SBendtrans-150.7108.8179.8-172.7174.525.600109.3Q168 Y169 R174Q168-Q172 CarbonylContact O-C 3.47Å; Q168-Q172 PolarHBondContact O-N 3.38Å; Q168-Q172 VanDerWaalsContact O-O 3.05Å; Y169-Q172 CarbonylContact O-C 3.26Å; Y169-Q172 VanDerWaalsContact O-C 3.27Å; Y169-Q172 PolarHBondContact O-N 3.04Å; Q172-R174 WeakPolarHBondContact O-CG 3.35Å; Q172-R174 PolarHBondContact O-N 2.98Å
173A86.1Confident94.2Very high66 Ų6659 Ų5955%0.54529%0.294SS..  trans-57111.117500000109.5Y169Y169-A173 HydrophobicContact CE1-CB 4.39Å; Y169-A173 HydrophobicContact CE2-CB 4.3Å; Y169-A173 PolarHBondContact O-N 3.11Å
174R81.8Confident94Very high102 Ų10261.4 Ų61.439%0.38531%0.31SS..  trans-82-34.1-171.8-63.9-168.6173.1175-0.8112Q172 S316 S317Q172-R174 WeakPolarHBondContact O-CG 3.35Å; Q172-R174 PolarHBondContact O-N 2.98Å; R174-S316 CarbonylContact C-O 3.49Å; R174-S316 VanDerWaalsContact CB-O 3.28Å; R174-S316 WeakPolarHBondContact CB-O 3.23Å; R174-S316 CarbonylContact O-C 3.5Å; R174-S317 VanDerWaalsContact O-CA 3.23Å; R174-S317 WeakPolarHBondContact O-CA 3.24Å
175H90.9Very high93.9Very high14 Ų1458.3 Ų58.37%0.06530%0.296CS..SBendtrans-132.7163.1175.85973.7000110.6T104 L105 Y169 S317T104-H175 PolarHBondContact OG1-CE1 3.43Å; L105-H175 PolarHBondContact O-CE1 3.37Å; Y169-H175 AromaticContact CD2-NE2 3.96Å; Y169-H175 AromaticContact CE2-CE1 3.54Å; Y169-H175 AromaticContact CE2-ND1 3.89Å; Y169-H175 AromaticContact CE2-NE2 3.82Å; Y169-H175 PolarHBondContact OH-O 2.76Å; H175-S317 VanDerWaalsContact CB-C 3.42Å; H175-S317 WeakPolarHBondContact CB-O 3.38Å
176P91.4Very high93.8Very high61 Ų6161 Ų6140%0.39631%0.311SS..  trans-56161.2173.4-23.634.8000112.7I178P176-I178 WeakPolarHBondContact O-CG1 3.43Å; P176-I178 PolarHBondContact O-N 2.87Å; P176-I178 VanDerWaalsContact O-N 3.08Å
177L93.6Very high93.7Very high118 Ų11862.6 Ų62.662%0.61832%0.319SS*.  trans-63110.7171-61.2170.2000108.5E103 Y169E103-L177 WeakPolarHBondContact O-CD2 3.37Å; Y169-L177 HydrophobicContact CE1-CD2 4.4Å; Y169-L177 VanDerWaalsContact OH-CD2 3.26Å; Y169-L177 WeakPolarHBondContact OH-CD2 3.47Å
178I95.8Very high93.6Very high2 Ų262 Ų621%0.0131%0.314CS..  trans-115.4118.4-177.2-69.9160.4000107.7T104 L105 P176 L255 V319T104-I178 PolarHBondContact OG1-N 3.31Å; T104-I178 VanDerWaalsContact OG1-N 3.11Å; T104-I178 PolarHBondContact OG1-O 2.69Å; L105-I178 WeakPolarHBondContact CB-O 3.33Å; L105-I178 PolarHBondContact N-O 3.18Å; P176-I178 WeakPolarHBondContact O-CG1 3.43Å; P176-I178 PolarHBondContact O-N 2.87Å; P176-I178 VanDerWaalsContact O-N 3.08Å; I178-L255 VanDerWaalsContact CD1-O 3.27Å; I178-L255 WeakPolarHBondContact CD1-O 3.36Å; I178-V319 HydrophobicContact CB-CG2 4.28Å; I178-V319 HydrophobicContact CD1-CG2 3.67Å; I178-V319 HydrophobicContact CG2-CG2 4.41Å
179L97.4Very high93.7Very high70 Ų7060.1 Ų60.137%0.36631%0.305SS..  trans-122.3156.3174.6-65.7179.6000109.9P102 F120 Q181P102-L179 HydrophobicContact CB-CD2 3.69Å; P102-L179 HydrophobicContact CG-CD1 4.46Å; P102-L179 HydrophobicContact CG-CD2 3.83Å; F120-L179 HydrophobicContact CD1-CD2 4.41Å; F120-L179 HydrophobicContact CE1-CD2 4.26Å; L179-Q181 PolarHBondContact O-N 3.4Å
180P97.4Very high93.9Very high21 Ų2159.6 Ų59.614%0.13630%0.303CS..  trans-56.4133.6174.1-2535.2000112I84 V85 F120 L257I84-P180 HydrophobicContact CB-CG 4.08Å; I84-P180 HydrophobicContact CD1-CB 4.47Å; I84-P180 HydrophobicContact CD1-CG 4.38Å; I84-P180 HydrophobicContact CG2-CG 3.92Å; V85-P180 HydrophobicContact CG2-CG 4.16Å; F120-P180 HydrophobicContact CE1-CG 4.18Å; F120-P180 HydrophobicContact CZ-CG 3.75Å; P180-L257 WeakPolarHBondContact CA-O 3.07Å; P180-L257 HydrophobicContact CB-CD1 3.72Å; P180-L257 HydrophobicContact CB-CG 4.2Å; P180-L257 HydrophobicContact CG-CD1 3.93Å; P180-L257 HydrophobicContact CG-CD2 4.18Å; P180-L257 HydrophobicContact CG-CG 4.22Å
181Q97.5Very high94.1Very high48 Ų4855.2 Ų55.222%0.22429%0.287CS..BIsolated β-bridgetrans-89.4128.2167.2-168.2-179.25.400109.9G18 L179 L183 L257 Q258 H259G18-Q181 PolarHBondContact O-OE1 3.17Å; L179-Q181 PolarHBondContact O-N 3.4Å; Q181-L183 HydrophobicContact CG-CD1 4.09Å; Q181-L183 HydrophobicContact CG-CG 4.07Å; Q181-L183 PolarHBondContact O-N 2.98Å; Q181-L257 PolarHBondContact N-O 2.8Å; Q181-Q258 HydrophobicContact CB-CB 4.48Å; Q181-Q258 VanDerWaalsContact O-CA 3.26Å; Q181-Q258 WeakPolarHBondContact O-CA 3.34Å; Q181-H259 PolarHBondContact O-N 2.71Å
182E97.4Very high94.3Very high115 Ų11547 Ų4754%0.53725%0.249SC..  trans-76.486.8178.9-66.4-177.3-174.600111.3T83 H259 L260T83-E182 HydrophobicContact CG2-CG 4.18Å; E182-H259 WeakPolarHBondContact CA-O 3.48Å; E182-L260 HydrophobicContact CB-CD1 4.17Å
183L96.6Very high94.8Very high39 Ų3940.2 Ų40.220%0.20422%0.216CC..  trans-135.1141.7175.7-70.7175000110.5G18 Q181 Q258 H259 L260G18-L183 WeakPolarHBondContact O-CD1 3.14Å; Q181-L183 HydrophobicContact CG-CD1 4.09Å; Q181-L183 HydrophobicContact CG-CG 4.07Å; Q181-L183 PolarHBondContact O-N 2.98Å; L183-Q258 HydrophobicContact CB-CB 4.32Å; L183-H259 CarbonylContact O-C 3.56Å; L183-L260 PolarHBondContact O-N 3.19Å
184P95.3Very high95.4Very high55 Ų5537 Ų3736%0.35719%0.19SC..  trans-64.3142179.127.6-34.3000110.8L260 S265P184-L260 HydrophobicContact CB-CD2 4.09Å; P184-S265 WeakPolarHBondContact CB-OG 3.4Å
185C94.8Very high96.1Very high4 Ų432.2 Ų32.23%0.02717%0.172CC..  trans-150.1138.4171.2-167.40000107.9L187 S265 G267C185-L187 PolarHBondContact SG-O 3.3Å; C185-L187 VanDerWaalsContact SG-O 3.33Å; C185-S265 CarbonylContact O-C 3.55Å; C185-S265 VanDerWaalsContact O-C 3.26Å; C185-S265 WeakPolarHBondContact O-CA 3.37Å; C185-S265 WeakPolarHBondContact O-CB 3.29Å; C185-G267 WeakPolarHBondContact O-CA 3.38Å; C185-G267 PolarHBondContact O-N 2.9Å
186D93.8Very high96.4Very high80 Ų8031.9 Ų31.943%0.42817%0.171SC..SBendtrans-102.7-9.9-178.1-63.7-29.3000112.6P35 V36 S265P35-D186 CarbonylContact C-O 3.37Å; P35-D186 VanDerWaalsContact CA-O 3.26Å; P35-D186 WeakPolarHBondContact CA-O 3.42Å; P35-D186 HydrophobicContact CB-CB 4.39Å; V36-D186 PolarHBondContact N-O 3.45Å; D186-S265 PolarHBondContact OD1-OG 2.97Å
187L95Very high96.5Very high33 Ų3332 Ų3217%0.17317%0.17CC..SBendtrans-122.5162.4-174.4-57.6179.3000110.8P33 C185 C189 A218 G267 I268P33-L187 HydrophobicContact CB-CD1 3.86Å; P33-L187 HydrophobicContact CB-CD2 3.55Å; P33-L187 HydrophobicContact CB-CG 4.37Å; P33-L187 HydrophobicContact CG-CD1 4.34Å; C185-L187 PolarHBondContact SG-O 3.3Å; C185-L187 VanDerWaalsContact SG-O 3.33Å; L187-C189 HydrophobicContact CB-CB 4.39Å; L187-A218 HydrophobicContact CD1-CB 4Å; L187-G267 CarbonylContact O-C 3.56Å; L187-G267 WeakPolarHBondContact O-CA 3.15Å; L187-I268 PolarHBondContact O-N 2.95Å
188V95.6Very high96.1Very high2 Ų227.2 Ų27.21%0.01215%0.147CC..EExtended strand (participates in β ladder)trans-82.7111.6153.6-177.90000106.3V36 V42 P113 C219 M230 I268V36-V188 HydrophobicContact CG1-CG2 3.98Å; V42-V188 HydrophobicContact CG1-CG2 4.03Å; P113-V188 HydrophobicContact CB-CG1 4.29Å; V188-C219 HydrophobicContact CB-CB 4.17Å; V188-C219 HydrophobicContact CG1-CB 3.99Å; V188-C219 WeakPolarHBondContact O-CB 3.49Å; V188-C219 PolarHBondContact O-N 3.39Å; V188-M230 HydrophobicContact CG1-CG 4.44Å; V188-M230 HydrophobicContact CG1-SD 3.94Å; V188-I268 HydrophobicContact CB-CG1 4.39Å; V188-I268 HydrophobicContact CG1-CD1 4.21Å; V188-I268 HydrophobicContact CG1-CG1 3.98Å; V188-I268 HydrophobicContact CG2-CG1 4.27Å
189C97.1Very high95.3Very high0 Ų032.2 Ų32.20%018%0.178CC..EExtended strand (participates in β ladder)trans-140.5168.3-178.768.10000112.6L187 V216 T217 I268 C269 L270L187-C189 HydrophobicContact CB-CB 4.39Å; C189-V216 HydrophobicContact CB-CG1 4.15Å; C189-T217 CarbonylContact C-O 3.25Å; C189-T217 VanDerWaalsContact CA-O 3.23Å; C189-T217 WeakPolarHBondContact CA-O 3.49Å; C189-T217 VanDerWaalsContact CB-O 3.27Å; C189-T217 WeakPolarHBondContact CB-O 3.36Å; C189-I268 PolarHBondContact N-O 3.27Å; C189-C269 VanDerWaalsContact O-CA 3.32Å; C189-C269 WeakPolarHBondContact O-CA 3.47Å; C189-L270 PolarHBondContact O-N 3.11Å
190Q97.8Very high94.2Very high9 Ų936.9 Ų36.94%0.04220%0.198CC..EExtended strand (participates in β ladder)trans-129.8121.6-178.8-68.4167.7100.200109.7L192 V216 T217 C219 M230 I234 L270 V272Q190-L192 HydrophobicContact CB-CD2 3.81Å; Q190-V216 CarbonylContact O-C 3.56Å; Q190-V216 WeakPolarHBondContact O-CA 3.45Å; Q190-T217 HydrophobicContact CB-CG2 4.05Å; Q190-T217 PolarHBondContact N-O 3.13Å; Q190-T217 PolarHBondContact O-N 3.44Å; Q190-C219 PolarHBondContact NE2-SG 2.91Å; Q190-C219 VanDerWaalsContact NE2-SG 3.43Å; Q190-M230 PolarHBondContact NE2-O 2.91Å; Q190-I234 VanDerWaalsContact OE1-CD1 3.24Å; Q190-L270 CarbonylContact C-O 3.59Å; Q190-L270 VanDerWaalsContact CA-O 3.27Å; Q190-L270 WeakPolarHBondContact CA-O 3.4Å; Q190-L270 HydrophobicContact CG-CB 4.29Å; Q190-V272 HydrophobicContact CB-CG2 3.9Å; Q190-V272 HydrophobicContact CG-CG2 3.84Å
191R98.3Very high93.8Very high5 Ų536.9 Ų36.92%0.01920%0.197CC..EExtended strand (participates in β ladder)trans-86.8122.3168.1179.8-175.8-59.61182.7108.3P19 L214 P215 V216 Q258 C269 L270 N271 V272P19-R191 PolarHBondContact O-NH2 2.86Å; R191-L214 HydrophobicContact CG-CB 3.99Å; R191-P215 CarbonylContact C-O 3.58Å; R191-P215 WeakPolarHBondContact CA-O 3.24Å; R191-V216 HydrophobicContact CB-CG2 4.16Å; R191-V216 HydrophobicContact CG-CG2 4.23Å; R191-Q258 VanDerWaalsContact NH2-OE1 3.09Å; R191-C269 PolarHBondContact N-SG 2.92Å; R191-L270 PolarHBondContact N-O 3.05Å; R191-N271 WeakPolarHBondContact CD-OD1 3.43Å; R191-N271 PolarHBondContact NH1-OD1 3.3Å; R191-N271 CarbonylContact O-C 3.54Å; R191-N271 WeakPolarHBondContact O-CA 3.37Å; R191-V272 PolarHBondContact O-N 2.83Å
192L98.5Very high93.7Very high0 Ų034.7 Ų34.70%019%0.187CC..EExtended strand (participates in β ladder)trans-101.2128.6-169.9-48.9-176.2000110.9Q190 V194 P215 T217 I234 L237 V272Q190-L192 HydrophobicContact CB-CD2 3.81Å; L192-V194 HydrophobicContact CB-CG2 3.64Å; L192-V194 HydrophobicContact CD1-CG2 4.13Å; L192-P215 PolarHBondContact N-O 2.78Å; L192-T217 HydrophobicContact CD1-CG2 4.11Å; L192-T217 HydrophobicContact CD2-CG2 4.3Å; L192-T217 HydrophobicContact CG-CG2 4.35Å; L192-I234 HydrophobicContact CD1-CG2 4.32Å; L192-I234 HydrophobicContact CD2-CD1 4.13Å; L192-I234 HydrophobicContact CD2-CG1 3.79Å; L192-L237 HydrophobicContact CD1-CD1 4.1Å; L192-L237 HydrophobicContact CD1-CD2 4.07Å; L192-L237 HydrophobicContact CD1-CG 4.47Å; L192-V272 HydrophobicContact CD2-CB 4.11Å
193V98.4Very high93.7Very high0 Ų031.3 Ų31.30%017%0.169CC..EExtended strand (participates in β ladder)trans-10184.6158.2-176.40000106L10 V13 T195 V204 L214 L255 V272 L273 V274 L309L10-V193 HydrophobicContact CD1-CG1 3.87Å; L10-V193 HydrophobicContact CD1-CG2 4.17Å; V13-V193 HydrophobicContact CB-CG2 4.5Å; V13-V193 HydrophobicContact CG1-CG2 3.56Å; V193-T195 HydrophobicContact CG1-CG2 4.04Å; V193-V204 HydrophobicContact CG1-CG1 4.47Å; V193-L214 HydrophobicContact CG2-CD1 4.19Å; V193-L255 HydrophobicContact CB-CD1 4.12Å; V193-L255 HydrophobicContact CG2-CD1 3.78Å; V193-V272 PolarHBondContact N-O 3.29Å; V193-L273 HydrophobicContact CB-CD1 4.12Å; V193-L273 HydrophobicContact CG1-CD1 3.94Å; V193-V274 PolarHBondContact O-N 3.17Å; V193-L309 HydrophobicContact CG1-CD2 3.88Å
194V98.6Very high93.8Very high0 Ų029.5 Ų29.50%016%0.16CC..EExtended strand (participates in β ladder)trans-85.8122.2177.2-171.10000108.2L192 V204 L205 L238 V274 V276 W297L192-V194 HydrophobicContact CB-CG2 3.64Å; L192-V194 HydrophobicContact CD1-CG2 4.13Å; V194-V204 CarbonylContact O-C 3.58Å; V194-V204 VanDerWaalsContact O-CA 3.31Å; V194-V204 WeakPolarHBondContact O-CA 3.35Å; V194-L205 HydrophobicContact CB-CB 3.71Å; V194-L205 HydrophobicContact CB-CD2 4.15Å; V194-L205 HydrophobicContact CG1-CB 4.37Å; V194-L205 HydrophobicContact CG1-CD2 4.48Å; V194-L205 HydrophobicContact CG2-CB 4.3Å; V194-L205 HydrophobicContact CG2-CD2 4.01Å; V194-L205 PolarHBondContact O-N 2.97Å; V194-L238 HydrophobicContact CG1-CD2 3.9Å; V194-L238 HydrophobicContact CG2-CD2 4.03Å; V194-V274 CarbonylContact C-O 3.58Å; V194-V274 WeakPolarHBondContact CA-O 3.42Å; V194-V274 HydrophobicContact CG1-CB 4.43Å; V194-V274 HydrophobicContact CG1-CG1 4.42Å; V194-V274 HydrophobicContact CG2-CB 4.31Å; V194-V276 HydrophobicContact CG1-CG2 3.52Å; V194-W297 HydrophobicContact CG1-CH2 4.14Å
195T97.8Very high93.9Very high0 Ų026.9 Ų26.90%014%0.143CC..EExtended strand (participates in β ladder)trans-115.2144.8-174.358.50000111.7V193 V202 W203 V204 L273 V274 T275 V276 L309V193-T195 HydrophobicContact CG1-CG2 4.04Å; T195-V202 HydrophobicContact CG2-CG1 4.21Å; T195-W203 CarbonylContact C-O 3.57Å; T195-W203 VanDerWaalsContact CA-O 3.22Å; T195-W203 WeakPolarHBondContact CA-O 3.37Å; T195-V204 HydrophobicContact CG2-CG2 4.42Å; T195-L273 HydrophobicContact CG2-CD1 4.01Å; T195-V274 PolarHBondContact N-O 2.62Å; T195-V274 PolarHBondContact OG1-O 3.32Å; T195-T275 WeakPolarHBondContact OG1-CG2 3.45Å; T195-V276 PolarHBondContact O-N 3.37Å; T195-L309 HydrophobicContact CG2-CD2 4.09Å
196F96.3Very high94.1Very high8 Ų826.7 Ų26.74%0.03514%0.141CC..EExtended strand (participates in β ladder)trans-124.4130161.9174.1-88.8000107.5W203 V276 F278 Q284 E286 P287 W297F196-W203 HydrophobicContact CB-CB 4.32Å; F196-W203 AromaticContact CD1-CD1 3.94Å; F196-W203 PolarHBondContact N-O 3.4Å; F196-W203 PolarHBondContact O-N 3.14Å; F196-V276 VanDerWaalsContact CD2-O 3.3Å; F196-V276 WeakPolarHBondContact CD2-O 3.25Å; F196-F278 AromaticContact CE2-CD2 3.67Å; F196-F278 HydrophobicContact CE2-CD2 3.67Å; F196-F278 AromaticContact CE2-CE2 3.56Å; F196-F278 HydrophobicContact CE2-CE2 3.56Å; F196-F278 HydrophobicContact CZ-CD2 4.1Å; F196-F278 AromaticContact CZ-CE2 3.84Å; F196-F278 HydrophobicContact CZ-CE2 3.84Å; F196-Q284 HydrophobicContact CZ-CB 4.21Å; F196-E286 WeakPolarHBondContact CE1-O 3.49Å; F196-E286 VanDerWaalsContact CZ-O 3.29Å; F196-E286 WeakPolarHBondContact CZ-O 3.47Å; F196-P287 HydrophobicContact CB-CB 3.98Å; F196-P287 HydrophobicContact CD1-CB 3.65Å; F196-P287 HydrophobicContact CD2-CB 4.44Å; F196-P287 HydrophobicContact CE1-CB 4.25Å; F196-P287 HydrophobicContact CG-CB 3.76Å; F196-W297 HydrophobicContact CB-CE3 4.46Å; F196-W297 HydrophobicContact CB-CH2 3.95Å; F196-W297 HydrophobicContact CB-CZ2 4.49Å; F196-W297 HydrophobicContact CB-CZ3 3.94Å
197T92.8Very high94.2Very high63 Ų6322.9 Ų22.939%0.38712%0.121SC..EExtended strand (participates in β ladder)trans-117.6124.5-176.1-47.10000109.7T201 V202 L310T197-T201 WeakPolarHBondContact CA-O 3.45Å; T197-V202 HydrophobicContact CG2-CG2 4.13Å; T197-L310 HydrophobicContact CG2-CD2 4.12Å
198S86.3Confident94.3Very high18 Ų1823.5 Ų23.513%0.12613%0.126CC..EExtended strand (participates in β ladder)trans-103.2-175.3165.3710000109.9Q200 T201 Q284S198-Q200 PolarHBondContact O-N 2.87Å; S198-T201 PolarHBondContact N-O 3.27Å; S198-Q284 WeakPolarHBondContact CB-O 3.49Å
199T78.3Confident94.1Very high107 Ų10727.6 Ų27.666%0.65615%0.151SC*.THydrogen-bonded Turntrans-52.9-33.1-171.649.20000114.8I283T199-I283 HydrophobicContact CG2-CG2 4.23Å
200Q75.1Confident93.7Very high168 Ų16831 Ų3179%0.78519%0.186SC*.THydrogen-bonded Turntrans-141.417.5-178.5-62.4-174.9-7.300113.3S198S198-Q200 PolarHBondContact O-N 2.87Å
201T89.3Confident93.4Very high21 Ų2137.1 Ų37.113%0.12922%0.216CC..EExtended strand (participates in β ladder)trans-144.4134.4-174.3-61.90000110.7T197 S198 W203 K299T197-T201 WeakPolarHBondContact CA-O 3.45Å; S198-T201 PolarHBondContact N-O 3.27Å; T201-W203 HydrophobicContact CG2-CG 4.42Å; T201-K299 HydrophobicContact CG2-CD 4.05Å; T201-K299 HydrophobicContact CG2-CG 3.55Å
202V94.4Very high93.2Very high1 Ų139.1 Ų39.11%0.00623%0.23CC..EExtended strand (participates in β ladder)trans-105128.7168.4-171.40000108.7T195 T197 V300 L309 L310T195-V202 HydrophobicContact CG2-CG1 4.21Å; T197-V202 HydrophobicContact CG2-CG2 4.13Å; V202-V300 PolarHBondContact O-N 2.91Å; V202-V300 VanDerWaalsContact O-N 3.15Å; V202-L309 HydrophobicContact CB-CD1 4.45Å; V202-L309 HydrophobicContact CG1-CB 4.46Å; V202-L309 HydrophobicContact CG1-CD1 3.95Å; V202-L310 HydrophobicContact CG2-CD2 3.66Å; V202-L310 HydrophobicContact CG2-CG 3.89Å
203W97.4Very high93.1Very high45 Ų4541.2 Ų41.217%0.1724%0.239CC..EExtended strand (participates in β ladder)trans-106.7142172.6-62.881.7000109.2T195 F196 T201 P287 W297 W298 K299T195-W203 CarbonylContact C-O 3.57Å; T195-W203 VanDerWaalsContact CA-O 3.22Å; T195-W203 WeakPolarHBondContact CA-O 3.37Å; F196-W203 HydrophobicContact CB-CB 4.32Å; F196-W203 AromaticContact CD1-CD1 3.94Å; F196-W203 PolarHBondContact N-O 3.4Å; F196-W203 PolarHBondContact O-N 3.14Å; T201-W203 HydrophobicContact CG2-CG 4.42Å; W203-P287 HydrophobicContact CD2-CG 3.93Å; W203-P287 HydrophobicContact CE3-CG 4.11Å; W203-P287 HydrophobicContact CG-CB 4.46Å; W203-P287 HydrophobicContact CG-CG 4.12Å; W203-W297 HydrophobicContact CB-CE3 3.85Å; W203-W297 HydrophobicContact CB-CZ3 4.49Å; W203-W297 HydrophobicContact CD2-CB 4.5Å; W203-W297 HydrophobicContact CE3-CB 3.71Å; W203-W297 HydrophobicContact CZ3-CB 4.29Å; W203-W298 CarbonylContact C-O 3.59Å; W203-W298 VanDerWaalsContact CA-O 3.31Å; W203-W298 WeakPolarHBondContact CA-O 3.4Å; W203-K299 HydrophobicContact CD2-CB 4.08Å; W203-K299 HydrophobicContact CD2-CG 4.28Å; W203-K299 VanDerWaalsContact CE3-CA 3.49Å; W203-K299 HydrophobicContact CE3-CB 3.67Å; W203-K299 HydrophobicContact CE3-CG 4.35Å; W203-K299 VanDerWaalsContact CE3-N 3.28Å; W203-K299 HydrophobicContact CH2-CB 3.71Å; W203-K299 HydrophobicContact CH2-CD 3.98Å; W203-K299 HydrophobicContact CH2-CG 4.07Å; W203-K299 HydrophobicContact CZ2-CB 4.08Å; W203-K299 HydrophobicContact CZ2-CD 3.83Å; W203-K299 HydrophobicContact CZ2-CG 3.94Å; W203-K299 HydrophobicContact CZ3-CB 3.5Å; W203-K299 VanDerWaalsContact CZ3-CB 3.5Å; W203-K299 HydrophobicContact CZ3-CG 4.28Å
204V98.3Very high93.1Very high0 Ų041.5 Ų41.50%024%0.241CC..EExtended strand (participates in β ladder)trans-119.3134.6177177.60000109.4L10 V193 V194 T195 L214 W298 V300 L309L10-V204 HydrophobicContact CD2-CG2 4.24Å; V193-V204 HydrophobicContact CG1-CG1 4.47Å; V194-V204 CarbonylContact O-C 3.58Å; V194-V204 VanDerWaalsContact O-CA 3.31Å; V194-V204 WeakPolarHBondContact O-CA 3.35Å; T195-V204 HydrophobicContact CG2-CG2 4.42Å; V204-L214 HydrophobicContact CG1-CD2 3.86Å; V204-W298 HydrophobicContact CB-CE3 4.27Å; V204-W298 PolarHBondContact N-O 2.86Å; V204-W298 PolarHBondContact O-N 3.28Å; V204-V300 HydrophobicContact CB-CG2 4.38Å; V204-V300 HydrophobicContact CG2-CG2 3.69Å; V204-L309 HydrophobicContact CG2-CD1 3.97Å
205L98.6Very high93Very high0 Ų041.5 Ų41.50%024%0.241CC..EExtended strand (participates in β ladder)trans-71.7134.6173.9-172.570.1000110V194 P215 L237 L238 I290 F295 W297V194-L205 HydrophobicContact CB-CB 3.71Å; V194-L205 HydrophobicContact CB-CD2 4.15Å; V194-L205 HydrophobicContact CG1-CB 4.37Å; V194-L205 HydrophobicContact CG1-CD2 4.48Å; V194-L205 HydrophobicContact CG2-CB 4.3Å; V194-L205 HydrophobicContact CG2-CD2 4.01Å; V194-L205 PolarHBondContact O-N 2.97Å; L205-P215 HydrophobicContact CD2-CG 4.24Å; L205-P215 HydrophobicContact CG-CG 4.19Å; L205-P215 WeakPolarHBondContact O-CD 3.3Å; L205-L237 HydrophobicContact CD2-CD2 4.16Å; L205-L238 HydrophobicContact CD2-CD2 4.14Å; L205-I290 HydrophobicContact CD1-CD1 3.38Å; L205-F295 HydrophobicContact CD1-CB 4.11Å; L205-F295 HydrophobicContact CG-CD1 4.45Å; L205-W297 HydrophobicContact CB-CE3 4.26Å; L205-W297 HydrophobicContact CB-CH2 4.3Å; L205-W297 HydrophobicContact CB-CZ3 3.97Å; L205-W297 HydrophobicContact CD1-CD2 4.41Å; L205-W297 HydrophobicContact CD1-CZ2 4.41Å
206V98.3Very high93Very high0 Ų042 Ų420%024%0.244CC..EExtended strand (participates in β ladder)trans-131134.2-175.8-178.40000109.6L6 P212 H213 F295 F296 W298L6-V206 HydrophobicContact CD1-CG1 4.17Å; L6-V206 HydrophobicContact CD1-CG2 4.34Å; L6-V206 HydrophobicContact CD2-CG1 4Å; L6-V206 HydrophobicContact CD2-CG2 3.64Å; V206-P212 HydrophobicContact CG1-CB 3.96Å; V206-H213 WeakPolarHBondContact CA-O 3.37Å; V206-H213 WeakPolarHBondContact CG1-O 3.27Å; V206-F295 CarbonylContact O-C 3.57Å; V206-F295 WeakPolarHBondContact O-CA 3.38Å; V206-F296 HydrophobicContact CB-CD1 3.97Å; V206-F296 HydrophobicContact CB-CE1 3.55Å; V206-F296 HydrophobicContact CB-CE2 4.42Å; V206-F296 HydrophobicContact CB-CZ 3.8Å; V206-F296 HydrophobicContact CG1-CD1 4.21Å; V206-F296 HydrophobicContact CG1-CE1 3.38Å; V206-F296 HydrophobicContact CG1-CZ 3.7Å; V206-F296 HydrophobicContact CG2-CE1 4.45Å; V206-F296 HydrophobicContact CG2-CZ 4.21Å; V206-F296 PolarHBondContact N-O 3.41Å; V206-F296 PolarHBondContact O-N 2.87Å; V206-W298 HydrophobicContact CG2-CB 3.54Å; V206-W298 HydrophobicContact CG2-CE3 4.42Å; V206-W298 HydrophobicContact CG2-CG 4.47Å
207G97.3Very high93.1Very high0 Ų041.6 Ų41.60%024%0.242CC..EExtended strand (participates in β ladder)trans-81.2142.3170.600000111.2P212 H213 N294G207-P212 WeakPolarHBondContact O-CA 3.24Å; G207-H213 PolarHBondContact N-O 3.13Å; G207-H213 PolarHBondContact O-N 2.78Å; G207-H213 VanDerWaalsContact O-N 3.16Å; G207-N294 WeakPolarHBondContact CA-O 3.48Å
208T95.1Very high93.2Very high47 Ų4738.6 Ų38.629%0.28822%0.224SC..  trans-111.6-8.9-176600000113.9G210 E293 N294 F296T208-G210 PolarHBondContact O-N 3.43Å; T208-G210 VanDerWaalsContact O-N 3.08Å; T208-E293 PolarHBondContact OG1-O 3.16Å; T208-N294 PolarHBondContact N-O 2.98Å; T208-N294 WeakPolarHBondContact OG1-CA 3.39Å; T208-N294 PolarHBondContact OG1-O 2.8Å; T208-N294 VanDerWaalsContact OG1-O 3.05Å; T208-F296 HydrophobicContact CG2-CD1 3.32Å; T208-F296 HydrophobicContact CG2-CE1 3.71Å; T208-F296 HydrophobicContact CG2-CG 4.48Å
209V91.6Very high93.5Very high87 Ų8738.2 Ų38.253%0.52722%0.221SC..SBendtrans-68.7110.1179.9-177.10000108.9N294V209-N294 HydrophobicContact CG2-CB 4.04Å
210G89.8Confident94Very high71 Ų7133.3 Ų33.373%0.73219%0.192SC*.SBendtrans84.8-126.4-17000000111.6T208T208-G210 PolarHBondContact O-N 3.43Å; T208-G210 VanDerWaalsContact O-N 3.08Å
211M90.6Very high94.4Very high139 Ų13928.1 Ų28.169%0.68517%0.169SC*.SBendtrans-89.5144.9175.1-68.8-63.1-68.400110.2H213M211-H213 PolarHBondContact O-N 3.33Å; M211-H213 PolarHBondContact O-ND1 2.69Å
212P94.9Very high94.1Very high46 Ų4630 Ų3030%0.29918%0.179SC..  trans-53.1127.4175.1-28.335.9000112.6V206 G207V206-P212 HydrophobicContact CG1-CB 3.96Å; G207-P212 WeakPolarHBondContact O-CA 3.24Å
213H96.4Very high93.7Very high44 Ų4434.2 Ų34.220%0.20421%0.206CC..BIsolated β-bridgetrans-150.6165-174.462.7-78.7000112.7D25 V206 G207 M211D25-H213 IonicContact OD1-CE1 3.4Å; D25-H213 PolarHBondContact OD1-CE1 3.03Å; D25-H213 IonicContact OD1-NE2 3.16Å; D25-H213 PolarHBondContact OD1-NE2 2.85Å; D25-H213 IonicContact OD2-CD2 3.54Å; D25-H213 IonicContact OD2-NE2 3.65Å; D25-H213 PolarHBondContact OD2-NE2 3.48Å; D25-H213 VanDerWaalsContact OD2-NE2 3.16Å; V206-H213 WeakPolarHBondContact CA-O 3.37Å; V206-H213 WeakPolarHBondContact CG1-O 3.27Å; G207-H213 PolarHBondContact N-O 3.13Å; G207-H213 PolarHBondContact O-N 2.78Å; G207-H213 VanDerWaalsContact O-N 3.16Å; M211-H213 PolarHBondContact O-N 3.33Å; M211-H213 PolarHBondContact O-ND1 2.69Å
214L97.8Very high93Very high7 Ų736.1 Ų36.14%0.03722%0.223CC..  trans-70.9124.8170.9-64.8174.7000109.2L6 L10 V13 R191 V193 V204L6-L214 HydrophobicContact CD1-CD2 4.48Å; L10-L214 HydrophobicContact CD1-CD2 4.45Å; V13-L214 HydrophobicContact CB-CD1 4.1Å; V13-L214 HydrophobicContact CG1-CD1 4.47Å; V13-L214 HydrophobicContact CG2-CD1 3.73Å; R191-L214 HydrophobicContact CG-CB 3.99Å; V193-L214 HydrophobicContact CG2-CD1 4.19Å; V204-L214 HydrophobicContact CG1-CD2 3.86Å
215P97.9Very high92.2Very high0 Ų036.4 Ų36.40%022%0.224CC..  trans-56.6140.3-173.3-27.434.5000113.5D25 R191 L192 L205 L237 F295D25-P215 VanDerWaalsContact OD2-CA 3.23Å; D25-P215 WeakPolarHBondContact OD2-CA 3.37Å; R191-P215 CarbonylContact C-O 3.58Å; R191-P215 WeakPolarHBondContact CA-O 3.24Å; L192-P215 PolarHBondContact N-O 2.78Å; L205-P215 HydrophobicContact CD2-CG 4.24Å; L205-P215 HydrophobicContact CG-CG 4.19Å; L205-P215 WeakPolarHBondContact O-CD 3.3Å; P215-L237 HydrophobicContact CB-CD1 3.9Å; P215-L237 HydrophobicContact CB-CD2 4.33Å; P215-F295 HydrophobicContact CB-CE1 4.05Å; P215-F295 HydrophobicContact CG-CD1 4.14Å; P215-F295 HydrophobicContact CG-CE1 4.04Å
216V97.6Very high91.6Very high9 Ų938.5 Ų38.56%0.05523%0.233CC..EExtended strand (participates in β ladder)trans-119.7129.3176.5-179.70000109.7V21 C24 D25 S26 C189 Q190 R191V21-V216 HydrophobicContact CG1-CG1 4.01Å; V21-V216 HydrophobicContact CG2-CG1 4.47Å; C24-V216 CarbonylContact C-O 3.55Å; C24-V216 WeakPolarHBondContact CA-O 3.29Å; C24-V216 HydrophobicContact CB-CG1 4.41Å; D25-V216 PolarHBondContact N-O 2.95Å; D25-V216 PolarHBondContact OD2-N 3.18Å; S26-V216 PolarHBondContact N-O 3.21Å; C189-V216 HydrophobicContact CB-CG1 4.15Å; Q190-V216 CarbonylContact O-C 3.56Å; Q190-V216 WeakPolarHBondContact O-CA 3.45Å; R191-V216 HydrophobicContact CB-CG2 4.16Å; R191-V216 HydrophobicContact CG-CG2 4.23Å
217T96.6Very high91.2Very high0 Ų046.2 Ų46.20%026%0.263CS..EExtended strand (participates in β ladder)trans-120.7131.6175.9-174.90000111.7S26 C189 Q190 L192 A233S26-T217 CarbonylContact O-C 3.51Å; S26-T217 WeakPolarHBondContact O-CA 3.47Å; S26-T217 PolarHBondContact O-OG1 3.11Å; C189-T217 CarbonylContact C-O 3.25Å; C189-T217 VanDerWaalsContact CA-O 3.23Å; C189-T217 WeakPolarHBondContact CA-O 3.49Å; C189-T217 VanDerWaalsContact CB-O 3.27Å; C189-T217 WeakPolarHBondContact CB-O 3.36Å; Q190-T217 HydrophobicContact CB-CG2 4.05Å; Q190-T217 PolarHBondContact N-O 3.13Å; Q190-T217 PolarHBondContact O-N 3.44Å; L192-T217 HydrophobicContact CD1-CG2 4.11Å; L192-T217 HydrophobicContact CD2-CG2 4.3Å; L192-T217 HydrophobicContact CG-CG2 4.35Å; T217-A233 HydrophobicContact CG2-CB 3.8Å; T217-A233 PolarHBondContact OG1-O 2.97Å
218A95.8Very high90.8Very high0 Ų046.7 Ų46.70%027%0.268CS..EExtended strand (participates in β ladder)trans-80.9138.9174.800000110.8C24 S26 A27 P33 L187 A233 R236C24-A218 HydrophobicContact CB-CB 4.33Å; S26-A218 PolarHBondContact O-N 2.92Å; A27-A218 HydrophobicContact CB-CB 4.23Å; P33-A218 HydrophobicContact CG-CB 4.25Å; L187-A218 HydrophobicContact CD1-CB 4Å; A218-A233 WeakPolarHBondContact O-CB 3.47Å; A218-R236 PolarHBondContact O-NH2 2.76Å
219C93.6Very high90.7Very high10 Ų1044.5 Ų44.57%0.06825%0.254CS..PPolyproline II helixtrans-80.6136.5169.7-58.60000109.9P113 V188 Q190P113-C219 HydrophobicContact CB-CB 3.77Å; P113-C219 HydrophobicContact CG-CB 4.33Å; V188-C219 HydrophobicContact CB-CB 4.17Å; V188-C219 HydrophobicContact CG1-CB 3.99Å; V188-C219 WeakPolarHBondContact O-CB 3.49Å; V188-C219 PolarHBondContact O-N 3.39Å; Q190-C219 PolarHBondContact NE2-SG 2.91Å; Q190-C219 VanDerWaalsContact NE2-SG 3.43Å
220G87.1Confident90.8Very high5 Ų540.5 Ų40.55%0.05223%0.23CC..PPolyproline II helixtrans-84.1146.1172.300000111.8P113 E225P113-G220 WeakPolarHBondContact CG-O 3.35Å; G220-E225 VanDerWaalsContact CA-CD 3.43Å; G220-E225 WeakPolarHBondContact CA-OE1 3.45Å; G220-E225 PolarHBondContact N-OE1 3.33Å; G220-E225 PolarHBondContact N-OE2 3.19Å; G220-E225 VanDerWaalsContact O-CB 3.23Å; G220-E225 WeakPolarHBondContact O-CB 3.29Å
221L83.4Confident91Very high58 Ų5841.8 Ų41.830%0.30422%0.215SC..  trans-99.27176.2-55.6-174.7000112.6N41 V42 P113 Q226N41-L221 HydrophobicContact CB-CD1 4.03Å; V42-L221 HydrophobicContact CG1-CD1 4.42Å; P113-L221 HydrophobicContact CB-CD2 3.94Å; P113-L221 HydrophobicContact CG-CD2 4.01Å; L221-Q226 WeakPolarHBondContact O-CG 3.03Å; L221-Q226 PolarHBondContact O-NE2 2.9Å; L221-Q226 VanDerWaalsContact O-NE2 3.16Å
222D84.6Confident91.2Very high61 Ų6138 Ų3833%0.32620%0.197SC..SBendtrans-71.2160.517874.775.1000112.4V224 E225 Q226D222-V224 PolarHBondContact O-N 3.11Å; D222-V224 VanDerWaalsContact O-N 3.09Å; D222-V224 WeakPolarHBondContact OD1-CA 3.27Å; D222-V224 VanDerWaalsContact OD1-CB 3.24Å; D222-V224 WeakPolarHBondContact OD1-CB 3.29Å; D222-V224 PolarHBondContact OD1-N 2.83Å; D222-E225 PolarHBondContact O-N 3.21Å; D222-E225 VanDerWaalsContact O-N 3.16Å; D222-E225 PolarHBondContact OD1-N 3.14Å; D222-E225 VanDerWaalsContact OD1-N 3.17Å; D222-Q226 VanDerWaalsContact O-CG 3.25Å; D222-Q226 WeakPolarHBondContact O-CG 3.45Å; D222-Q226 PolarHBondContact O-N 3.41Å
223P84.6Confident91.2Very high89 Ų8935.9 Ų35.958%0.57818%0.183SC*.Hα-helixtrans-58.5-26.5-174.9-26.735.6000115.9R227P223-R227 WeakPolarHBondContact O-CG 3.23Å; P223-R227 PolarHBondContact O-N 3.19Å
224V84.1Confident91.2Very high86 Ų8633.8 Ų33.852%0.52117%0.173SC..Hα-helixtrans-72.5-48.4178.3179.20000109.4D222 R227 G228D222-V224 PolarHBondContact O-N 3.11Å; D222-V224 VanDerWaalsContact O-N 3.09Å; D222-V224 WeakPolarHBondContact OD1-CA 3.27Å; D222-V224 VanDerWaalsContact OD1-CB 3.24Å; D222-V224 WeakPolarHBondContact OD1-CB 3.29Å; D222-V224 PolarHBondContact OD1-N 2.83Å; V224-R227 PolarHBondContact O-N 3.21Å; V224-G228 PolarHBondContact O-N 2.85Å
225E81.3Confident91.1Very high6 Ų635.8 Ų35.83%0.02818%0.184CC..Hα-helixtrans-68.7-35.6177.6-74.6-154.6-134.700113.2P28 G220 D222 R227 G228 G229 M232 R236P28-E225 VanDerWaalsContact CG-OE1 3.3Å; P28-E225 WeakPolarHBondContact CG-OE1 3.09Å; G220-E225 VanDerWaalsContact CA-CD 3.43Å; G220-E225 WeakPolarHBondContact CA-OE1 3.45Å; G220-E225 PolarHBondContact N-OE1 3.33Å; G220-E225 PolarHBondContact N-OE2 3.19Å; G220-E225 VanDerWaalsContact O-CB 3.23Å; G220-E225 WeakPolarHBondContact O-CB 3.29Å; D222-E225 PolarHBondContact O-N 3.21Å; D222-E225 VanDerWaalsContact O-N 3.16Å; D222-E225 PolarHBondContact OD1-N 3.14Å; D222-E225 VanDerWaalsContact OD1-N 3.17Å; E225-R227 VanDerWaalsContact C-N 3.26Å; E225-R227 PolarHBondContact O-N 2.88Å; E225-G228 PolarHBondContact O-N 3.16Å; E225-G229 PolarHBondContact O-N 3.31Å; E225-M232 HydrophobicContact CG-CB 4.15Å; E225-R236 IonicContact OE1-CZ 3.38Å; E225-R236 VanDerWaalsContact OE1-CZ 3.24Å; E225-R236 IonicContact OE1-NH1 3.32Å; E225-R236 PolarHBondContact OE1-NH1 3.1Å; E225-R236 IonicContact OE1-NH2 3.28Å; E225-R236 PolarHBondContact OE1-NH2 3.44Å; E225-R236 IonicContact OE2-NH1 3.04Å; E225-R236 IonicContact OE2-NH2 3.13Å
226Q86.6Confident91Very high43 Ų4337.9 Ų37.920%0.20119%0.191CC..Hα-helixtrans-58.2-39.7172.1-63.8-65.1-1.100112.6P113 S114 L221 D222P113-Q226 VanDerWaalsContact CD-OE1 3.25Å; S114-Q226 PolarHBondContact OG-NE2 3.48Å; L221-Q226 WeakPolarHBondContact O-CG 3.03Å; L221-Q226 PolarHBondContact O-NE2 2.9Å; L221-Q226 VanDerWaalsContact O-NE2 3.16Å; D222-Q226 VanDerWaalsContact O-CG 3.25Å; D222-Q226 WeakPolarHBondContact O-CG 3.45Å; D222-Q226 PolarHBondContact O-N 3.41Å
227R88.4Confident90.9Very high162 Ų16237.4 Ų37.461%0.61119%0.189SC*.Hα-helixtrans-76.6-25.5175.1-73.8-169.7-60-95.4-1.6113.3P223 V224 E225 R323P223-R227 WeakPolarHBondContact O-CG 3.23Å; P223-R227 PolarHBondContact O-N 3.19Å; V224-R227 PolarHBondContact O-N 3.21Å; E225-R227 VanDerWaalsContact C-N 3.26Å; E225-R227 PolarHBondContact O-N 2.88Å; R227-R323 PolarHBondContact O-NH1 3.1Å; R227-R323 PolarHBondContact O-NH2 3.13Å
228G89.5Confident91Very high11 Ų1137.4 Ų37.411%0.11319%0.189CC..Hα-helixtrans-85.8-28.4-179.400000114V224 E225 K231 M232 R323V224-G228 PolarHBondContact O-N 2.85Å; E225-G228 PolarHBondContact O-N 3.16Å; G228-K231 VanDerWaalsContact O-CE 3.27Å; G228-K231 WeakPolarHBondContact O-CE 3.42Å; G228-K231 WeakPolarHBondContact O-CG 3.48Å; G228-M232 VanDerWaalsContact CA-CG 3.44Å; G228-R323 PolarHBondContact O-NH1 2.84Å
229G92.5Very high91Very high0 Ų043 Ų430%022%0.215CC..  trans83.6176-170.700000112.3E110 E225 K231 M232E110-G229 WeakPolarHBondContact OE1-CA 3.23Å; E225-G229 PolarHBondContact O-N 3.31Å; G229-K231 PolarHBondContact O-N 2.93Å; G229-K231 VanDerWaalsContact O-N 3.1Å; G229-M232 WeakPolarHBondContact O-CB 3.07Å; G229-M232 WeakPolarHBondContact O-CG 3.3Å; G229-M232 PolarHBondContact O-N 2.85Å
230M93.1Very high91Very high3 Ų346.8 Ų46.82%0.01523%0.232CC..THydrogen-bonded Turntrans-57.9-26.3-179.7-75.3-175.5-72.400112.6E110 P113 V116 V188 Q190 M232 A233 L270 V321E110-M230 HydrophobicContact CB-CE 3.73Å; E110-M230 HydrophobicContact CG-CE 4.06Å; E110-M230 PolarHBondContact OE1-N 3.3Å; E110-M230 VanDerWaalsContact OE1-N 3.16Å; E110-M230 WeakPolarHBondContact OE2-CB 3.39Å; E110-M230 WeakPolarHBondContact OE2-CE 3.23Å; E110-M230 WeakPolarHBondContact OE2-CG 3.27Å; E110-M230 PolarHBondContact OE2-N 2.63Å; P113-M230 HydrophobicContact CB-CG 4.08Å; V116-M230 HydrophobicContact CG2-CE 4.46Å; V188-M230 HydrophobicContact CG1-CG 4.44Å; V188-M230 HydrophobicContact CG1-SD 3.94Å; Q190-M230 PolarHBondContact NE2-O 2.91Å; M230-M232 PolarHBondContact O-N 2.78Å; M230-A233 PolarHBondContact O-N 2.78Å; M230-A233 VanDerWaalsContact O-N 3.11Å; M230-L270 HydrophobicContact CE-CD1 3.67Å; M230-L270 HydrophobicContact SD-CD1 3.57Å; M230-L270 VanDerWaalsContact SD-CD1 3.57Å; M230-V321 HydrophobicContact CE-CG1 4.42Å
231K94.5Very high91.5Very high99 Ų9946.5 Ų46.543%0.4323%0.229SC..Hα-helixtrans-56.4-23.1175.370.2178.4-177.1-176.50114.2G228 G229 A233 I234 L235 I251G228-K231 VanDerWaalsContact O-CE 3.27Å; G228-K231 WeakPolarHBondContact O-CE 3.42Å; G228-K231 WeakPolarHBondContact O-CG 3.48Å; G229-K231 PolarHBondContact O-N 2.93Å; G229-K231 VanDerWaalsContact O-N 3.1Å; K231-A233 VanDerWaalsContact C-N 3.3Å; K231-A233 PolarHBondContact O-N 2.92Å; K231-I234 PolarHBondContact O-N 2.8Å; K231-L235 WeakPolarHBondContact O-CG 3.09Å; K231-L235 PolarHBondContact O-N 2.81Å; K231-I251 HydrophobicContact CB-CD1 3.5Å
232M94.1Very high92.1Very high60 Ų6043.8 Ų43.830%0.29622%0.215SC..Hα-helixtrans-63-37.6178.2-68.3-53-58.100112.5E225 G228 G229 M230 L235 R236E225-M232 HydrophobicContact CG-CB 4.15Å; G228-M232 VanDerWaalsContact CA-CG 3.44Å; G229-M232 WeakPolarHBondContact O-CB 3.07Å; G229-M232 WeakPolarHBondContact O-CG 3.3Å; G229-M232 PolarHBondContact O-N 2.85Å; M230-M232 PolarHBondContact O-N 2.78Å; M232-L235 PolarHBondContact O-N 3.02Å; M232-R236 WeakPolarHBondContact O-CB 3.15Å; M232-R236 PolarHBondContact O-N 2.89Å
233A94.9Very high92.6Very high0 Ų043 Ų430%021%0.212CC..Hα-helixtrans-64.2-41.4177.200000111.5T217 A218 M230 K231 R236 L237T217-A233 HydrophobicContact CG2-CB 3.8Å; T217-A233 PolarHBondContact OG1-O 2.97Å; A218-A233 WeakPolarHBondContact O-CB 3.47Å; M230-A233 PolarHBondContact O-N 2.78Å; M230-A233 VanDerWaalsContact O-N 3.11Å; K231-A233 VanDerWaalsContact C-N 3.3Å; K231-A233 PolarHBondContact O-N 2.92Å; A233-R236 PolarHBondContact O-N 3.41Å; A233-L237 PolarHBondContact O-N 3.13Å
234I96.8Very high92.9Very high0 Ų040.4 Ų40.40%019%0.193CC..Hα-helixtrans-60-51.5174.2-58.7179.7000110.4Q190 L192 K231 R236 L237 L238 I251 V272 V274Q190-I234 VanDerWaalsContact OE1-CD1 3.24Å; L192-I234 HydrophobicContact CD1-CG2 4.32Å; L192-I234 HydrophobicContact CD2-CD1 4.13Å; L192-I234 HydrophobicContact CD2-CG1 3.79Å; K231-I234 PolarHBondContact O-N 2.8Å; I234-R236 VanDerWaalsContact C-N 3.29Å; I234-R236 PolarHBondContact O-N 2.9Å; I234-L237 PolarHBondContact O-N 2.98Å; I234-L238 HydrophobicContact CG2-CD1 3.91Å; I234-L238 HydrophobicContact CG2-CG 4.38Å; I234-L238 VanDerWaalsContact O-CG 3.32Å; I234-L238 WeakPolarHBondContact O-CG 3.12Å; I234-L238 PolarHBondContact O-N 3.28Å; I234-I251 HydrophobicContact CD1-CD1 3.77Å; I234-I251 HydrophobicContact CD1-CG1 3.93Å; I234-I251 HydrophobicContact CD1-CG2 4.31Å; I234-V272 HydrophobicContact CD1-CB 4.35Å; I234-V272 HydrophobicContact CD1-CG1 3.82Å; I234-V274 HydrophobicContact CD1-CG2 4.22Å; I234-V274 HydrophobicContact CG2-CG1 4.42Å; I234-V274 HydrophobicContact CG2-CG2 4.04Å
235L95.8Very high93.2Very high50 Ų5042.2 Ų42.226%0.26220%0.196SC..Hα-helixtrans-63.1-37.2-178.3-68.2175.9000111.8K231 M232 Q239 V249K231-L235 WeakPolarHBondContact O-CG 3.09Å; K231-L235 PolarHBondContact O-N 2.81Å; M232-L235 PolarHBondContact O-N 3.02Å; L235-Q239 WeakPolarHBondContact O-CB 3.4Å; L235-Q239 WeakPolarHBondContact O-CG 3.42Å; L235-Q239 PolarHBondContact O-N 3.32Å; L235-V249 HydrophobicContact CD2-CG1 4.36Å
236R95.3Very high93.6Very high43 Ų4347.6 Ų47.616%0.16222%0.221CC..Hα-helixtrans-59.5-56.3173.8171.8-179.445.3-109.66110.9S26 A27 A218 E225 M232 A233 I234 L238 Q239 E240S26-R236 WeakPolarHBondContact OG-CD 3.39Å; S26-R236 PolarHBondContact OG-NE 2.82Å; A27-R236 WeakPolarHBondContact O-CD 3.48Å; A27-R236 PolarHBondContact O-NE 3.28Å; A218-R236 PolarHBondContact O-NH2 2.76Å; E225-R236 IonicContact OE1-CZ 3.38Å; E225-R236 VanDerWaalsContact OE1-CZ 3.24Å; E225-R236 IonicContact OE1-NH1 3.32Å; E225-R236 PolarHBondContact OE1-NH1 3.1Å; E225-R236 IonicContact OE1-NH2 3.28Å; E225-R236 PolarHBondContact OE1-NH2 3.44Å; E225-R236 IonicContact OE2-NH1 3.04Å; E225-R236 IonicContact OE2-NH2 3.13Å; M232-R236 WeakPolarHBondContact O-CB 3.15Å; M232-R236 PolarHBondContact O-N 2.89Å; A233-R236 PolarHBondContact O-N 3.41Å; I234-R236 VanDerWaalsContact C-N 3.29Å; I234-R236 PolarHBondContact O-N 2.9Å; R236-L238 VanDerWaalsContact C-N 3.26Å; R236-L238 PolarHBondContact O-N 2.96Å; R236-Q239 WeakPolarHBondContact O-CB 3.27Å; R236-Q239 PolarHBondContact O-N 2.99Å; R236-E240 VanDerWaalsContact CG-OE1 3.28Å; R236-E240 WeakPolarHBondContact CG-OE1 3.31Å; R236-E240 PolarHBondContact O-N 2.63Å; R236-E240 VanDerWaalsContact O-N 3.1Å
237L96.6Very high94Very high0 Ų045.8 Ų45.80%021%0.212CC..Hα-helixtrans-56.2-44-179.4-175.9152.8000111.1D25 L192 L205 P215 A233 I234 Q239 E240 C241 F295D25-L237 HydrophobicContact CB-CD1 4.2Å; L192-L237 HydrophobicContact CD1-CD1 4.1Å; L192-L237 HydrophobicContact CD1-CD2 4.07Å; L192-L237 HydrophobicContact CD1-CG 4.47Å; L205-L237 HydrophobicContact CD2-CD2 4.16Å; P215-L237 HydrophobicContact CB-CD1 3.9Å; P215-L237 HydrophobicContact CB-CD2 4.33Å; A233-L237 PolarHBondContact O-N 3.13Å; I234-L237 PolarHBondContact O-N 2.98Å; L237-Q239 VanDerWaalsContact C-N 3.31Å; L237-Q239 PolarHBondContact O-N 3.08Å; L237-E240 WeakPolarHBondContact O-CB 3.26Å; L237-E240 PolarHBondContact O-N 3.45Å; L237-C241 PolarHBondContact O-N 2.77Å; L237-C241 PolarHBondContact O-SG 3.36Å; L237-F295 HydrophobicContact CD2-CE1 4.32Å; L237-F295 HydrophobicContact CD2-CZ 4.39Å; L237-F295 HydrophobicContact CG-CZ 4.3Å
238L97.8Very high94.3Very high0 Ų041.2 Ų41.20%020%0.202CC..Hα-helixtrans-66.7-29.7178.2-64.4177.7000113V194 L205 I234 R236 L242 L244 V249 V274V194-L238 HydrophobicContact CG1-CD2 3.9Å; V194-L238 HydrophobicContact CG2-CD2 4.03Å; L205-L238 HydrophobicContact CD2-CD2 4.14Å; I234-L238 HydrophobicContact CG2-CD1 3.91Å; I234-L238 HydrophobicContact CG2-CG 4.38Å; I234-L238 VanDerWaalsContact O-CG 3.32Å; I234-L238 WeakPolarHBondContact O-CG 3.12Å; I234-L238 PolarHBondContact O-N 3.28Å; R236-L238 VanDerWaalsContact C-N 3.26Å; R236-L238 PolarHBondContact O-N 2.96Å; L238-L242 HydrophobicContact CD2-CD1 4.15Å; L238-L242 WeakPolarHBondContact O-CA 3.35Å; L238-L242 VanDerWaalsContact O-CB 3.24Å; L238-L242 WeakPolarHBondContact O-CB 3.38Å; L238-L242 PolarHBondContact O-N 2.86Å; L238-L244 HydrophobicContact CB-CD1 4.38Å; L238-L244 HydrophobicContact CB-CD2 4.07Å; L238-V249 HydrophobicContact CD1-CB 4.43Å; L238-V249 HydrophobicContact CD1-CG1 3.53Å; L238-V249 HydrophobicContact CD1-CG2 3.99Å; L238-V274 HydrophobicContact CD1-CG1 4.32Å
239Q96.1Very high94.6Very high117 Ų11742.6 Ų42.655%0.54721%0.209SC..Hα-helixtrans-72.2-29.2174.2-75.6172.35.200113L235 R236 L237 L244L235-Q239 WeakPolarHBondContact O-CB 3.4Å; L235-Q239 WeakPolarHBondContact O-CG 3.42Å; L235-Q239 PolarHBondContact O-N 3.32Å; R236-Q239 WeakPolarHBondContact O-CB 3.27Å; R236-Q239 PolarHBondContact O-N 2.99Å; L237-Q239 VanDerWaalsContact C-N 3.31Å; L237-Q239 PolarHBondContact O-N 3.08Å; Q239-L244 HydrophobicContact CG-CD1 3.4Å; Q239-L244 VanDerWaalsContact CG-CD1 3.4Å; Q239-L244 HydrophobicContact CG-CG 3.96Å
240E95.1Very high94.7Very high89 Ų8947.1 Ų47.142%0.41623%0.23SC..Hα-helixtrans-67.8-39.4175.7-67.1166.2-16300111S26 R236 L237S26-E240 WeakPolarHBondContact CB-OE2 3.32Å; S26-E240 PolarHBondContact OG-OE1 2.89Å; S26-E240 PolarHBondContact OG-OE2 3.39Å; R236-E240 VanDerWaalsContact CG-OE1 3.28Å; R236-E240 WeakPolarHBondContact CG-OE1 3.31Å; R236-E240 PolarHBondContact O-N 2.63Å; R236-E240 VanDerWaalsContact O-N 3.1Å; L237-E240 WeakPolarHBondContact O-CB 3.26Å; L237-E240 PolarHBondContact O-N 3.45Å
241C96.4Very high94.9Very high0 Ų050 Ų500%025%0.245CC..Hα-helixtrans-105.9-14.9-174.370.60000115.3L237 I290 R291 F295L237-C241 PolarHBondContact O-N 2.77Å; L237-C241 PolarHBondContact O-SG 3.36Å; C241-I290 HydrophobicContact CB-CG2 4.46Å; C241-I290 CarbonylContact O-C 3.54Å; C241-I290 WeakPolarHBondContact O-CA 3.32Å; C241-R291 PolarHBondContact O-N 2.71Å; C241-F295 HydrophobicContact CB-CB 4.2Å; C241-F295 HydrophobicContact CB-CD2 3.4Å; C241-F295 VanDerWaalsContact CB-CD2 3.4Å; C241-F295 HydrophobicContact CB-CE2 3.91Å; C241-F295 HydrophobicContact CB-CG 3.88Å
242L96.6Very high94.9Very high1 Ų147.9 Ų47.91%0.00524%0.235CC..SBendtrans-131.2161.1-177.4-63.7171.8000113.5L238 L244 L247 V276 P288 I290 W297L238-L242 HydrophobicContact CD2-CD1 4.15Å; L238-L242 WeakPolarHBondContact O-CA 3.35Å; L238-L242 VanDerWaalsContact O-CB 3.24Å; L238-L242 WeakPolarHBondContact O-CB 3.38Å; L238-L242 PolarHBondContact O-N 2.86Å; L242-L244 HydrophobicContact CB-CD2 3.91Å; L242-L247 HydrophobicContact CB-CD1 4.16Å; L242-L247 HydrophobicContact CD1-CD1 4.24Å; L242-V276 HydrophobicContact CD1-CG1 4.36Å; L242-V276 HydrophobicContact CD1-CG2 4.43Å; L242-P288 HydrophobicContact CD2-CB 4.12Å; L242-P288 HydrophobicContact CD2-CG 3.92Å; L242-I290 HydrophobicContact CD2-CD1 3.7Å; L242-I290 HydrophobicContact CG-CD1 4.4Å; L242-W297 HydrophobicContact CD1-CZ2 4.2Å; L242-W297 HydrophobicContact CD2-CZ2 4.3Å
243T94.1Very high95Very high43 Ų4345.1 Ų45.126%0.26422%0.222SC..  trans-95.790.1173.8-57.50000110.3H245 R291T243-H245 VanDerWaalsContact C-N 3.34Å; T243-H245 WeakPolarHBondContact CG2-CE1 3.33Å; T243-H245 WeakPolarHBondContact CG2-ND1 3.38Å; T243-H245 PolarHBondContact O-N 3.14Å; T243-R291 VanDerWaalsContact OG1-CZ 3.25Å; T243-R291 PolarHBondContact OG1-NE 2.76Å; T243-R291 PolarHBondContact OG1-NH2 2.85Å
244L92.6Very high95.1Very high35 Ų3545.1 Ų45.118%0.18322%0.222CC..G310 helixtrans-70.8-16.6-166.6-60.6-164.9000116.7L238 Q239 L242 H246 L247 V249L238-L244 HydrophobicContact CB-CD1 4.38Å; L238-L244 HydrophobicContact CB-CD2 4.07Å; Q239-L244 HydrophobicContact CG-CD1 3.4Å; Q239-L244 VanDerWaalsContact CG-CD1 3.4Å; Q239-L244 HydrophobicContact CG-CG 3.96Å; L242-L244 HydrophobicContact CB-CD2 3.91Å; L244-H246 PolarHBondContact O-N 3.46Å; L244-H246 VanDerWaalsContact O-N 3.14Å; L244-L247 HydrophobicContact CD2-CD1 4.17Å; L244-L247 PolarHBondContact O-N 3.46Å; L244-V249 HydrophobicContact CD2-CG2 4.23Å
245H89.3Confident95.1Very high124 Ų12445.1 Ų45.157%0.57422%0.222SC*.G310 helixtrans-64.1-23.9-171.658.1-107.8000114.1T243 R279T243-H245 VanDerWaalsContact C-N 3.34Å; T243-H245 WeakPolarHBondContact CG2-CE1 3.33Å; T243-H245 WeakPolarHBondContact CG2-ND1 3.38Å; T243-H245 PolarHBondContact O-N 3.14Å; H245-R279 PolarHBondContact O-NE 3.4Å
246H89.7Confident95.2Very high120 Ų12042.8 Ų42.856%0.55621%0.21SC*.G310 helixtrans-102.15.9174.8-65.8-46.5000113.7L244 R279L244-H246 PolarHBondContact O-N 3.46Å; L244-H246 VanDerWaalsContact O-N 3.14Å; H246-R279 PolarHBondContact O-N 2.87Å
247L94.2Very high95.3Very high4 Ų440.8 Ų40.82%0.02120%0.203CC..EExtended strand (participates in β ladder)trans-111.9151.4-173.7-57.2176.6000111.5L242 L244 V276 A277 F278 R279 P288L242-L247 HydrophobicContact CB-CD1 4.16Å; L242-L247 HydrophobicContact CD1-CD1 4.24Å; L244-L247 HydrophobicContact CD2-CD1 4.17Å; L244-L247 PolarHBondContact O-N 3.46Å; L247-V276 HydrophobicContact CB-CG1 4.28Å; L247-V276 HydrophobicContact CD1-CG1 3.83Å; L247-V276 HydrophobicContact CD2-CG1 4.16Å; L247-V276 HydrophobicContact CG-CG1 4.31Å; L247-A277 CarbonylContact C-O 3.56Å; L247-A277 VanDerWaalsContact CA-O 3.28Å; L247-A277 WeakPolarHBondContact CA-O 3.23Å; L247-F278 HydrophobicContact CD2-CD1 3.57Å; L247-F278 HydrophobicContact CD2-CE1 3.75Å; L247-F278 HydrophobicContact CD2-CG 4.15Å; L247-F278 HydrophobicContact CD2-CZ 4.45Å; L247-R279 PolarHBondContact O-NE 3.08Å; L247-R279 PolarHBondContact O-NH2 3.39Å; L247-P288 HydrophobicContact CD1-CB 4.03Å; L247-P288 HydrophobicContact CD1-CG 4Å; L247-P288 HydrophobicContact CD2-CB 3.99Å; L247-P288 HydrophobicContact CD2-CG 4.09Å
248V94.8Very high95.3Very high67 Ų6740.9 Ų40.941%0.40620%0.203SC..EExtended strand (participates in β ladder)trans-105.4124.2163.7-177.70000106.3V276 A277 R279V248-V276 WeakPolarHBondContact O-CA 3.3Å; V248-A277 PolarHBondContact N-O 3.41Å; V248-A277 PolarHBondContact O-N 2.94Å; V248-R279 HydrophobicContact CG2-CB 4.45Å; V248-R279 HydrophobicContact CG2-CG 3.59Å
249V96.1Very high95.3Very high40 Ų4041 Ų4124%0.24220%0.203CC..EExtended strand (participates in β ladder)trans-110.8125.2173.8179.70000107.1L235 L238 L244 V274 T275 V276L235-V249 HydrophobicContact CD2-CG1 4.36Å; L238-V249 HydrophobicContact CD1-CB 4.43Å; L238-V249 HydrophobicContact CD1-CG1 3.53Å; L238-V249 HydrophobicContact CD1-CG2 3.99Å; L244-V249 HydrophobicContact CD2-CG2 4.23Å; V249-V274 HydrophobicContact CG1-CG1 3.71Å; V249-T275 WeakPolarHBondContact CA-O 3.36Å; V249-V276 HydrophobicContact CG2-CG2 4.43Å
250E95.6Very high95.3Very high95 Ų9536.8 Ų36.844%0.44418%0.184SC..EExtended strand (participates in β ladder)trans-126.4123.8177.2-171.5-169.2160.600109.1K252 V274 T275E250-K252 VanDerWaalsContact CD-CE 3.49Å; E250-K252 HydrophobicContact CG-CD 4.38Å; E250-K252 WeakPolarHBondContact OE1-CE 3.39Å; E250-K252 IonicContact OE1-NZ 2.72Å; E250-K252 PolarHBondContact OE1-NZ 3.15Å; E250-K252 WeakPolarHBondContact OE2-CE 3.33Å; E250-K252 IonicContact OE2-NZ 2.71Å; E250-K252 PolarHBondContact OE2-NZ 3.33Å; E250-V274 CarbonylContact O-C 3.53Å; E250-V274 WeakPolarHBondContact O-CA 3.22Å; E250-T275 WeakPolarHBondContact CB-OG1 3.25Å; E250-T275 PolarHBondContact N-O 2.8Å; E250-T275 PolarHBondContact O-N 3.16Å; E250-T275 PolarHBondContact O-OG1 3.09Å
251I95.8Very high95.2Very high64 Ų6432.6 Ų32.633%0.32817%0.166SC..EExtended strand (participates in β ladder)trans-88112.5174.8-61.6162.2000106.2K231 I234 V272 V274K231-I251 HydrophobicContact CB-CD1 3.5Å; I234-I251 HydrophobicContact CD1-CD1 3.77Å; I234-I251 HydrophobicContact CD1-CG1 3.93Å; I234-I251 HydrophobicContact CD1-CG2 4.31Å; I251-V272 HydrophobicContact CG2-CG1 3.63Å; I251-V274 HydrophobicContact CG1-CG2 4.43Å
252K95.7Very high95.1Very high53 Ų5337.9 Ų37.923%0.2319%0.185CC..EExtended strand (participates in β ladder)trans-77-42.1-174.8-64-67.2-179.2-178.70111.5E250 L273 T275 V318E250-K252 VanDerWaalsContact CD-CE 3.49Å; E250-K252 HydrophobicContact CG-CD 4.38Å; E250-K252 WeakPolarHBondContact OE1-CE 3.39Å; E250-K252 IonicContact OE1-NZ 2.72Å; E250-K252 PolarHBondContact OE1-NZ 3.15Å; E250-K252 WeakPolarHBondContact OE2-CE 3.33Å; E250-K252 IonicContact OE2-NZ 2.71Å; E250-K252 PolarHBondContact OE2-NZ 3.33Å; K252-L273 HydrophobicContact CB-CB 4.18Å; K252-L273 HydrophobicContact CB-CD2 4.08Å; K252-L273 HydrophobicContact CB-CG 4.09Å; K252-L273 HydrophobicContact CG-CD2 4.29Å; K252-L273 HydrophobicContact CG-CG 4.22Å; K252-L273 PolarHBondContact N-O 3.2Å; K252-T275 HydrophobicContact CD-CG2 4.39Å; K252-T275 VanDerWaalsContact CE-CG2 3.45Å; K252-T275 WeakPolarHBondContact CE-OG1 3.25Å; K252-T275 HydrophobicContact CG-CG2 4.06Å; K252-V318 HydrophobicContact CB-CG2 4.21Å; K252-V318 WeakPolarHBondContact O-CG2 3.39Å
253G95.8Very high94.8Very high2 Ų244.7 Ų44.72%0.02122%0.222CC..EExtended strand (participates in β ladder)trans147.9-164.6-176.900000111.9L273 V319G253-L273 PolarHBondContact O-N 2.93Å; G253-V319 CarbonylContact C-O 3.53Å; G253-V319 WeakPolarHBondContact CA-O 3.28Å
254L97.3Very high94.4Very high1 Ų149.1 Ų49.11%0.00524%0.239CC..EExtended strand (participates in β ladder)trans-93.6140.3-177.4-49.4-177.9000112.6V108 L270 N271 V272 V318 V319 V321V108-L254 HydrophobicContact CB-CD1 3.94Å; V108-L254 HydrophobicContact CG2-CD1 3.44Å; V108-L254 VanDerWaalsContact CG2-CD1 3.44Å; L254-L270 HydrophobicContact CD1-CD1 4.4Å; L254-L270 HydrophobicContact CD1-CD2 4.14Å; L254-L270 HydrophobicContact CD2-CB 3.84Å; L254-L270 HydrophobicContact CD2-CD1 4.29Å; L254-N271 CarbonylContact C-O 3.51Å; L254-N271 VanDerWaalsContact CA-O 3.24Å; L254-N271 WeakPolarHBondContact CA-O 3.48Å; L254-V272 HydrophobicContact CD2-CG2 3.81Å; L254-V318 WeakPolarHBondContact O-CA 3.32Å; L254-V318 WeakPolarHBondContact O-CB 3.39Å; L254-V319 HydrophobicContact CB-CB 4.19Å; L254-V319 PolarHBondContact N-O 2.85Å; L254-V319 PolarHBondContact O-N 2.95Å; L254-V321 HydrophobicContact CD1-CG2 3.85Å; L254-V321 HydrophobicContact CD2-CG2 3.48Å; L254-V321 VanDerWaalsContact CD2-CG2 3.48Å; L254-V321 HydrophobicContact CG-CG2 3.37Å
255L97.6Very high94.4Very high0 Ų048 Ų480%024%0.235CC..EExtended strand (participates in β ladder)trans-92-27.4169.4-63.4170.2000111.7V13 L14 G16 I178 V193 N271 L273 R312 V318V13-L255 HydrophobicContact CG1-CB 4.33Å; V13-L255 HydrophobicContact CG1-CD1 3.76Å; V13-L255 WeakPolarHBondContact O-CB 3.47Å; L14-L255 HydrophobicContact CD2-CD1 4.15Å; L14-L255 HydrophobicContact CD2-CD2 4.42Å; G16-L255 WeakPolarHBondContact CA-O 3.28Å; I178-L255 VanDerWaalsContact CD1-O 3.27Å; I178-L255 WeakPolarHBondContact CD1-O 3.36Å; V193-L255 HydrophobicContact CB-CD1 4.12Å; V193-L255 HydrophobicContact CG2-CD1 3.78Å; L255-N271 HydrophobicContact CB-CB 4Å; L255-N271 PolarHBondContact N-O 2.92Å; L255-L273 HydrophobicContact CD1-CB 4.09Å; L255-L273 HydrophobicContact CD2-CB 4.29Å; L255-L273 HydrophobicContact CD2-CD2 4.42Å; L255-L273 HydrophobicContact CG-CB 4.05Å; L255-R312 HydrophobicContact CD2-CB 4.15Å; L255-R312 HydrophobicContact CD2-CG 3.98Å; L255-R312 PolarHBondContact O-NH2 2.91Å; L255-V318 HydrophobicContact CD2-CG1 3.9Å
256G97.4Very high94.7Very high0 Ų042.7 Ų42.70%021%0.21CC..EExtended strand (participates in β ladder)trans-180173.1-175.300000111.8N271G256-N271 WeakPolarHBondContact O-CB 3.31Å; G256-N271 PolarHBondContact O-N 3.05Å
257L97.1Very high95.1Very high2 Ų237 Ų371%0.0118%0.184CC..EExtended strand (participates in β ladder)trans-144.7149.7175.481.197.2000110.9I84 L105 F118 P180 Q181 H259 C269 L270I84-L257 HydrophobicContact CD1-CD1 3.48Å; I84-L257 VanDerWaalsContact CD1-CD1 3.48Å; L105-L257 HydrophobicContact CD1-CD2 4.29Å; L105-L257 HydrophobicContact CD2-CD2 3.35Å; L105-L257 HydrophobicContact CG-CD2 4.38Å; F118-L257 HydrophobicContact CD1-CD2 4.23Å; F118-L257 HydrophobicContact CE1-CD1 4.49Å; F118-L257 HydrophobicContact CE1-CD2 4.38Å; P180-L257 WeakPolarHBondContact CA-O 3.07Å; P180-L257 HydrophobicContact CB-CD1 3.72Å; P180-L257 HydrophobicContact CB-CG 4.2Å; P180-L257 HydrophobicContact CG-CD1 3.93Å; P180-L257 HydrophobicContact CG-CD2 4.18Å; P180-L257 HydrophobicContact CG-CG 4.22Å; Q181-L257 PolarHBondContact N-O 2.8Å; L257-H259 HydrophobicContact CD1-CB 4.49Å; L257-C269 CarbonylContact C-O 3.54Å; L257-C269 WeakPolarHBondContact CA-O 3.33Å; L257-L270 HydrophobicContact CB-CD2 3.8Å
258Q96.6Very high95.2Very high2 Ų236.8 Ų36.81%0.00918%0.183CC..EExtended strand (participates in β ladder)trans-122.2141.2175.287.6-165.222.200110.7P19 Q181 L183 R191 I268 C269P19-Q258 PolarHBondContact O-OE1 3.3Å; Q181-Q258 HydrophobicContact CB-CB 4.48Å; Q181-Q258 VanDerWaalsContact O-CA 3.26Å; Q181-Q258 WeakPolarHBondContact O-CA 3.34Å; L183-Q258 HydrophobicContact CB-CB 4.32Å; R191-Q258 VanDerWaalsContact NH2-OE1 3.09Å; Q258-I268 WeakPolarHBondContact O-CA 3.49Å; Q258-C269 HydrophobicContact CG-CB 3.48Å; Q258-C269 VanDerWaalsContact CG-CB 3.48Å; Q258-C269 PolarHBondContact N-O 2.9Å; Q258-C269 PolarHBondContact O-N 3.25Å; Q258-C269 VanDerWaalsContact O-N 3.13Å
259H97.3Very high95.4Very high2 Ų233.6 Ų33.61%0.00916%0.163CC..  trans-163.8146.3175.6176.470.4000109.9M78 I84 Q181 E182 L183 L257 G261 G267 I268M78-H259 VanDerWaalsContact CE-NE2 3.33Å; M78-H259 WeakPolarHBondContact CE-NE2 3.25Å; I84-H259 HydrophobicContact CD1-CB 3.51Å; I84-H259 HydrophobicContact CG1-CB 4.13Å; Q181-H259 PolarHBondContact O-N 2.71Å; E182-H259 WeakPolarHBondContact CA-O 3.48Å; L183-H259 CarbonylContact O-C 3.56Å; L257-H259 HydrophobicContact CD1-CB 4.49Å; H259-G261 PolarHBondContact CE1-N 2.82Å; H259-G261 WeakPolarHBondContact NE2-CA 3.24Å; H259-G261 PolarHBondContact NE2-N 2.89Å; H259-G267 PolarHBondContact ND1-O 3.13Å; H259-I268 HydrophobicContact CB-CG2 4.14Å
260L96.3Very high95.5Very high28 Ų2831.7 Ų31.715%0.14715%0.152CC..  trans-119.1-48.4173.9-174.964.4000113.1T83 E182 L183 P184 R262T83-L260 WeakPolarHBondContact CG2-O 3.17Å; E182-L260 HydrophobicContact CB-CD1 4.17Å; L183-L260 PolarHBondContact O-N 3.19Å; P184-L260 HydrophobicContact CB-CD2 4.09Å; L260-R262 HydrophobicContact CD2-CB 4.28Å; L260-R262 HydrophobicContact CG-CB 4.01Å; L260-R262 HydrophobicContact CG-CG 4.47Å; L260-R262 PolarHBondContact O-N 3.17Å
261G93.6Very high95.6Very high2 Ų227.3 Ų27.32%0.02113%0.131CC..  trans74.2-1.4-179.400000114.9G81 H259 S265G81-G261 CarbonylContact C-O 3.58Å; G81-G261 WeakPolarHBondContact CA-O 3.48Å; G81-G261 PolarHBondContact N-O 3.33Å; G81-G261 VanDerWaalsContact N-O 3.08Å; H259-G261 PolarHBondContact CE1-N 2.82Å; H259-G261 WeakPolarHBondContact NE2-CA 3.24Å; H259-G261 PolarHBondContact NE2-N 2.89Å; G261-S265 WeakPolarHBondContact CA-O 3.33Å; G261-S265 PolarHBondContact N-O 2.82Å
262R93Very high95.7Very high111 Ų11124.3 Ų24.342%0.41912%0.116SC..SBendtrans-109.2165.4176.6-57.3179.6-179.8-141-0.2110.9E86 L260 H264 S265E86-R262 VanDerWaalsContact CD-NH2 3.31Å; E86-R262 IonicContact OE1-CZ 3.39Å; E86-R262 IonicContact OE1-NH2 3.24Å; E86-R262 PolarHBondContact OE1-NH2 2.72Å; E86-R262 IonicContact OE2-NH2 2.76Å; E86-R262 PolarHBondContact OE2-NH2 2.92Å; E86-R262 VanDerWaalsContact OE2-NH2 3.13Å; L260-R262 HydrophobicContact CD2-CB 4.28Å; L260-R262 HydrophobicContact CG-CB 4.01Å; L260-R262 HydrophobicContact CG-CG 4.47Å; L260-R262 PolarHBondContact O-N 3.17Å; R262-H264 PolarHBondContact O-N 2.91Å; R262-S265 WeakPolarHBondContact O-CB 3.46Å; R262-S265 PolarHBondContact O-N 2.62Å
263D90.1Very high95.8Very high143 Ų14321.8 Ų21.877%0.76511%0.105SC*.THydrogen-bonded Turntrans51.232.7178.4-58.4-35.9000114.1S265D263-S265 VanDerWaalsContact C-N 3.29Å; D263-S265 PolarHBondContact O-N 3.05Å
264H87.2Confident95.9Very high137 Ų13721.7 Ų21.763%0.63410%0.104SC*.THydrogen-bonded Turntrans61.634.5-175.9-50.4-65.6000113.4R37 R262R37-H264 VanDerWaalsContact NH1-C 3.3Å; R37-H264 PolarHBondContact NH1-O 2.69Å; R37-H264 PolarHBondContact NH2-O 2.78Å; R262-H264 PolarHBondContact O-N 2.91Å
265S93.1Very high95.9Very high12 Ų1222.7 Ų22.78%0.08411%0.11CC..  trans-109.571.2171.6-70.40000111.1P184 C185 D186 G261 R262 D263 G267P184-S265 WeakPolarHBondContact CB-OG 3.4Å; C185-S265 CarbonylContact O-C 3.55Å; C185-S265 VanDerWaalsContact O-C 3.26Å; C185-S265 WeakPolarHBondContact O-CA 3.37Å; C185-S265 WeakPolarHBondContact O-CB 3.29Å; D186-S265 PolarHBondContact OD1-OG 2.97Å; G261-S265 WeakPolarHBondContact CA-O 3.33Å; G261-S265 PolarHBondContact N-O 2.82Å; R262-S265 WeakPolarHBondContact O-CB 3.46Å; R262-S265 PolarHBondContact O-N 2.62Å; D263-S265 VanDerWaalsContact C-N 3.29Å; D263-S265 PolarHBondContact O-N 3.05Å; S265-G267 PolarHBondContact O-N 3.33Å
266D95.6Very high95.8Very high11 Ų1122.9 Ų22.96%0.05911%0.111CC..  trans-82.11.3-179.4-70.2-23.6000113V36 R37 L38 Y44V36-D266 HydrophobicContact CG2-CB 4.12Å; V36-D266 VanDerWaalsContact CG2-O 3.31Å; V36-D266 WeakPolarHBondContact CG2-O 3.46Å; R37-D266 VanDerWaalsContact CA-OD2 3.27Å; R37-D266 WeakPolarHBondContact CA-OD2 3.24Å; R37-D266 IonicContact NH1-OD2 3.66Å; L38-D266 HydrophobicContact CB-CB 4.49Å; L38-D266 HydrophobicContact CG-CB 3.89Å; L38-D266 PolarHBondContact N-OD2 3.41Å; Y44-D266 WeakPolarHBondContact CE2-O 3.25Å; Y44-D266 PolarHBondContact OH-O 3.17Å
267G96.4Very high95.7Very high0 Ų025 Ų250%013%0.129CC..  trans-70.1167.2178.500000113.6V36 C185 L187 H259 S265V36-G267 VanDerWaalsContact CG2-N 3.26Å; C185-G267 WeakPolarHBondContact O-CA 3.38Å; C185-G267 PolarHBondContact O-N 2.9Å; L187-G267 CarbonylContact O-C 3.56Å; L187-G267 WeakPolarHBondContact O-CA 3.15Å; H259-G267 PolarHBondContact ND1-O 3.13Å; S265-G267 PolarHBondContact O-N 3.33Å
268I97.2Very high95.5Very high0 Ų027.2 Ų27.20%014%0.139CC..EExtended strand (participates in β ladder)trans-134.8139.1171.862.9176.8000108.6Y44 V116 F118 L187 V188 C189 Q258 H259 L270Y44-I268 HydrophobicContact CD2-CG2 4.34Å; Y44-I268 HydrophobicContact CE1-CD1 4.27Å; Y44-I268 HydrophobicContact CE2-CG2 3.64Å; V116-I268 HydrophobicContact CG1-CD1 4.41Å; V116-I268 HydrophobicContact CG2-CD1 4.23Å; F118-I268 HydrophobicContact CZ-CD1 4.06Å; F118-I268 HydrophobicContact CZ-CG2 4.24Å; L187-I268 PolarHBondContact O-N 2.95Å; V188-I268 HydrophobicContact CB-CG1 4.39Å; V188-I268 HydrophobicContact CG1-CD1 4.21Å; V188-I268 HydrophobicContact CG1-CG1 3.98Å; V188-I268 HydrophobicContact CG2-CG1 4.27Å; C189-I268 PolarHBondContact N-O 3.27Å; Q258-I268 WeakPolarHBondContact O-CA 3.49Å; H259-I268 HydrophobicContact CB-CG2 4.14Å; I268-L270 HydrophobicContact CD1-CD2 4.34Å
269C97.9Very high95Very high0 Ų034.7 Ų34.70%017%0.167CC..EExtended strand (participates in β ladder)trans-113126.8162.5-168.50000109.3V21 C189 R191 L257 Q258V21-C269 HydrophobicContact CG2-CB 3.88Å; C189-C269 VanDerWaalsContact O-CA 3.32Å; C189-C269 WeakPolarHBondContact O-CA 3.47Å; R191-C269 PolarHBondContact N-SG 2.92Å; L257-C269 CarbonylContact C-O 3.54Å; L257-C269 WeakPolarHBondContact CA-O 3.33Å; Q258-C269 HydrophobicContact CG-CB 3.48Å; Q258-C269 VanDerWaalsContact CG-CB 3.48Å; Q258-C269 PolarHBondContact N-O 2.9Å; Q258-C269 PolarHBondContact O-N 3.25Å; Q258-C269 VanDerWaalsContact O-N 3.13Å
270L98.3Very high94.3Very high1 Ų139 Ų391%0.00520%0.197CC..EExtended strand (participates in β ladder)trans-98.7126.2173.5-54-177.7000108.9C189 Q190 R191 M230 L254 L257 I268 V272C189-L270 PolarHBondContact O-N 3.11Å; Q190-L270 CarbonylContact C-O 3.59Å; Q190-L270 VanDerWaalsContact CA-O 3.27Å; Q190-L270 WeakPolarHBondContact CA-O 3.4Å; Q190-L270 HydrophobicContact CG-CB 4.29Å; R191-L270 PolarHBondContact N-O 3.05Å; M230-L270 HydrophobicContact CE-CD1 3.67Å; M230-L270 HydrophobicContact SD-CD1 3.57Å; M230-L270 VanDerWaalsContact SD-CD1 3.57Å; L254-L270 HydrophobicContact CD1-CD1 4.4Å; L254-L270 HydrophobicContact CD1-CD2 4.14Å; L254-L270 HydrophobicContact CD2-CB 3.84Å; L254-L270 HydrophobicContact CD2-CD1 4.29Å; L257-L270 HydrophobicContact CB-CD2 3.8Å; I268-L270 HydrophobicContact CD1-CD2 4.34Å; L270-V272 HydrophobicContact CB-CG2 4.11Å; L270-V272 PolarHBondContact O-N 3.27Å
271N98.4Very high92.5Very high2 Ų243.8 Ų43.81%0.01123%0.23CC..EExtended strand (participates in β ladder)trans-80.1112.7169.4-68.6-27.8000108.5V13 Q17 R191 L254 L255 G256V13-N271 HydrophobicContact CG1-CB 3.89Å; Q17-N271 PolarHBondContact O-ND2 3.06Å; R191-N271 WeakPolarHBondContact CD-OD1 3.43Å; R191-N271 PolarHBondContact NH1-OD1 3.3Å; R191-N271 CarbonylContact O-C 3.54Å; R191-N271 WeakPolarHBondContact O-CA 3.37Å; L254-N271 CarbonylContact C-O 3.51Å; L254-N271 VanDerWaalsContact CA-O 3.24Å; L254-N271 WeakPolarHBondContact CA-O 3.48Å; L255-N271 HydrophobicContact CB-CB 4Å; L255-N271 PolarHBondContact N-O 2.92Å; G256-N271 WeakPolarHBondContact O-CB 3.31Å; G256-N271 PolarHBondContact O-N 3.05Å
272V98.1Very high91.2Very high2 Ų246.1 Ų46.11%0.01225%0.254CS..EExtended strand (participates in β ladder)trans-113.1127.7-172.9-168.70000110.8Q190 R191 L192 V193 I234 I251 L254 L270 V274Q190-V272 HydrophobicContact CB-CG2 3.9Å; Q190-V272 HydrophobicContact CG-CG2 3.84Å; R191-V272 PolarHBondContact O-N 2.83Å; L192-V272 HydrophobicContact CD2-CB 4.11Å; V193-V272 PolarHBondContact N-O 3.29Å; I234-V272 HydrophobicContact CD1-CB 4.35Å; I234-V272 HydrophobicContact CD1-CG1 3.82Å; I251-V272 HydrophobicContact CG2-CG1 3.63Å; L254-V272 HydrophobicContact CD2-CG2 3.81Å; L270-V272 HydrophobicContact CB-CG2 4.11Å; L270-V272 PolarHBondContact O-N 3.27Å; V272-V274 HydrophobicContact CG1-CG2 4.01Å
273L98.1Very high89.8Confident0 Ų047.3 Ų47.30%027%0.267CS..EExtended strand (participates in β ladder)trans-87.2126170.5-177.263.2000109.7V193 T195 K252 G253 L255 R312 L313 V318V193-L273 HydrophobicContact CB-CD1 4.12Å; V193-L273 HydrophobicContact CG1-CD1 3.94Å; T195-L273 HydrophobicContact CG2-CD1 4.01Å; K252-L273 HydrophobicContact CB-CB 4.18Å; K252-L273 HydrophobicContact CB-CD2 4.08Å; K252-L273 HydrophobicContact CB-CG 4.09Å; K252-L273 HydrophobicContact CG-CD2 4.29Å; K252-L273 HydrophobicContact CG-CG 4.22Å; K252-L273 PolarHBondContact N-O 3.2Å; G253-L273 PolarHBondContact O-N 2.93Å; L255-L273 HydrophobicContact CD1-CB 4.09Å; L255-L273 HydrophobicContact CD2-CB 4.29Å; L255-L273 HydrophobicContact CD2-CD2 4.42Å; L255-L273 HydrophobicContact CG-CB 4.05Å; L273-R312 HydrophobicContact CD2-CB 4.13Å; L273-R312 WeakPolarHBondContact CD2-O 3.4Å; L273-L313 HydrophobicContact CD1-CD2 4.12Å; L273-L313 HydrophobicContact CD2-CD2 3.94Å; L273-L313 HydrophobicContact CD2-CG 4.37Å; L273-L313 HydrophobicContact CG-CD2 4.18Å; L273-V318 HydrophobicContact CB-CG1 4.31Å; L273-V318 HydrophobicContact CD2-CG1 3.88Å
274V98Very high89.1Confident0 Ų044.6 Ų44.60%025%0.25CC..EExtended strand (participates in β ladder)trans-128.7138.5-179.6-174.60000108.9V193 V194 T195 I234 L238 V249 E250 I251 V272V193-V274 PolarHBondContact O-N 3.17Å; V194-V274 CarbonylContact C-O 3.58Å; V194-V274 WeakPolarHBondContact CA-O 3.42Å; V194-V274 HydrophobicContact CG1-CB 4.43Å; V194-V274 HydrophobicContact CG1-CG1 4.42Å; V194-V274 HydrophobicContact CG2-CB 4.31Å; T195-V274 PolarHBondContact N-O 2.62Å; T195-V274 PolarHBondContact OG1-O 3.32Å; I234-V274 HydrophobicContact CD1-CG2 4.22Å; I234-V274 HydrophobicContact CG2-CG1 4.42Å; I234-V274 HydrophobicContact CG2-CG2 4.04Å; L238-V274 HydrophobicContact CD1-CG1 4.32Å; V249-V274 HydrophobicContact CG1-CG1 3.71Å; E250-V274 CarbonylContact O-C 3.53Å; E250-V274 WeakPolarHBondContact O-CA 3.22Å; I251-V274 HydrophobicContact CG1-CG2 4.43Å; V272-V274 HydrophobicContact CG1-CG2 4.01Å
275T96.9Very high88.9Confident22 Ų2242.9 Ų42.914%0.13525%0.246CC..EExtended strand (participates in β ladder)trans-110.9138.5170.755.30000110.7T195 V249 E250 K252 L313T195-T275 WeakPolarHBondContact OG1-CG2 3.45Å; V249-T275 WeakPolarHBondContact CA-O 3.36Å; E250-T275 WeakPolarHBondContact CB-OG1 3.25Å; E250-T275 PolarHBondContact N-O 2.8Å; E250-T275 PolarHBondContact O-N 3.16Å; E250-T275 PolarHBondContact O-OG1 3.09Å; K252-T275 HydrophobicContact CD-CG2 4.39Å; K252-T275 VanDerWaalsContact CE-CG2 3.45Å; K252-T275 WeakPolarHBondContact CE-OG1 3.25Å; K252-T275 HydrophobicContact CG-CG2 4.06Å; T275-L313 HydrophobicContact CG2-CD2 3.26Å
276V96Very high88.9Confident3 Ų349.2 Ų49.22%0.01827%0.274CS..EExtended strand (participates in β ladder)trans-117.3129.9171.6178.70000108V194 T195 F196 L242 L247 V248 V249 P288V194-V276 HydrophobicContact CG1-CG2 3.52Å; T195-V276 PolarHBondContact O-N 3.37Å; F196-V276 VanDerWaalsContact CD2-O 3.3Å; F196-V276 WeakPolarHBondContact CD2-O 3.25Å; L242-V276 HydrophobicContact CD1-CG1 4.36Å; L242-V276 HydrophobicContact CD1-CG2 4.43Å; L247-V276 HydrophobicContact CB-CG1 4.28Å; L247-V276 HydrophobicContact CD1-CG1 3.83Å; L247-V276 HydrophobicContact CD2-CG1 4.16Å; L247-V276 HydrophobicContact CG-CG1 4.31Å; V248-V276 WeakPolarHBondContact O-CA 3.3Å; V249-V276 HydrophobicContact CG2-CG2 4.43Å; V276-P288 HydrophobicContact CG1-CG 4.06Å
277A94Very high88.8Confident46 Ų4649.6 Ų49.638%0.3828%0.277SS..EExtended strand (participates in β ladder)trans-139.1156.3176.100000110.7L247 V248L247-A277 CarbonylContact C-O 3.56Å; L247-A277 VanDerWaalsContact CA-O 3.28Å; L247-A277 WeakPolarHBondContact CA-O 3.23Å; V248-A277 PolarHBondContact N-O 3.41Å; V248-A277 PolarHBondContact O-N 2.94Å
278F92.6Very high88.8Confident48 Ų4850 Ų5021%0.21128%0.28CS..EExtended strand (participates in β ladder)trans-74.1141.2171.7-67.9-80.3000110.9F196 L247 S280 Q284 P288F196-F278 AromaticContact CE2-CD2 3.67Å; F196-F278 HydrophobicContact CE2-CD2 3.67Å; F196-F278 AromaticContact CE2-CE2 3.56Å; F196-F278 HydrophobicContact CE2-CE2 3.56Å; F196-F278 HydrophobicContact CZ-CD2 4.1Å; F196-F278 AromaticContact CZ-CE2 3.84Å; F196-F278 HydrophobicContact CZ-CE2 3.84Å; L247-F278 HydrophobicContact CD2-CD1 3.57Å; L247-F278 HydrophobicContact CD2-CE1 3.75Å; L247-F278 HydrophobicContact CD2-CG 4.15Å; L247-F278 HydrophobicContact CD2-CZ 4.45Å; F278-S280 VanDerWaalsContact C-N 3.3Å; F278-S280 PolarHBondContact O-N 3.34Å; F278-Q284 HydrophobicContact CD2-CB 3.85Å; F278-Q284 HydrophobicContact CD2-CG 3.72Å; F278-Q284 HydrophobicContact CE2-CB 3.83Å; F278-Q284 HydrophobicContact CE2-CG 3.93Å; F278-Q284 HydrophobicContact CG-CG 4.38Å; F278-P288 HydrophobicContact CE1-CB 4.01Å; F278-P288 HydrophobicContact CZ-CB 3.73Å; F278-P288 HydrophobicContact CZ-CG 4.39Å
279R87.8Confident88.7Confident159 Ų15959.1 Ų59.160%0.632%0.319SS*.SBendtrans-63.8-36.1176.1-75.4177.3-177.1-99.4-3.2112.7H245 H246 L247 V248H245-R279 PolarHBondContact O-NE 3.4Å; H246-R279 PolarHBondContact O-N 2.87Å; L247-R279 PolarHBondContact O-NE 3.08Å; L247-R279 PolarHBondContact O-NH2 3.39Å; V248-R279 HydrophobicContact CG2-CB 4.45Å; V248-R279 HydrophobicContact CG2-CG 3.59Å
280S80.9Confident88.7Confident91 Ų9161.1 Ų61.164%0.63633%0.329SS*.SBendtrans-88.8117.3176.4-61.50000108.6F278 G282F278-S280 VanDerWaalsContact C-N 3.3Å; F278-S280 PolarHBondContact O-N 3.34Å; S280-G282 PolarHBondContact O-N 2.96Å
281P60.4Low88.5Confident129 Ų12966.8 Ų66.884%0.83835%0.351SS*.  trans-76.433.2-169.931.9-36.9000114.1
282G65.1Low88.3Confident51 Ų5170 Ų7053%0.52638%0.384SS..  trans-63.8139.9166.200000109.3S280 Q284S280-G282 PolarHBondContact O-N 2.96Å; G282-Q284 PolarHBondContact O-N 3.07Å
283I63Low88.1Confident137 Ų13778.2 Ų78.270%0.70342%0.422SS*.  trans-60.5107.6172.3-59172.6000106.6T199T199-I283 HydrophobicContact CG2-CG2 4.23Å
284Q75.6Confident88Confident85 Ų8582.6 Ų82.640%0.39745%0.446SS..  trans-105.7116.2171.1-64.4-140.617.700107.7F196 S198 F278 G282 E286F196-Q284 HydrophobicContact CZ-CB 4.21Å; S198-Q284 WeakPolarHBondContact CB-O 3.49Å; F278-Q284 HydrophobicContact CD2-CB 3.85Å; F278-Q284 HydrophobicContact CD2-CG 3.72Å; F278-Q284 HydrophobicContact CE2-CB 3.83Å; F278-Q284 HydrophobicContact CE2-CG 3.93Å; F278-Q284 HydrophobicContact CG-CG 4.38Å; G282-Q284 PolarHBondContact O-N 3.07Å; Q284-E286 VanDerWaalsContact C-N 3.26Å
285D84.4Confident88Confident102 Ų10283.3 Ų83.355%0.54545%0.449SS..SBendtrans-78.7-17.5178-65.8-41.2000112.1
286E91.4Very high88Confident144 Ų14486 Ų8667%0.67346%0.459SS*.SBendtrans-114.7146.4-178.2-67.4-173.7177.600112.3F196 Q284F196-E286 WeakPolarHBondContact CE1-O 3.49Å; F196-E286 VanDerWaalsContact CZ-O 3.29Å; F196-E286 WeakPolarHBondContact CZ-O 3.47Å; Q284-E286 VanDerWaalsContact C-N 3.26Å
287P95.1Very high88.1Confident20 Ų2087 Ų8713%0.1346%0.462CS..PPolyproline II helixtrans-72.2162.617732.4-36.8000112.1F196 W203 W297F196-P287 HydrophobicContact CB-CB 3.98Å; F196-P287 HydrophobicContact CD1-CB 3.65Å; F196-P287 HydrophobicContact CD2-CB 4.44Å; F196-P287 HydrophobicContact CE1-CB 4.25Å; F196-P287 HydrophobicContact CG-CB 3.76Å; W203-P287 HydrophobicContact CD2-CG 3.93Å; W203-P287 HydrophobicContact CE3-CG 4.11Å; W203-P287 HydrophobicContact CG-CB 4.46Å; W203-P287 HydrophobicContact CG-CG 4.12Å; P287-W297 HydrophobicContact CB-CB 4.33Å; P287-W297 HydrophobicContact CB-CD2 3.64Å; P287-W297 HydrophobicContact CB-CE3 4.3Å; P287-W297 HydrophobicContact CB-CG 3.63Å; P287-W297 HydrophobicContact CB-CZ2 4.31Å; P287-W297 HydrophobicContact CG-CB 3.64Å; P287-W297 VanDerWaalsContact CG-CD1 3.44Å; P287-W297 HydrophobicContact CG-CD2 3.97Å; P287-W297 HydrophobicContact CG-CG 3.4Å; P287-W297 VanDerWaalsContact CG-CG 3.4Å
288P95.1Very high88.3Confident9 Ų986 Ų866%0.05845%0.449CS..PPolyproline II helixtrans-60.4141.6177.524.8-34.1000112.5L242 L247 V276 F278 I290 W297L242-P288 HydrophobicContact CD2-CB 4.12Å; L242-P288 HydrophobicContact CD2-CG 3.92Å; L247-P288 HydrophobicContact CD1-CB 4.03Å; L247-P288 HydrophobicContact CD1-CG 4Å; L247-P288 HydrophobicContact CD2-CB 3.99Å; L247-P288 HydrophobicContact CD2-CG 4.09Å; V276-P288 HydrophobicContact CG1-CG 4.06Å; F278-P288 HydrophobicContact CE1-CB 4.01Å; F278-P288 HydrophobicContact CZ-CB 3.73Å; F278-P288 HydrophobicContact CZ-CG 4.39Å; P288-I290 PolarHBondContact O-N 2.78Å; P288-W297 HydrophobicContact CG-CZ2 3.97Å; P288-W297 PolarHBondContact O-NE1 3.19Å
289K95.8Very high88.5Confident191 Ų19188.4 Ų88.483%0.8346%0.459SS*.PPolyproline II helixtrans-58132.5180-66.3-172.8178.2-1760111.7
290I97.1Very high88.8Confident41 Ų4180.8 Ų80.821%0.2143%0.43CS..PPolyproline II helixtrans-78.1143.6173.7-61-69.8000110.3L205 C241 L242 P288 F295L205-I290 HydrophobicContact CD1-CD1 3.38Å; C241-I290 HydrophobicContact CB-CG2 4.46Å; C241-I290 CarbonylContact O-C 3.54Å; C241-I290 WeakPolarHBondContact O-CA 3.32Å; L242-I290 HydrophobicContact CD2-CD1 3.7Å; L242-I290 HydrophobicContact CG-CD1 4.4Å; P288-I290 PolarHBondContact O-N 2.78Å; I290-F295 HydrophobicContact CD1-CB 4.45Å; I290-F295 HydrophobicContact CG2-CB 3.92Å; I290-F295 WeakPolarHBondContact CG2-O 3.38Å
291R95.2Very high89.5Confident121 Ų12180.9 Ų80.946%0.45743%0.427SS..PPolyproline II helixtrans-93.8135.5170.3-62.8176.7173.7-168.8-5.7109.8C241 T243C241-R291 PolarHBondContact O-N 2.71Å; T243-R291 VanDerWaalsContact OG1-CZ 3.25Å; T243-R291 PolarHBondContact OG1-NE 2.76Å; T243-R291 PolarHBondContact OG1-NH2 2.85Å
292G93.3Very high91.1Very high68 Ų6877.2 Ų77.270%0.70140%0.399SS*.SBendtrans70.9-164.5-179.100000112.9
293E94.4Very high92.4Very high175 Ų17582.7 Ų82.782%0.81841%0.411SS*.SBendtrans-117.2-4.7-172-60.2179.8174.700113T208 F295T208-E293 PolarHBondContact OG1-O 3.16Å; E293-F295 PolarHBondContact O-N 2.72Å
294N96.2Very high93.9Very high92 Ų9281.4 Ų81.449%0.49241%0.405SS..SBendtrans-77-9.6-174.6-66.8-5000113.6G207 T208 V209G207-N294 WeakPolarHBondContact CA-O 3.48Å; T208-N294 PolarHBondContact N-O 2.98Å; T208-N294 WeakPolarHBondContact OG1-CA 3.39Å; T208-N294 PolarHBondContact OG1-O 2.8Å; T208-N294 VanDerWaalsContact OG1-O 3.05Å; V209-N294 HydrophobicContact CG2-CB 4.04Å
295F98Very high94.8Very high15 Ų1577.6 Ų77.67%0.06639%0.388CS..EExtended strand (participates in β ladder)trans-141157.6-179.3-57.9-86.4000111.4D25 L205 V206 P215 L237 C241 I290 E293D25-F295 HydrophobicContact CB-CE1 4.06Å; D25-F295 HydrophobicContact CB-CZ 3.83Å; L205-F295 HydrophobicContact CD1-CB 4.11Å; L205-F295 HydrophobicContact CG-CD1 4.45Å; V206-F295 CarbonylContact O-C 3.57Å; V206-F295 WeakPolarHBondContact O-CA 3.38Å; P215-F295 HydrophobicContact CB-CE1 4.05Å; P215-F295 HydrophobicContact CG-CD1 4.14Å; P215-F295 HydrophobicContact CG-CE1 4.04Å; L237-F295 HydrophobicContact CD2-CE1 4.32Å; L237-F295 HydrophobicContact CD2-CZ 4.39Å; L237-F295 HydrophobicContact CG-CZ 4.3Å; C241-F295 HydrophobicContact CB-CB 4.2Å; C241-F295 HydrophobicContact CB-CD2 3.4Å; C241-F295 VanDerWaalsContact CB-CD2 3.4Å; C241-F295 HydrophobicContact CB-CE2 3.91Å; C241-F295 HydrophobicContact CB-CG 3.88Å; I290-F295 HydrophobicContact CD1-CB 4.45Å; I290-F295 HydrophobicContact CG2-CB 3.92Å; I290-F295 WeakPolarHBondContact CG2-O 3.38Å; E293-F295 PolarHBondContact O-N 2.72Å
296F97.8Very high95.2Very high78 Ų7874.6 Ų74.634%0.34237%0.37SS..EExtended strand (participates in β ladder)trans-149.9167.1167.472.7-75.8000111V206 T208 W298V206-F296 HydrophobicContact CB-CD1 3.97Å; V206-F296 HydrophobicContact CB-CE1 3.55Å; V206-F296 HydrophobicContact CB-CE2 4.42Å; V206-F296 HydrophobicContact CB-CZ 3.8Å; V206-F296 HydrophobicContact CG1-CD1 4.21Å; V206-F296 HydrophobicContact CG1-CE1 3.38Å; V206-F296 HydrophobicContact CG1-CZ 3.7Å; V206-F296 HydrophobicContact CG2-CE1 4.45Å; V206-F296 HydrophobicContact CG2-CZ 4.21Å; V206-F296 PolarHBondContact N-O 3.41Å; V206-F296 PolarHBondContact O-N 2.87Å; T208-F296 HydrophobicContact CG2-CD1 3.32Å; T208-F296 HydrophobicContact CG2-CE1 3.71Å; T208-F296 HydrophobicContact CG2-CG 4.48Å; F296-W298 HydrophobicContact CE2-CB 3.87Å; F296-W298 HydrophobicContact CZ-CB 4.44Å
297W97.8Very high95.3Very high26 Ų2671.4 Ų71.410%0.09836%0.364CS..EExtended strand (participates in β ladder)trans-92.2119.4170.3-70.5107.4000110.3V194 F196 W203 L205 L242 P287 P288V194-W297 HydrophobicContact CG1-CH2 4.14Å; F196-W297 HydrophobicContact CB-CE3 4.46Å; F196-W297 HydrophobicContact CB-CH2 3.95Å; F196-W297 HydrophobicContact CB-CZ2 4.49Å; F196-W297 HydrophobicContact CB-CZ3 3.94Å; W203-W297 HydrophobicContact CB-CE3 3.85Å; W203-W297 HydrophobicContact CB-CZ3 4.49Å; W203-W297 HydrophobicContact CD2-CB 4.5Å; W203-W297 HydrophobicContact CE3-CB 3.71Å; W203-W297 HydrophobicContact CZ3-CB 4.29Å; L205-W297 HydrophobicContact CB-CE3 4.26Å; L205-W297 HydrophobicContact CB-CH2 4.3Å; L205-W297 HydrophobicContact CB-CZ3 3.97Å; L205-W297 HydrophobicContact CD1-CD2 4.41Å; L205-W297 HydrophobicContact CD1-CZ2 4.41Å; L242-W297 HydrophobicContact CD1-CZ2 4.2Å; L242-W297 HydrophobicContact CD2-CZ2 4.3Å; P287-W297 HydrophobicContact CB-CB 4.33Å; P287-W297 HydrophobicContact CB-CD2 3.64Å; P287-W297 HydrophobicContact CB-CE3 4.3Å; P287-W297 HydrophobicContact CB-CG 3.63Å; P287-W297 HydrophobicContact CB-CZ2 4.31Å; P287-W297 HydrophobicContact CG-CB 3.64Å; P287-W297 VanDerWaalsContact CG-CD1 3.44Å; P287-W297 HydrophobicContact CG-CD2 3.97Å; P287-W297 HydrophobicContact CG-CG 3.4Å; P287-W297 VanDerWaalsContact CG-CG 3.4Å; P288-W297 HydrophobicContact CG-CZ2 3.97Å; P288-W297 PolarHBondContact O-NE1 3.19Å
298W97.3Very high95.2Very high25 Ų2573.4 Ų73.410%0.09537%0.372CS..EExtended strand (participates in β ladder)trans-89.9119.8171171.141.6000109.9L6 L10 W203 V204 V206 F296 V300 L305L6-W298 HydrophobicContact CD2-CB 4.29Å; L6-W298 HydrophobicContact CD2-CD2 3.47Å; L6-W298 VanDerWaalsContact CD2-CD2 3.47Å; L6-W298 HydrophobicContact CD2-CE3 3.24Å; L6-W298 HydrophobicContact CD2-CG 3.94Å; L6-W298 HydrophobicContact CD2-CH2 4.36Å; L6-W298 HydrophobicContact CD2-CZ3 3.72Å; L6-W298 HydrophobicContact CG-CD2 4.33Å; L6-W298 HydrophobicContact CG-CE3 3.71Å; L6-W298 HydrophobicContact CG-CH2 4.24Å; L6-W298 HydrophobicContact CG-CZ3 3.64Å; L10-W298 HydrophobicContact CB-CZ3 4.31Å; L10-W298 HydrophobicContact CD2-CH2 4.08Å; L10-W298 HydrophobicContact CD2-CZ3 3.58Å; W203-W298 CarbonylContact C-O 3.59Å; W203-W298 VanDerWaalsContact CA-O 3.31Å; W203-W298 WeakPolarHBondContact CA-O 3.4Å; V204-W298 HydrophobicContact CB-CE3 4.27Å; V204-W298 PolarHBondContact N-O 2.86Å; V204-W298 PolarHBondContact O-N 3.28Å; V206-W298 HydrophobicContact CG2-CB 3.54Å; V206-W298 HydrophobicContact CG2-CE3 4.42Å; V206-W298 HydrophobicContact CG2-CG 4.47Å; F296-W298 HydrophobicContact CE2-CB 3.87Å; F296-W298 HydrophobicContact CZ-CB 4.44Å; W298-V300 HydrophobicContact CD2-CG2 4.4Å; W298-V300 HydrophobicContact CE3-CG2 4.17Å; W298-V300 HydrophobicContact CH2-CG2 4.45Å; W298-V300 HydrophobicContact CZ3-CG2 4.22Å; W298-V300 PolarHBondContact O-N 3.39Å; W298-L305 HydrophobicContact CH2-CD1 4.19Å
299K96.3Very high95.2Very high97 Ų9773 Ų7342%0.42237%0.369SS..EExtended strand (participates in β ladder)trans-72.2110.1169-166174.1178173.30108.1T201 W203 T301T201-K299 HydrophobicContact CG2-CD 4.05Å; T201-K299 HydrophobicContact CG2-CG 3.55Å; W203-K299 HydrophobicContact CD2-CB 4.08Å; W203-K299 HydrophobicContact CD2-CG 4.28Å; W203-K299 VanDerWaalsContact CE3-CA 3.49Å; W203-K299 HydrophobicContact CE3-CB 3.67Å; W203-K299 HydrophobicContact CE3-CG 4.35Å; W203-K299 VanDerWaalsContact CE3-N 3.28Å; W203-K299 HydrophobicContact CH2-CB 3.71Å; W203-K299 HydrophobicContact CH2-CD 3.98Å; W203-K299 HydrophobicContact CH2-CG 4.07Å; W203-K299 HydrophobicContact CZ2-CB 4.08Å; W203-K299 HydrophobicContact CZ2-CD 3.83Å; W203-K299 HydrophobicContact CZ2-CG 3.94Å; W203-K299 HydrophobicContact CZ3-CB 3.5Å; W203-K299 VanDerWaalsContact CZ3-CB 3.5Å; W203-K299 HydrophobicContact CZ3-CG 4.28Å; K299-T301 PolarHBondContact O-N 2.92Å
300V95.6Very high95.1Very high0 Ų067.8 Ų67.80%035%0.349CS..  trans-68.1121.1174.3-175.40000106.9L10 V202 V204 W298 L305 Q306 L309L10-V300 HydrophobicContact CD2-CG2 4.32Å; V202-V300 PolarHBondContact O-N 2.91Å; V202-V300 VanDerWaalsContact O-N 3.15Å; V204-V300 HydrophobicContact CB-CG2 4.38Å; V204-V300 HydrophobicContact CG2-CG2 3.69Å; W298-V300 HydrophobicContact CD2-CG2 4.4Å; W298-V300 HydrophobicContact CE3-CG2 4.17Å; W298-V300 HydrophobicContact CH2-CG2 4.45Å; W298-V300 HydrophobicContact CZ3-CG2 4.22Å; W298-V300 PolarHBondContact O-N 3.39Å; V300-L305 HydrophobicContact CG1-CB 3.76Å; V300-L305 HydrophobicContact CG1-CD1 4.43Å; V300-Q306 HydrophobicContact CB-CG 4.13Å; V300-Q306 HydrophobicContact CG1-CG 3.87Å; V300-Q306 PolarHBondContact O-NE2 2.56Å; V300-L309 HydrophobicContact CG2-CD1 4.03Å
301T94.2Very high94.8Very high92 Ų9272.6 Ų72.656%0.56437%0.369SS*.  trans-107.2-17.4-177.243.80000112.7K299 E303K299-T301 PolarHBondContact O-N 2.92Å; T301-E303 PolarHBondContact O-N 3.04Å
302E94.7Very high94.7Very high52 Ų5267.3 Ų67.324%0.24335%0.349CS..  trans-75114179.9-59.474.2-163.900109.4T7 D304 L305 Q306T7-E302 HydrophobicContact CG2-CG 4.22Å; E302-D304 VanDerWaalsContact C-N 3.28Å; E302-D304 PolarHBondContact O-N 3.19Å; E302-L305 HydrophobicContact CB-CB 4.12Å; E302-L305 HydrophobicContact CB-CD1 4.18Å; E302-L305 HydrophobicContact CB-CG 4.23Å; E302-L305 HydrophobicContact CG-CD1 4.42Å; E302-L305 PolarHBondContact O-N 2.81Å; E302-Q306 PolarHBondContact O-N 2.84Å
303E92.9Very high94.6Very high167 Ų16765.3 Ų65.378%0.7832%0.322SS*.Hα-helixtrans-57.8-39.7-175.7-66.5-176.6174.100112.8T301 Q306 S307T301-E303 PolarHBondContact O-N 3.04Å; E303-Q306 PolarHBondContact O-N 3.05Å; E303-S307 WeakPolarHBondContact O-CB 3.41Å; E303-S307 PolarHBondContact O-N 2.86Å
304D93.6Very high94.1Very high109 Ų10963 Ų6358%0.58331%0.311SS*.Hα-helixtrans-63.6-45.6178.5-175.568.1000111.7E302 Q306 S307 Q308E302-D304 VanDerWaalsContact C-N 3.28Å; E302-D304 PolarHBondContact O-N 3.19Å; D304-Q306 PolarHBondContact O-N 2.76Å; D304-S307 WeakPolarHBondContact O-CB 3.3Å; D304-S307 PolarHBondContact O-N 3.29Å; D304-Q308 WeakPolarHBondContact O-CG 3.4Å; D304-Q308 PolarHBondContact O-N 3.43Å; D304-Q308 PolarHBondContact OD2-NE2 2.85Å
305L94.4Very high92.6Very high6 Ų662.4 Ų62.43%0.03133%0.327CS..Hα-helixtrans-65.2-40.8176.6-76.6-176.6000112.4T7 L10 A11 L14 W298 V300 E302 S307 Q308 L309T7-L305 HydrophobicContact CG2-CD1 3.47Å; T7-L305 VanDerWaalsContact CG2-CD1 3.47Å; T7-L305 HydrophobicContact CG2-CG 4.44Å; L10-L305 HydrophobicContact CD2-CD1 4.23Å; A11-L305 HydrophobicContact CB-CD2 3.91Å; L14-L305 HydrophobicContact CD1-CD2 4.22Å; W298-L305 HydrophobicContact CH2-CD1 4.19Å; V300-L305 HydrophobicContact CG1-CB 3.76Å; V300-L305 HydrophobicContact CG1-CD1 4.43Å; E302-L305 HydrophobicContact CB-CB 4.12Å; E302-L305 HydrophobicContact CB-CD1 4.18Å; E302-L305 HydrophobicContact CB-CG 4.23Å; E302-L305 HydrophobicContact CG-CD1 4.42Å; E302-L305 PolarHBondContact O-N 2.81Å; L305-S307 VanDerWaalsContact C-N 3.32Å; L305-S307 PolarHBondContact O-N 3.1Å; L305-Q308 PolarHBondContact O-N 3.17Å; L305-L309 WeakPolarHBondContact O-CB 3.46Å; L305-L309 PolarHBondContact O-N 2.6Å
306Q94.2Very high91.5Very high39 Ų3964.5 Ų64.518%0.18234%0.344CS..Hα-helixtrans-59.4-46.2174.4-73.3-169.46.300111V300 E302 E303 D304 Q308 L309 L310V300-Q306 HydrophobicContact CB-CG 4.13Å; V300-Q306 HydrophobicContact CG1-CG 3.87Å; V300-Q306 PolarHBondContact O-NE2 2.56Å; E302-Q306 PolarHBondContact O-N 2.84Å; E303-Q306 PolarHBondContact O-N 3.05Å; D304-Q306 PolarHBondContact O-N 2.76Å; Q306-Q308 PolarHBondContact O-N 2.95Å; Q306-L309 PolarHBondContact O-N 2.67Å; Q306-L310 WeakPolarHBondContact O-CB 3.45Å; Q306-L310 VanDerWaalsContact O-CG 3.27Å; Q306-L310 WeakPolarHBondContact O-CG 2.99Å; Q306-L310 PolarHBondContact O-N 2.92Å
307S92.7Very high91.1Very high77 Ų7761.2 Ų61.254%0.53833%0.33SS..Hα-helixtrans-60.1-45.7178.1-176.80000111.8E303 D304 L305 L310 K311E303-S307 WeakPolarHBondContact O-CB 3.41Å; E303-S307 PolarHBondContact O-N 2.86Å; D304-S307 WeakPolarHBondContact O-CB 3.3Å; D304-S307 PolarHBondContact O-N 3.29Å; L305-S307 VanDerWaalsContact C-N 3.32Å; L305-S307 PolarHBondContact O-N 3.1Å; S307-L310 PolarHBondContact O-N 3.12Å; S307-K311 WeakPolarHBondContact O-CB 3.41Å; S307-K311 PolarHBondContact O-N 2.72Å
308Q93.5Very high90.9Very high62 Ų6260.4 Ų60.429%0.2933%0.328SS..Hα-helixtrans-61.6-45175.8-69.6-175.43700112.2L14 D304 L305 Q306 K311 R312L14-Q308 HydrophobicContact CD1-CB 4.05Å; D304-Q308 WeakPolarHBondContact O-CG 3.4Å; D304-Q308 PolarHBondContact O-N 3.43Å; D304-Q308 PolarHBondContact OD2-NE2 2.85Å; L305-Q308 PolarHBondContact O-N 3.17Å; Q306-Q308 PolarHBondContact O-N 2.95Å; Q308-K311 PolarHBondContact O-N 3.02Å; Q308-R312 WeakPolarHBondContact O-CG 3.24Å; Q308-R312 PolarHBondContact O-N 3.44Å
309L94.5Very high90.9Very high0 Ų059.2 Ų59.20%032%0.324CS..Hα-helixtrans-60.5-50.6176-86.8166.6000112.1L10 L14 V193 T195 V202 V204 V300 L305 Q306 K311 R312 L313L10-L309 HydrophobicContact CD1-CD2 4.39Å; L10-L309 HydrophobicContact CD2-CD1 3.92Å; L14-L309 HydrophobicContact CD1-CD2 4.17Å; L14-L309 HydrophobicContact CD1-CG 3.82Å; L14-L309 HydrophobicContact CD2-CD2 3.7Å; L14-L309 HydrophobicContact CD2-CG 4.2Å; V193-L309 HydrophobicContact CG1-CD2 3.88Å; T195-L309 HydrophobicContact CG2-CD2 4.09Å; V202-L309 HydrophobicContact CB-CD1 4.45Å; V202-L309 HydrophobicContact CG1-CB 4.46Å; V202-L309 HydrophobicContact CG1-CD1 3.95Å; V204-L309 HydrophobicContact CG2-CD1 3.97Å; V300-L309 HydrophobicContact CG2-CD1 4.03Å; L305-L309 WeakPolarHBondContact O-CB 3.46Å; L305-L309 PolarHBondContact O-N 2.6Å; Q306-L309 PolarHBondContact O-N 2.67Å; L309-K311 VanDerWaalsContact C-N 3.26Å; L309-K311 PolarHBondContact O-N 2.71Å; L309-R312 CarbonylContact O-C 3.5Å; L309-R312 WeakPolarHBondContact O-CA 3.02Å; L309-R312 WeakPolarHBondContact O-CB 3.43Å; L309-R312 PolarHBondContact O-N 3.02Å; L309-L313 VanDerWaalsContact O-CG 3.27Å; L309-L313 WeakPolarHBondContact O-CG 3.48Å; L309-L313 PolarHBondContact O-N 2.85Å
310L92.8Very high90.8Very high81 Ų8156.5 Ų56.542%0.42432%0.316SS..Hα-helixtrans-60-38.7179.4-72.3172.2000111.4T197 V202 Q306 S307 L313T197-L310 HydrophobicContact CG2-CD2 4.12Å; V202-L310 HydrophobicContact CG2-CD2 3.66Å; V202-L310 HydrophobicContact CG2-CG 3.89Å; Q306-L310 WeakPolarHBondContact O-CB 3.45Å; Q306-L310 VanDerWaalsContact O-CG 3.27Å; Q306-L310 WeakPolarHBondContact O-CG 2.99Å; Q306-L310 PolarHBondContact O-N 2.92Å; S307-L310 PolarHBondContact O-N 3.12Å; L310-L313 HydrophobicContact CD2-CD1 4.43Å; L310-L313 PolarHBondContact O-N 2.84Å
311K91.8Very high90.8Very high142 Ų14258.9 Ų58.962%0.61733%0.33SS*.Hα-helixtrans-61.6-46.5171.6-174.2177.7-179.4179.60111.2S307 Q308 L309 L313 Q314 S317S307-K311 WeakPolarHBondContact O-CB 3.41Å; S307-K311 PolarHBondContact O-N 2.72Å; Q308-K311 PolarHBondContact O-N 3.02Å; L309-K311 VanDerWaalsContact C-N 3.26Å; L309-K311 PolarHBondContact O-N 2.71Å; K311-L313 VanDerWaalsContact C-N 3.25Å; K311-L313 PolarHBondContact O-N 2.86Å; K311-Q314 WeakPolarHBondContact O-CB 3.46Å; K311-Q314 PolarHBondContact O-N 2.83Å; K311-S317 PolarHBondContact O-OG 3.07Å
312R92.7Very high90.6Very high11 Ų1157.2 Ų57.24%0.04232%0.318CS..Hα-helixtrans-65.3-24.2178.8-72.2-61.1-151.2134.97.9113.8L14 L255 L273 Q308 L309 Q314 S317L14-R312 HydrophobicContact CD2-CB 4.32Å; L14-R312 HydrophobicContact CD2-CG 3.91Å; L14-R312 VanDerWaalsContact O-CZ 3.26Å; L14-R312 PolarHBondContact O-NE 3.43Å; L14-R312 VanDerWaalsContact O-NE 3.1Å; L14-R312 PolarHBondContact O-NH2 3.09Å; L255-R312 HydrophobicContact CD2-CB 4.15Å; L255-R312 HydrophobicContact CD2-CG 3.98Å; L255-R312 PolarHBondContact O-NH2 2.91Å; L273-R312 HydrophobicContact CD2-CB 4.13Å; L273-R312 WeakPolarHBondContact CD2-O 3.4Å; Q308-R312 WeakPolarHBondContact O-CG 3.24Å; Q308-R312 PolarHBondContact O-N 3.44Å; L309-R312 CarbonylContact O-C 3.5Å; L309-R312 WeakPolarHBondContact O-CA 3.02Å; L309-R312 WeakPolarHBondContact O-CB 3.43Å; L309-R312 PolarHBondContact O-N 3.02Å; R312-Q314 VanDerWaalsContact C-N 3.31Å; R312-S317 WeakPolarHBondContact CA-OG 3.39Å; R312-S317 WeakPolarHBondContact CD-O 3.49Å; R312-S317 PolarHBondContact NH1-O 3.5Å; R312-S317 PolarHBondContact O-OG 3.31Å
313L91.4Very high90.1Very high26 Ų2662.9 Ų62.914%0.13634%0.337CS..THydrogen-bonded Turntrans-79.1-11.1178.3-74.1168.3000113.8L273 T275 L309 L310 K311L273-L313 HydrophobicContact CD1-CD2 4.12Å; L273-L313 HydrophobicContact CD2-CD2 3.94Å; L273-L313 HydrophobicContact CD2-CG 4.37Å; L273-L313 HydrophobicContact CG-CD2 4.18Å; T275-L313 HydrophobicContact CG2-CD2 3.26Å; L309-L313 VanDerWaalsContact O-CG 3.27Å; L309-L313 WeakPolarHBondContact O-CG 3.48Å; L309-L313 PolarHBondContact O-N 2.85Å; L310-L313 HydrophobicContact CD2-CD1 4.43Å; L310-L313 PolarHBondContact O-N 2.84Å; K311-L313 VanDerWaalsContact C-N 3.25Å; K311-L313 PolarHBondContact O-N 2.86Å
314Q84.4Confident90Very high125 Ų12557.7 Ų57.758%0.58432%0.315SS*.SBendtrans-68140.1172.1-61.3177.9-4.100109.5K311 R312 S316 S317K311-Q314 WeakPolarHBondContact O-CB 3.46Å; K311-Q314 PolarHBondContact O-N 2.83Å; R312-Q314 VanDerWaalsContact C-N 3.31Å; Q314-S316 PolarHBondContact O-N 2.64Å; Q314-S317 PolarHBondContact O-N 3.35Å; Q314-S317 PolarHBondContact O-OG 3.22Å
315G64.2Low89.8Confident80 Ų8054.9 Ų54.983%0.82530%0.301SS*.THydrogen-bonded Turntrans-60.6-5.3-164.800000117.5
316S74.3Confident89.6Confident60 Ų6057.7 Ų57.742%0.4232%0.316SS..THydrogen-bonded Turntrans-115.6-6.1-178.465.60000114.9R174 Q314 V318R174-S316 CarbonylContact C-O 3.49Å; R174-S316 VanDerWaalsContact CB-O 3.28Å; R174-S316 WeakPolarHBondContact CB-O 3.23Å; R174-S316 CarbonylContact O-C 3.5Å; Q314-S316 PolarHBondContact O-N 2.64Å; S316-V318 VanDerWaalsContact C-N 3.34Å; S316-V318 PolarHBondContact O-N 3.36Å
317S89.7Confident89.3Confident8 Ų858.8 Ų58.86%0.05632%0.323CS..SBendtrans-90.516.2-168.4550000116.8R174 H175 K311 R312 Q314R174-S317 VanDerWaalsContact O-CA 3.23Å; R174-S317 WeakPolarHBondContact O-CA 3.24Å; H175-S317 VanDerWaalsContact CB-C 3.42Å; H175-S317 WeakPolarHBondContact CB-O 3.38Å; K311-S317 PolarHBondContact O-OG 3.07Å; R312-S317 WeakPolarHBondContact CA-OG 3.39Å; R312-S317 WeakPolarHBondContact CD-O 3.49Å; R312-S317 PolarHBondContact NH1-O 3.5Å; R312-S317 PolarHBondContact O-OG 3.31Å; Q314-S317 PolarHBondContact O-N 3.35Å; Q314-S317 PolarHBondContact O-OG 3.22Å
318V94.8Very high89.1Confident10 Ų1057.6 Ų57.66%0.06131%0.31CS..SBendtrans-131.8152.9179.6-67.80000109.5K252 L254 L255 L273 S316K252-V318 HydrophobicContact CB-CG2 4.21Å; K252-V318 WeakPolarHBondContact O-CG2 3.39Å; L254-V318 WeakPolarHBondContact O-CA 3.32Å; L254-V318 WeakPolarHBondContact O-CB 3.39Å; L255-V318 HydrophobicContact CD2-CG1 3.9Å; L273-V318 HydrophobicContact CB-CG1 4.31Å; L273-V318 HydrophobicContact CD2-CG1 3.88Å; S316-V318 VanDerWaalsContact C-N 3.34Å; S316-V318 PolarHBondContact O-N 3.36Å
319V96.3Very high88.8Confident0 Ų057.3 Ų57.30%031%0.311CS..BIsolated β-bridgetrans-73.9127.6174.5-177.30000108.4L105 I178 G253 L254L105-V319 HydrophobicContact CB-CG2 4.47Å; L105-V319 HydrophobicContact CD2-CB 4.5Å; L105-V319 HydrophobicContact CD2-CG1 3.93Å; L105-V319 HydrophobicContact CD2-CG2 4.44Å; L105-V319 HydrophobicContact CG-CG1 3.99Å; I178-V319 HydrophobicContact CB-CG2 4.28Å; I178-V319 HydrophobicContact CD1-CG2 3.67Å; I178-V319 HydrophobicContact CG2-CG2 4.41Å; G253-V319 CarbonylContact C-O 3.53Å; G253-V319 WeakPolarHBondContact CA-O 3.28Å; L254-V319 HydrophobicContact CB-CB 4.19Å; L254-V319 PolarHBondContact N-O 2.85Å; L254-V319 PolarHBondContact O-N 2.95Å
320P95.1Very high88.4Confident39 Ų3961.4 Ų61.425%0.25333%0.334SS..  trans-65145.317926.5-35.1000112.1L106 V108L106-P320 WeakPolarHBondContact O-CD 3.18Å; L106-P320 WeakPolarHBondContact O-CG 3.5Å; V108-P320 PolarHBondContact N-O 2.75Å
321V93.9Very high88Confident50 Ų5059.9 Ų59.930%0.30333%0.327SS..EExtended strand (participates in β ladder)trans-112.5113.8167-172.60000108.1V108 E110 M230 L254V108-V321 CarbonylContact O-C 3.49Å; V108-V321 VanDerWaalsContact O-CA 3.26Å; V108-V321 WeakPolarHBondContact O-CA 3.5Å; E110-V321 HydrophobicContact CG-CG1 4.44Å; M230-V321 HydrophobicContact CE-CG1 4.42Å; L254-V321 HydrophobicContact CD1-CG2 3.85Å; L254-V321 HydrophobicContact CD2-CG2 3.48Å; L254-V321 VanDerWaalsContact CD2-CG2 3.48Å; L254-V321 HydrophobicContact CG-CG2 3.37Å
322N91.8Very high87.7Confident57 Ų5753.1 Ų53.131%0.30530%0.302SS..EExtended strand (participates in β ladder)trans-107.9159-177.2-64.1-49.4000110.9S107 V108 E109 E110S107-N322 PolarHBondContact OG-ND2 3.14Å; S107-N322 VanDerWaalsContact OG-ND2 3.07Å; V108-N322 PolarHBondContact O-N 2.82Å; E109-N322 CarbonylContact C-O 3.51Å; E109-N322 VanDerWaalsContact CA-O 3.24Å; E109-N322 WeakPolarHBondContact CA-O 3.33Å; E109-N322 HydrophobicContact CG-CB 4.19Å; E110-N322 PolarHBondContact N-O 3.44Å
323R84.2Confident87.3Confident171 Ų17156.9 Ų56.965%0.64533%0.326SS*.  trans-125.20178.1-174.7176.8179.1-173.3-2.9111.1E110 R227 G228E110-R323 HydrophobicContact CG-CB 4.45Å; E110-R323 WeakPolarHBondContact O-CA 3.22Å; E110-R323 WeakPolarHBondContact O-CG 3.45Å; R227-R323 PolarHBondContact O-NH1 3.1Å; R227-R323 PolarHBondContact O-NH2 3.13Å; G228-R323 PolarHBondContact O-NH1 2.84Å

Retrieved 323 of 323 residues in 188.4 ms (Link to these results)

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