A0A087YCG7_POEFO Loading...

Four and a half LIM domains 5

AlphaFold DB (A0A3B3U7C4), UniProt , Accession A0A087YCG7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 281 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.9Very low70Confident243 Ų243120.4 Ų120.4100%1.19760%0.603SS**  0104.90-64.8172.886.500106.2S3M1-S3 PolarHBondContact O-N 3.2Å
2S44.3Very low71.8Confident110 Ų110114.2 Ų114.277%0.76958%0.579SS**  trans-68.1119.9-175.650.10000109.6V4S2-V4 PolarHBondContact O-N 3.48Å
3S47Very low73.3Confident108 Ų108115.7 Ų115.776%0.75558%0.579SS**  trans-60.2107.2168.346.10000107.9M1 E5M1-S3 PolarHBondContact O-N 3.2Å; S3-E5 PolarHBondContact O-N 2.96Å
4V57.1Low74.7Confident125 Ų125114.2 Ų114.276%0.75857%0.574SS**  trans-64104.5170.8-179.30000106S2 R6S2-V4 PolarHBondContact O-N 3.48Å; V4-R6 PolarHBondContact O-N 3.13Å; V4-R6 VanDerWaalsContact O-N 3.08Å
5E61.4Low75.8Confident178 Ų178109.7 Ų109.783%0.83256%0.557SS**  trans-55.8117.1170.3-73.4-175.8159.400107.6S3 F7S3-E5 PolarHBondContact O-N 2.96Å; E5-F7 PolarHBondContact O-N 2.75Å
6R69.6Low76.7Confident214 Ų214103 Ų10381%0.80852%0.523SS*.  trans-68.6103.3-179.8-94.6-177.1167164.2-5.1109V4 D8V4-R6 PolarHBondContact O-N 3.13Å; V4-R6 VanDerWaalsContact O-N 3.08Å; R6-D8 VanDerWaalsContact C-N 3.3Å; R6-D8 WeakPolarHBondContact CB-OD2 3.34Å; R6-D8 PolarHBondContact O-N 3.46Å
7F86.9Confident77.5Confident64 Ų64104.2 Ų104.228%0.28153%0.53SS..  trans-90.167.8177.6-159.7-103.9000110.6E5 L16 L17 Y21E5-F7 PolarHBondContact O-N 2.75Å; F7-L16 HydrophobicContact CD1-CB 3.67Å; F7-L16 HydrophobicContact CE1-CB 3.75Å; F7-L16 HydrophobicContact CE1-CD1 4.4Å; F7-L16 WeakPolarHBondContact O-CB 3.42Å; F7-L16 PolarHBondContact O-N 3.01Å; F7-L17 HydrophobicContact CB-CD2 4.27Å; F7-Y21 AromaticContact CE1-CD1 3.88Å; F7-Y21 HydrophobicContact CE1-CD1 3.88Å; F7-Y21 AromaticContact CE1-CE1 3.67Å; F7-Y21 HydrophobicContact CE1-CE1 3.67Å; F7-Y21 HydrophobicContact CE1-CE2 4.47Å; F7-Y21 HydrophobicContact CE1-CG 4.38Å; F7-Y21 HydrophobicContact CZ-CD1 4.14Å; F7-Y21 HydrophobicContact CZ-CD2 4.22Å; F7-Y21 AromaticContact CZ-CE1 3.68Å; F7-Y21 HydrophobicContact CZ-CE1 3.68Å; F7-Y21 AromaticContact CZ-CE2 3.77Å; F7-Y21 HydrophobicContact CZ-CE2 3.77Å; F7-Y21 HydrophobicContact CZ-CG 4.4Å; F7-Y21 AromaticContact CZ-CZ 3.49Å; F7-Y21 VanDerWaalsContact CZ-CZ 3.49Å
8D92.3Very high77.9Confident41 Ų41103.6 Ų103.622%0.21955%0.554CS.*BIsolated β-bridgetrans-114155.4-174.2-56.3-33.7000111.5R6 H10 D14 S15 Q28R6-D8 VanDerWaalsContact C-N 3.3Å; R6-D8 WeakPolarHBondContact CB-OD2 3.34Å; R6-D8 PolarHBondContact O-N 3.46Å; D8-H10 PolarHBondContact O-N 2.88Å; D8-D14 CarbonylContact C-O 3.57Å; D8-D14 WeakPolarHBondContact CA-O 3.33Å; D8-S15 VanDerWaalsContact OD1-CA 3.23Å; D8-S15 WeakPolarHBondContact OD1-CA 3.19Å; D8-Q28 VanDerWaalsContact O-CG 3.28Å; D8-Q28 WeakPolarHBondContact O-CG 3.17Å; D8-Q28 PolarHBondContact O-NE2 3.39Å
9C91.1Very high78.4Confident1 Ų1104.6 Ų104.61%0.00755%0.553CS.*  trans-60.8129.7174.9178.40000110.4Y11 C12 K13 D14 L16 C30C9-Y11 PolarHBondContact O-N 3.31Å; C9-C12 VanDerWaalsContact CB-SG 3.52Å; C9-K13 WeakPolarHBondContact O-CA 3.49Å; C9-K13 PolarHBondContact O-N 3.03Å; C9-D14 PolarHBondContact N-O 3.38Å; C9-L16 HydrophobicContact CB-CD1 4.43Å; C9-L16 HydrophobicContact CB-CD2 4.01Å; C9-L16 HydrophobicContact CB-CG 4.25Å; C9-C30 HydrophobicContact CB-CB 4.24Å; C9-C30 PolarHBondContact SG-N 3.1Å
10H91.1Very high78.9Confident93 Ų93107.4 Ų107.443%0.43156%0.561SS.*THydrogen-bonded Turntrans-58.4-35.9-179.8-175.779.2000112.3D8 K13 Q28 Y29D8-H10 PolarHBondContact O-N 2.88Å; H10-K13 WeakPolarHBondContact O-CE 3.44Å; H10-K13 PolarHBondContact O-NZ 2.91Å; H10-Q28 WeakPolarHBondContact CB-O 3.33Å; H10-Q28 PolarHBondContact N-O 3.01Å; H10-Y29 HydrophobicContact CB-CD1 4.38Å; H10-Y29 HydrophobicContact CB-CE1 4.03Å
11Y91Very high79.4Confident147 Ų147107.3 Ų107.358%0.57655%0.554SS**THydrogen-bonded Turntrans-86.5-66-177.8-171.9-101.3000113.3C9 K13 C33 L37C9-Y11 PolarHBondContact O-N 3.31Å; Y11-K13 PolarHBondContact O-N 3.37Å; Y11-C33 HydrophobicContact CD1-CB 4.2Å; Y11-C33 HydrophobicContact CG-CB 4.48Å; Y11-L37 HydrophobicContact CD1-CD1 4.37Å; Y11-L37 HydrophobicContact CD2-CD1 3.68Å; Y11-L37 HydrophobicContact CD2-CD2 4.27Å; Y11-L37 HydrophobicContact CE2-CD1 4.19Å; Y11-L37 HydrophobicContact CE2-CD2 3.93Å; Y11-L37 HydrophobicContact CG-CD1 3.77Å
12C92.2Very high81.7Confident46 Ų4697.5 Ų97.531%0.31151%0.505SS..THydrogen-bonded Turntrans-83.3-7.5-174.867.60000114.7C9 D14 C33C9-C12 VanDerWaalsContact CB-SG 3.52Å; C12-D14 PolarHBondContact O-N 3.33Å; C12-D14 VanDerWaalsContact O-N 3.13Å; C12-D14 PolarHBondContact SG-OD2 3.04Å; C12-C33 VanDerWaalsContact SG-SG 3.61Å
13K91.7Very high83.8Confident134 Ų13497 Ų9758%0.58349%0.492SS*.  trans62.310.1-177.4-48.1-55.5-173.9-171.50115.4C9 H10 Y11C9-K13 WeakPolarHBondContact O-CA 3.49Å; C9-K13 PolarHBondContact O-N 3.03Å; H10-K13 WeakPolarHBondContact O-CE 3.44Å; H10-K13 PolarHBondContact O-NZ 2.91Å; Y11-K13 PolarHBondContact O-N 3.37Å
14D91.7Very high85.7Confident95 Ų9595.1 Ų95.151%0.50847%0.47SS..  trans-70143.1173-68.6-35000111.6D8 C9 C12 L16D8-D14 CarbonylContact C-O 3.57Å; D8-D14 WeakPolarHBondContact CA-O 3.33Å; C9-D14 PolarHBondContact N-O 3.38Å; C12-D14 PolarHBondContact O-N 3.33Å; C12-D14 VanDerWaalsContact O-N 3.13Å; C12-D14 PolarHBondContact SG-OD2 3.04Å; D14-L16 PolarHBondContact O-N 3.22Å
15S91.8Very high87.2Confident47 Ų4797 Ų9733%0.32947%0.471SS..BIsolated β-bridgetrans-62.5131.3175.2-170.40000112.4D8 K19D8-S15 VanDerWaalsContact OD1-CA 3.23Å; D8-S15 WeakPolarHBondContact OD1-CA 3.19Å; S15-K19 WeakPolarHBondContact O-CD 3.39Å; S15-K19 PolarHBondContact O-NZ 2.82Å
16L90.5Very high88.4Confident2 Ų296.1 Ų96.11%0.0147%0.472CS..  trans-96.4-0.4179.2-62176.3000113.2F7 C9 D14 G18 K19 Y21 Q28 C30F7-L16 HydrophobicContact CD1-CB 3.67Å; F7-L16 HydrophobicContact CE1-CB 3.75Å; F7-L16 HydrophobicContact CE1-CD1 4.4Å; F7-L16 WeakPolarHBondContact O-CB 3.42Å; F7-L16 PolarHBondContact O-N 3.01Å; C9-L16 HydrophobicContact CB-CD1 4.43Å; C9-L16 HydrophobicContact CB-CD2 4.01Å; C9-L16 HydrophobicContact CB-CG 4.25Å; D14-L16 PolarHBondContact O-N 3.22Å; L16-G18 PolarHBondContact O-N 3.24Å; L16-K19 PolarHBondContact O-N 3.41Å; L16-Y21 HydrophobicContact CD1-CG 4.3Å; L16-Q28 HydrophobicContact CD1-CB 3.92Å; L16-Q28 HydrophobicContact CD1-CG 3.69Å; L16-C30 HydrophobicContact CD2-CB 3.58Å
17L89.4Confident89.4Confident123 Ų12387.8 Ų87.864%0.64445%0.445SS*.THydrogen-bonded Turntrans-55.8122.1178.2-70.3169.5000110.9F7 K19F7-L17 HydrophobicContact CB-CD2 4.27Å; L17-K19 PolarHBondContact O-N 2.91Å
18G85.3Confident89.6Confident93 Ų9386.6 Ų86.696%0.95944%0.44SS*.THydrogen-bonded Turntrans69.37-178.900000115.3L16L16-G18 PolarHBondContact O-N 3.24Å
19K88.2Confident89.5Confident124 Ų12485.8 Ų85.854%0.53943%0.434SS..SBendtrans-107.8156.6178.2-63-179.6-170.9159.70110.9S15 L16 L17S15-K19 WeakPolarHBondContact O-CD 3.39Å; S15-K19 PolarHBondContact O-NZ 2.82Å; L16-K19 PolarHBondContact O-N 3.41Å; L17-K19 PolarHBondContact O-N 2.91Å
20K87.8Confident89.5Confident160 Ų16086.7 Ų86.770%0.69644%0.441SS*.  trans-68.5136.8169.2-66.1-174.5179.4-176.70109.7T31K20-T31 HydrophobicContact CB-CG2 3.95Å
21Y88.8Confident89.4Confident106 Ų10684.3 Ų84.342%0.41643%0.433SS..EExtended strand (participates in β ladder)trans-142.5163.2177.366-87.3000110.1F7 L16 M23 Q28 Y29F7-Y21 AromaticContact CE1-CD1 3.88Å; F7-Y21 HydrophobicContact CE1-CD1 3.88Å; F7-Y21 AromaticContact CE1-CE1 3.67Å; F7-Y21 HydrophobicContact CE1-CE1 3.67Å; F7-Y21 HydrophobicContact CE1-CE2 4.47Å; F7-Y21 HydrophobicContact CE1-CG 4.38Å; F7-Y21 HydrophobicContact CZ-CD1 4.14Å; F7-Y21 HydrophobicContact CZ-CD2 4.22Å; F7-Y21 AromaticContact CZ-CE1 3.68Å; F7-Y21 HydrophobicContact CZ-CE1 3.68Å; F7-Y21 AromaticContact CZ-CE2 3.77Å; F7-Y21 HydrophobicContact CZ-CE2 3.77Å; F7-Y21 HydrophobicContact CZ-CG 4.4Å; F7-Y21 AromaticContact CZ-CZ 3.49Å; F7-Y21 VanDerWaalsContact CZ-CZ 3.49Å; L16-Y21 HydrophobicContact CD1-CG 4.3Å; Y21-M23 HydrophobicContact CD2-CG 4.32Å; Y21-M23 HydrophobicContact CD2-SD 4.19Å; Y21-M23 HydrophobicContact CE2-CG 3.98Å; Y21-M23 HydrophobicContact CE2-SD 3.94Å; Y21-Q28 HydrophobicContact CD2-CB 4.35Å; Y21-Y29 CarbonylContact C-O 3.52Å; Y21-Y29 VanDerWaalsContact CA-O 3.31Å; Y21-Y29 WeakPolarHBondContact CA-O 3.28Å; Y21-Y29 WeakPolarHBondContact CB-O 3.16Å
22I87.6Confident89.2Confident36 Ų3684.3 Ų84.319%0.18544%0.436CS..EExtended strand (participates in β ladder)trans-127132-179.6-58.4170.6000108.3Y29 T31 Y34 C51I22-Y29 PolarHBondContact N-O 2.96Å; I22-Y29 PolarHBondContact O-N 3.08Å; I22-T31 HydrophobicContact CD1-CG2 4.48Å; I22-Y34 HydrophobicContact CB-CD2 3.79Å; I22-Y34 HydrophobicContact CB-CE2 4.21Å; I22-Y34 HydrophobicContact CB-CG 3.99Å; I22-Y34 HydrophobicContact CD1-CD1 3.51Å; I22-Y34 HydrophobicContact CD1-CD2 4.28Å; I22-Y34 HydrophobicContact CD1-CE1 4.05Å; I22-Y34 HydrophobicContact CD1-CG 3.64Å; I22-Y34 HydrophobicContact CG1-CG 4.39Å; I22-Y34 HydrophobicContact CG2-CD1 4.38Å; I22-Y34 HydrophobicContact CG2-CD2 3.54Å; I22-Y34 HydrophobicContact CG2-CE1 4.28Å; I22-Y34 HydrophobicContact CG2-CE2 3.42Å; I22-Y34 VanDerWaalsContact CG2-CE2 3.42Å; I22-Y34 HydrophobicContact CG2-CG 4.03Å; I22-C51 HydrophobicContact CD1-CB 3.42Å; I22-C51 VanDerWaalsContact CD1-CB 3.42Å
23M88.4Confident89.1Confident100 Ų10082.7 Ų82.749%0.49342%0.424SS..EExtended strand (participates in β ladder)trans-91.1132.9175.2-64.7-65-70.400110.1Y21 T27 Q28Y21-M23 HydrophobicContact CD2-CG 4.32Å; Y21-M23 HydrophobicContact CD2-SD 4.19Å; Y21-M23 HydrophobicContact CE2-CG 3.98Å; Y21-M23 HydrophobicContact CE2-SD 3.94Å; M23-T27 CarbonylContact C-O 3.59Å; M23-T27 WeakPolarHBondContact CA-O 3.23Å; M23-Q28 HydrophobicContact SD-CB 3.56Å; M23-Q28 VanDerWaalsContact SD-CB 3.56Å
24K86.6Confident89Confident68 Ų6879 Ų7930%0.29641%0.407SS..EExtended strand (participates in β ladder)trans-143125.6172.2-173.1-179.6177.7-1740109.2D26 T27 Y29 Y34 F38K24-D26 VanDerWaalsContact C-N 3.3Å; K24-D26 PolarHBondContact O-N 3.04Å; K24-T27 PolarHBondContact N-O 2.91Å; K24-T27 PolarHBondContact O-N 2.78Å; K24-T27 PolarHBondContact O-OG1 3.19Å; K24-Y29 HydrophobicContact CB-CD2 4.41Å; K24-Y29 HydrophobicContact CB-CE2 4.17Å; K24-Y34 HydrophobicContact CB-CE2 4.12Å; K24-Y34 HydrophobicContact CD-CE2 4.1Å; K24-F38 HydrophobicContact CD-CD1 4.19Å; K24-F38 HydrophobicContact CD-CD2 3.94Å; K24-F38 HydrophobicContact CD-CE1 4.18Å; K24-F38 HydrophobicContact CD-CE2 3.96Å; K24-F38 HydrophobicContact CD-CG 4.05Å; K24-F38 HydrophobicContact CD-CZ 4.07Å; K24-F38 VanDerWaalsContact NZ-CE1 3.31Å
25E87.9Confident88.7Confident166 Ų16676.9 Ų76.978%0.77639%0.394SS*.THydrogen-bonded Turntrans49.549.7-180-63.1169.7-166.400112.1T27E25-T27 PolarHBondContact O-N 3.41Å
26D86.9Confident88.5Confident159 Ų15980.5 Ų80.585%0.8541%0.41SS*.THydrogen-bonded Turntrans60.311.7-177.3-56.5-35.9000116K24K24-D26 VanDerWaalsContact C-N 3.3Å; K24-D26 PolarHBondContact O-N 3.04Å
27T89.6Confident88.3Confident38 Ų3883.6 Ų83.623%0.23343%0.426CS..EExtended strand (participates in β ladder)trans-114141.6175.960.50000112M23 K24 E25 Y29M23-T27 CarbonylContact C-O 3.59Å; M23-T27 WeakPolarHBondContact CA-O 3.23Å; K24-T27 PolarHBondContact N-O 2.91Å; K24-T27 PolarHBondContact O-N 2.78Å; K24-T27 PolarHBondContact O-OG1 3.19Å; E25-T27 PolarHBondContact O-N 3.41Å; T27-Y29 WeakPolarHBondContact OG1-CE2 3.47Å; T27-Y29 PolarHBondContact OG1-OH 3.05Å; T27-Y29 VanDerWaalsContact OG1-OH 3.04Å
28Q91.6Very high88.2Confident40 Ų4080.8 Ų80.819%0.18741%0.409CS..EExtended strand (participates in β ladder)trans-100.5129.4-174.863.1-151.622.300112D8 H10 L16 Y21 M23D8-Q28 VanDerWaalsContact O-CG 3.28Å; D8-Q28 WeakPolarHBondContact O-CG 3.17Å; D8-Q28 PolarHBondContact O-NE2 3.39Å; H10-Q28 WeakPolarHBondContact CB-O 3.33Å; H10-Q28 PolarHBondContact N-O 3.01Å; L16-Q28 HydrophobicContact CD1-CB 3.92Å; L16-Q28 HydrophobicContact CD1-CG 3.69Å; Y21-Q28 HydrophobicContact CD2-CB 4.35Å; M23-Q28 HydrophobicContact SD-CB 3.56Å; M23-Q28 VanDerWaalsContact SD-CB 3.56Å
29Y91.1Very high88.3Confident23 Ų2377.5 Ų77.59%0.0937%0.373CS..EExtended strand (participates in β ladder)trans-121.9142.3178.4-60.5-93.4000110.3H10 Y21 I22 K24 T27 Y34 L37 F38H10-Y29 HydrophobicContact CB-CD1 4.38Å; H10-Y29 HydrophobicContact CB-CE1 4.03Å; Y21-Y29 CarbonylContact C-O 3.52Å; Y21-Y29 VanDerWaalsContact CA-O 3.31Å; Y21-Y29 WeakPolarHBondContact CA-O 3.28Å; Y21-Y29 WeakPolarHBondContact CB-O 3.16Å; I22-Y29 PolarHBondContact N-O 2.96Å; I22-Y29 PolarHBondContact O-N 3.08Å; K24-Y29 HydrophobicContact CB-CD2 4.41Å; K24-Y29 HydrophobicContact CB-CE2 4.17Å; T27-Y29 WeakPolarHBondContact OG1-CE2 3.47Å; T27-Y29 PolarHBondContact OG1-OH 3.05Å; T27-Y29 VanDerWaalsContact OG1-OH 3.04Å; Y29-Y34 HydrophobicContact CD2-CD2 4.48Å; Y29-L37 HydrophobicContact CD1-CD1 4.1Å; Y29-L37 HydrophobicContact CE1-CD1 4.02Å; Y29-F38 HydrophobicContact CD1-CE2 4.13Å; Y29-F38 HydrophobicContact CD2-CE2 4.13Å; Y29-F38 AromaticContact CE1-CE2 3.94Å; Y29-F38 HydrophobicContact CE1-CE2 3.94Å; Y29-F38 HydrophobicContact CE1-CZ 4.21Å; Y29-F38 AromaticContact CE2-CE2 3.93Å; Y29-F38 HydrophobicContact CE2-CE2 3.93Å; Y29-F38 HydrophobicContact CE2-CZ 4.36Å; Y29-F38 HydrophobicContact CG-CE2 4.24Å; Y29-F38 AromaticContact CZ-CE2 3.86Å; Y29-F38 AromaticContact CZ-CZ 3.98Å
30C91.3Very high88.5Confident21 Ų2174.7 Ų74.714%0.14236%0.363CS..EExtended strand (participates in β ladder)trans-65.5152.1164.377.90000109C9 L16 K32 C33 Y34C9-C30 HydrophobicContact CB-CB 4.24Å; C9-C30 PolarHBondContact SG-N 3.1Å; L16-C30 HydrophobicContact CD2-CB 3.58Å; C30-K32 PolarHBondContact O-N 3.33Å; C30-K32 VanDerWaalsContact O-N 3.14Å; C30-C33 PolarHBondContact O-N 2.79Å; C30-C33 PolarHBondContact SG-N 2.99Å; C30-C33 VanDerWaalsContact SG-N 3.38Å; C30-C33 PolarHBondContact SG-SG 3.34Å; C30-Y34 PolarHBondContact O-N 3.48Å
31T87.8Confident88.7Confident43 Ų4370.7 Ų70.726%0.26436%0.355SS..Hα-helixtrans-52.7-40.8-176.754.50000112.4K20 I22 Y34 E35K20-T31 HydrophobicContact CB-CG2 3.95Å; I22-T31 HydrophobicContact CD1-CG2 4.48Å; T31-Y34 PolarHBondContact O-N 2.83Å; T31-E35 WeakPolarHBondContact O-CB 3.24Å; T31-E35 VanDerWaalsContact O-CG 3.24Å; T31-E35 WeakPolarHBondContact O-CG 3.38Å; T31-E35 PolarHBondContact O-N 2.91Å
32K87.6Confident88.9Confident147 Ų14765.7 Ų65.764%0.63934%0.336SS*.Hα-helixtrans-66-40.2179.3-163.3175.2-173.3179.40113.3C30 N36C30-K32 PolarHBondContact O-N 3.33Å; C30-K32 VanDerWaalsContact O-N 3.14Å; K32-N36 WeakPolarHBondContact O-CB 3.45Å; K32-N36 VanDerWaalsContact O-CG 3.28Å; K32-N36 PolarHBondContact O-N 3.24Å; K32-N36 VanDerWaalsContact O-N 3.1Å
33C89.8Confident89.2Confident11 Ų1169 Ų697%0.07435%0.35CS..Hα-helixtrans-71.3-40.6176.3-70.40000111Y11 C12 C30 N36 L37Y11-C33 HydrophobicContact CD1-CB 4.2Å; Y11-C33 HydrophobicContact CG-CB 4.48Å; C12-C33 VanDerWaalsContact SG-SG 3.61Å; C30-C33 PolarHBondContact O-N 2.79Å; C30-C33 PolarHBondContact SG-N 2.99Å; C30-C33 VanDerWaalsContact SG-N 3.38Å; C30-C33 PolarHBondContact SG-SG 3.34Å; C33-N36 PolarHBondContact O-N 3.48Å; C33-L37 WeakPolarHBondContact O-CB 3.49Å; C33-L37 WeakPolarHBondContact O-CD1 3.03Å; C33-L37 WeakPolarHBondContact O-CG 3.07Å; C33-L37 PolarHBondContact O-N 3.39Å
34Y88.9Confident89.3Confident58 Ų5868.8 Ų68.823%0.22735%0.354CS..Hα-helixtrans-60.7-47.5176-173.8-86.4000111.2I22 K24 Y29 C30 T31 N36 L37 F38 C51I22-Y34 HydrophobicContact CB-CD2 3.79Å; I22-Y34 HydrophobicContact CB-CE2 4.21Å; I22-Y34 HydrophobicContact CB-CG 3.99Å; I22-Y34 HydrophobicContact CD1-CD1 3.51Å; I22-Y34 HydrophobicContact CD1-CD2 4.28Å; I22-Y34 HydrophobicContact CD1-CE1 4.05Å; I22-Y34 HydrophobicContact CD1-CG 3.64Å; I22-Y34 HydrophobicContact CG1-CG 4.39Å; I22-Y34 HydrophobicContact CG2-CD1 4.38Å; I22-Y34 HydrophobicContact CG2-CD2 3.54Å; I22-Y34 HydrophobicContact CG2-CE1 4.28Å; I22-Y34 HydrophobicContact CG2-CE2 3.42Å; I22-Y34 VanDerWaalsContact CG2-CE2 3.42Å; I22-Y34 HydrophobicContact CG2-CG 4.03Å; K24-Y34 HydrophobicContact CB-CE2 4.12Å; K24-Y34 HydrophobicContact CD-CE2 4.1Å; Y29-Y34 HydrophobicContact CD2-CD2 4.48Å; C30-Y34 PolarHBondContact O-N 3.48Å; T31-Y34 PolarHBondContact O-N 2.83Å; Y34-N36 PolarHBondContact O-N 3.1Å; Y34-L37 PolarHBondContact O-N 3.11Å; Y34-F38 AromaticContact CD2-CD2 3.58Å; Y34-F38 HydrophobicContact CD2-CD2 3.58Å; Y34-F38 HydrophobicContact CD2-CE2 4.23Å; Y34-F38 HydrophobicContact CE1-CB 4.34Å; Y34-F38 HydrophobicContact CE2-CB 4.4Å; Y34-F38 AromaticContact CE2-CD2 3.82Å; Y34-F38 HydrophobicContact CE2-CD2 3.82Å; Y34-F38 HydrophobicContact CE2-CG 4.47Å; Y34-F38 HydrophobicContact CG-CD2 4.06Å; Y34-F38 WeakPolarHBondContact O-CB 3.31Å; Y34-F38 PolarHBondContact O-N 2.87Å; Y34-C51 HydrophobicContact CD1-CB 4.47Å
35E87Confident89.6Confident49 Ų4967.9 Ų67.923%0.22936%0.356CS..Hα-helixtrans-59-46.1177.2-74.917516600111.7T31 L37 A39 G50 C51T31-E35 WeakPolarHBondContact O-CB 3.24Å; T31-E35 VanDerWaalsContact O-CG 3.24Å; T31-E35 WeakPolarHBondContact O-CG 3.38Å; T31-E35 PolarHBondContact O-N 2.91Å; E35-L37 VanDerWaalsContact C-N 3.33Å; E35-L37 PolarHBondContact O-N 3.49Å; E35-A39 HydrophobicContact CB-CB 4.5Å; E35-A39 WeakPolarHBondContact O-CB 3.4Å; E35-A39 PolarHBondContact O-N 3.49Å; E35-A39 VanDerWaalsContact O-N 3.1Å; E35-G50 VanDerWaalsContact OE1-CA 3.23Å; E35-G50 WeakPolarHBondContact OE1-CA 3.23Å; E35-C51 HydrophobicContact CG-CB 4.5Å; E35-C51 PolarHBondContact OE1-N 2.8Å; E35-C51 VanDerWaalsContact OE1-N 3.11Å
36N86.3Confident89.8Confident123 Ų12364.5 Ų64.566%0.65835%0.35SS*.Hα-helixtrans-67.3-30.9-179.8-76.1-9.3000114.2K32 C33 Y34K32-N36 WeakPolarHBondContact O-CB 3.45Å; K32-N36 VanDerWaalsContact O-CG 3.28Å; K32-N36 PolarHBondContact O-N 3.24Å; K32-N36 VanDerWaalsContact O-N 3.1Å; C33-N36 PolarHBondContact O-N 3.48Å; Y34-N36 PolarHBondContact O-N 3.1Å
37L86.1Confident90Very high68 Ų6862 Ų6236%0.35634%0.337SS..Hα-helixtrans-94.2-28.7-174.1-67.1169.5000112.9Y11 Y29 C33 Y34 E35Y11-L37 HydrophobicContact CD1-CD1 4.37Å; Y11-L37 HydrophobicContact CD2-CD1 3.68Å; Y11-L37 HydrophobicContact CD2-CD2 4.27Å; Y11-L37 HydrophobicContact CE2-CD1 4.19Å; Y11-L37 HydrophobicContact CE2-CD2 3.93Å; Y11-L37 HydrophobicContact CG-CD1 3.77Å; Y29-L37 HydrophobicContact CD1-CD1 4.1Å; Y29-L37 HydrophobicContact CE1-CD1 4.02Å; C33-L37 WeakPolarHBondContact O-CB 3.49Å; C33-L37 WeakPolarHBondContact O-CD1 3.03Å; C33-L37 WeakPolarHBondContact O-CG 3.07Å; C33-L37 PolarHBondContact O-N 3.39Å; Y34-L37 PolarHBondContact O-N 3.11Å; E35-L37 VanDerWaalsContact C-N 3.33Å; E35-L37 PolarHBondContact O-N 3.49Å
38F88.1Confident90Very high63 Ų6363.3 Ų63.328%0.27635%0.346SS..Hα-helixtrans-138.4-4.8-164.2-48.8-58.3000114.9K24 Y29 Y34 N40K24-F38 HydrophobicContact CD-CD1 4.19Å; K24-F38 HydrophobicContact CD-CD2 3.94Å; K24-F38 HydrophobicContact CD-CE1 4.18Å; K24-F38 HydrophobicContact CD-CE2 3.96Å; K24-F38 HydrophobicContact CD-CG 4.05Å; K24-F38 HydrophobicContact CD-CZ 4.07Å; K24-F38 VanDerWaalsContact NZ-CE1 3.31Å; Y29-F38 HydrophobicContact CD1-CE2 4.13Å; Y29-F38 HydrophobicContact CD2-CE2 4.13Å; Y29-F38 AromaticContact CE1-CE2 3.94Å; Y29-F38 HydrophobicContact CE1-CE2 3.94Å; Y29-F38 HydrophobicContact CE1-CZ 4.21Å; Y29-F38 AromaticContact CE2-CE2 3.93Å; Y29-F38 HydrophobicContact CE2-CE2 3.93Å; Y29-F38 HydrophobicContact CE2-CZ 4.36Å; Y29-F38 HydrophobicContact CG-CE2 4.24Å; Y29-F38 AromaticContact CZ-CE2 3.86Å; Y29-F38 AromaticContact CZ-CZ 3.98Å; Y34-F38 AromaticContact CD2-CD2 3.58Å; Y34-F38 HydrophobicContact CD2-CD2 3.58Å; Y34-F38 HydrophobicContact CD2-CE2 4.23Å; Y34-F38 HydrophobicContact CE1-CB 4.34Å; Y34-F38 HydrophobicContact CE2-CB 4.4Å; Y34-F38 AromaticContact CE2-CD2 3.82Å; Y34-F38 HydrophobicContact CE2-CD2 3.82Å; Y34-F38 HydrophobicContact CE2-CG 4.47Å; Y34-F38 HydrophobicContact CG-CD2 4.06Å; Y34-F38 WeakPolarHBondContact O-CB 3.31Å; Y34-F38 PolarHBondContact O-N 2.87Å; F38-N40 PolarHBondContact O-N 3.14Å
39A87.9Confident90Very high24 Ų2461.8 Ų61.820%0.19834%0.339CS..PPolyproline II helixtrans-66.8136.9176.500000110.8E35 P48 I49E35-A39 HydrophobicContact CB-CB 4.5Å; E35-A39 WeakPolarHBondContact O-CB 3.4Å; E35-A39 PolarHBondContact O-N 3.49Å; E35-A39 VanDerWaalsContact O-N 3.1Å; A39-P48 HydrophobicContact CB-CB 3.78Å; A39-I49 WeakPolarHBondContact CB-O 3.41Å
40N91.4Very high89.7Confident65 Ų6561 Ų6135%0.34834%0.338SS..PPolyproline II helixtrans-69.4143.1168.4-63.4-48.1000109.8F38 I49 D55 H62F38-N40 PolarHBondContact O-N 3.14Å; N40-I49 WeakPolarHBondContact O-CB 3.25Å; N40-I49 WeakPolarHBondContact O-CG1 3.3Å; N40-I49 PolarHBondContact O-N 3.12Å; N40-D55 PolarHBondContact ND2-OD2 2.9Å; N40-H62 HydrophobicContact CB-CB 3.77Å; N40-H62 VanDerWaalsContact CB-CG 3.46Å; N40-H62 VanDerWaalsContact CG-CE1 3.48Å; N40-H62 PolarHBondContact ND2-CE1 2.94Å; N40-H62 PolarHBondContact ND2-ND1 2.94Å
41C92.1Very high89Confident76 Ų7662.4 Ų62.451%0.51435%0.347SS..BIsolated β-bridgetrans-87.5138.2175.2-68.20000110.2E43C41-E43 PolarHBondContact O-N 2.89Å
42C93.4Very high88.7Confident2 Ų265.6 Ų65.61%0.01436%0.363CS..BIsolated β-bridgetrans-71.4130.4175.1176.10000111.2V44 S46 L47 I49 H62 H64 C67C42-V44 PolarHBondContact O-N 2.85Å; C42-V44 VanDerWaalsContact O-N 3.12Å; C42-S46 WeakPolarHBondContact O-CA 3.48Å; C42-S46 PolarHBondContact O-N 3.3Å; C42-L47 PolarHBondContact N-O 3.22Å; C42-I49 HydrophobicContact CB-CD1 4.21Å; C42-I49 HydrophobicContact CB-CG1 4.02Å; C42-H62 CarbonylContact C-O 3.5Å; C42-H62 VanDerWaalsContact CA-O 3.3Å; C42-H62 WeakPolarHBondContact CA-O 3.47Å; C42-H64 VanDerWaalsContact CB-CE1 3.48Å; C42-H64 WeakPolarHBondContact CB-CE1 3.42Å; C42-H64 WeakPolarHBondContact CB-ND1 3.28Å; C42-H64 PolarHBondContact SG-N 2.99Å; C42-H64 PolarHBondContact SG-ND1 3.2Å; C42-C67 VanDerWaalsContact SG-CB 3.5Å
43E92.8Very high88.5Confident106 Ų10665 Ų6550%0.49536%0.361SS..THydrogen-bonded Turntrans-60.5-26.1-178.4-161.763.1-147.800113.6C41 H61 H62 W63C41-E43 PolarHBondContact O-N 2.89Å; E43-H61 VanDerWaalsContact CD-ND1 3.25Å; E43-H61 IonicContact OE1-CE1 2.97Å; E43-H61 IonicContact OE1-ND1 3.77Å; E43-H61 IonicContact OE2-CE1 3.82Å; E43-H61 IonicContact OE2-CG 2.74Å; E43-H61 IonicContact OE2-ND1 2.76Å; E43-H61 PolarHBondContact OE2-ND1 2.75Å; E43-H62 PolarHBondContact N-O 3.33Å; E43-W63 HydrophobicContact CB-CD2 4.47Å; E43-W63 HydrophobicContact CB-CZ2 4.17Å; E43-W63 HydrophobicContact CG-CZ2 4.32Å
44V91.3Very high88.4Confident94 Ų9470.5 Ų70.557%0.5738%0.38SS*.THydrogen-bonded Turntrans-91.5-43-174.5176.10000112.6C42 C67C42-V44 PolarHBondContact O-N 2.85Å; C42-V44 VanDerWaalsContact O-N 3.12Å; V44-C67 HydrophobicContact CB-CB 3.95Å; V44-C67 HydrophobicContact CG1-CB 4.45Å; V44-C67 HydrophobicContact CG2-CB 4.14Å
45C93Very high88.5Confident49 Ų4970.5 Ų70.533%0.33138%0.384SS..THydrogen-bonded Turntrans-109.3-5.1-176.263.80000114L47 H64C45-L47 HydrophobicContact CB-CG 4.41Å; C45-L47 PolarHBondContact O-N 3.28Å; C45-H64 PolarHBondContact SG-CE1 3.02Å; C45-H64 PolarHBondContact SG-ND1 2.93Å
46S92.1Very high88.8Confident95 Ų9569.2 Ų69.266%0.66438%0.378SS*.  trans57.611.3-176.6-500000115.1C42C42-S46 WeakPolarHBondContact O-CA 3.48Å; C42-S46 PolarHBondContact O-N 3.3Å
47L91Very high89Confident107 Ų10767 Ų6756%0.5637%0.373SS*.  trans-86147.6176.3-63.2176.6000110.7C42 C45 I49C42-L47 PolarHBondContact N-O 3.22Å; C45-L47 HydrophobicContact CB-CG 4.41Å; C45-L47 PolarHBondContact O-N 3.28Å; L47-I49 PolarHBondContact O-N 3.5Å
48P90.2Very high89.2Confident65 Ų6568.1 Ų68.142%0.42237%0.373SS..BIsolated β-bridgetrans-64.3133.1176.326-33.3000111A39 G50A39-P48 HydrophobicContact CB-CB 3.78Å; P48-G50 PolarHBondContact O-N 2.97Å
49I91.2Very high89.2Confident8 Ų872 Ų724%0.04139%0.389CS..  trans-80.2102.4174.6-57.1169.4000107.3A39 N40 C42 L47 F53 D55 H62A39-I49 WeakPolarHBondContact CB-O 3.41Å; N40-I49 WeakPolarHBondContact O-CB 3.25Å; N40-I49 WeakPolarHBondContact O-CG1 3.3Å; N40-I49 PolarHBondContact O-N 3.12Å; C42-I49 HydrophobicContact CB-CD1 4.21Å; C42-I49 HydrophobicContact CB-CG1 4.02Å; L47-I49 PolarHBondContact O-N 3.5Å; I49-F53 HydrophobicContact CG2-CB 4.19Å; I49-D55 HydrophobicContact CG2-CB 4.11Å; I49-H62 HydrophobicContact CD1-CB 3.76Å
50G84.1Confident89.2Confident8 Ų878 Ų788%0.08242%0.418CS..  trans-60.4155-176.900000113E35 P48 N52 F53E35-G50 VanDerWaalsContact OE1-CA 3.23Å; E35-G50 WeakPolarHBondContact OE1-CA 3.23Å; P48-G50 PolarHBondContact O-N 2.97Å; G50-N52 PolarHBondContact O-N 2.84Å; G50-F53 PolarHBondContact O-N 3.48Å
51C77.4Confident89.2Confident49 Ų4977.5 Ų77.533%0.33141%0.414SS..THydrogen-bonded Turntrans-63.8-16.2-173.564.70000114.2I22 Y34 E35I22-C51 HydrophobicContact CD1-CB 3.42Å; I22-C51 VanDerWaalsContact CD1-CB 3.42Å; Y34-C51 HydrophobicContact CD1-CB 4.47Å; E35-C51 HydrophobicContact CG-CB 4.5Å; E35-C51 PolarHBondContact OE1-N 2.8Å; E35-C51 VanDerWaalsContact OE1-N 3.11Å
52N80.3Confident89.3Confident111 Ų11175.6 Ų75.659%0.59440%0.397SS*.THydrogen-bonded Turntrans-91.1-5.1178.1-59.5-53.8000113G50G50-N52 PolarHBondContact O-N 2.84Å
53F84.3Confident89.4Confident135 Ų13576.1 Ų76.159%0.59240%0.399SS*.SBendtrans-103.8148.2-179.6-61.8-77000110.5I49 G50 D55I49-F53 HydrophobicContact CG2-CB 4.19Å; G50-F53 PolarHBondContact O-N 3.48Å; F53-D55 PolarHBondContact O-N 3.29Å; F53-D55 VanDerWaalsContact O-N 3.16Å
54R87.3Confident89.5Confident125 Ų12572.8 Ų72.847%0.47238%0.383SS..  trans-69.8111.9174.6-170.9175.5179.5-179.20.1108.8L56 E79R54-L56 HydrophobicContact CG-CD2 4.09Å; R54-L56 PolarHBondContact O-N 2.84Å; R54-E79 IonicContact CZ-OE1 2.63Å; R54-E79 IonicContact NH1-OE1 3.51Å; R54-E79 PolarHBondContact NH1-OE1 3.07Å; R54-E79 IonicContact NH2-OE1 3.43Å; R54-E79 PolarHBondContact NH2-OE1 3.31Å
55D90.8Very high89.6Confident59 Ų5973.1 Ų73.132%0.31638%0.379SS..EExtended strand (participates in β ladder)trans-78109171.2-175.90.5000109.1N40 I49 F53 H62N40-D55 PolarHBondContact ND2-OD2 2.9Å; I49-D55 HydrophobicContact CG2-CB 4.11Å; F53-D55 PolarHBondContact O-N 3.29Å; F53-D55 VanDerWaalsContact O-N 3.16Å; D55-H62 VanDerWaalsContact CG-ND1 3.26Å; D55-H62 IonicContact OD1-CE1 2.83Å; D55-H62 IonicContact OD1-CG 3.98Å; D55-H62 IonicContact OD1-ND1 3.78Å; D55-H62 PolarHBondContact OD1-ND1 2.81Å; D55-H62 IonicContact OD2-CE1 3.8Å; D55-H62 IonicContact OD2-CG 3.97Å; D55-H62 IonicContact OD2-ND1 3.68Å; D55-H62 PolarHBondContact OD2-ND1 3Å
56L92.9Very high89.6Confident22 Ų2278 Ų7812%0.11540%0.397CS..EExtended strand (participates in β ladder)trans-92119173.6-62.5176.1000108.3R54 H62 W63 E65 F68 V78R54-L56 HydrophobicContact CG-CD2 4.09Å; R54-L56 PolarHBondContact O-N 2.84Å; L56-H62 CarbonylContact O-C 3.51Å; L56-H62 WeakPolarHBondContact O-CA 3.48Å; L56-W63 PolarHBondContact N-O 2.83Å; L56-W63 VanDerWaalsContact N-O 3.16Å; L56-W63 PolarHBondContact O-N 3.1Å; L56-E65 HydrophobicContact CD1-CB 4.38Å; L56-E65 HydrophobicContact CD1-CG 4.41Å; L56-F68 HydrophobicContact CB-CD2 4.37Å; L56-F68 HydrophobicContact CB-CG 4.4Å; L56-F68 HydrophobicContact CD1-CB 3.59Å; L56-F68 HydrophobicContact CD1-CD1 3.97Å; L56-F68 HydrophobicContact CD1-CG 3.8Å; L56-V78 HydrophobicContact CD1-CG1 4.37Å; L56-V78 HydrophobicContact CD1-CG2 3.69Å
57S92.1Very high89.7Confident77 Ų7774.8 Ų74.854%0.53837%0.374SS..EExtended strand (participates in β ladder)trans-117.2146.2179.662.40000112.5H61S57-H61 VanDerWaalsContact CA-O 3.28Å; S57-H61 WeakPolarHBondContact CA-O 3.46Å
58Y89.5Confident89.9Confident90 Ų9070.2 Ų70.235%0.35335%0.349SS..EExtended strand (participates in β ladder)trans-145.9119.5169.4176.1-101.4000108.5D60 H61 F82 A84Y58-D60 PolarHBondContact O-N 3.43Å; Y58-H61 PolarHBondContact N-O 2.84Å; Y58-H61 PolarHBondContact O-N 3.12Å; Y58-F82 HydrophobicContact CD1-CE2 4.23Å; Y58-F82 HydrophobicContact CD1-CZ 4.44Å; Y58-F82 HydrophobicContact CD2-CE2 4.06Å; Y58-F82 AromaticContact CD2-CZ 3.58Å; Y58-F82 HydrophobicContact CD2-CZ 3.58Å; Y58-F82 HydrophobicContact CE1-CE2 4.38Å; Y58-F82 HydrophobicContact CE2-CE2 4.21Å; Y58-F82 HydrophobicContact CE2-CZ 4.01Å; Y58-F82 HydrophobicContact CG-CE2 4.06Å; Y58-F82 AromaticContact CG-CZ 3.82Å; Y58-F82 HydrophobicContact CG-CZ 3.82Å; Y58-A84 HydrophobicContact CD1-CB 4.31Å; Y58-A84 HydrophobicContact CE1-CB 3.51Å
59K87.8Confident90.2Very high144 Ų14471.7 Ų71.763%0.62635%0.349SS*.THydrogen-bonded Turntrans54.4-128.3-162.1-55.6177.4178.61770109.3
60D88.9Confident90.4Very high151 Ų15171.4 Ų71.481%0.80735%0.348SS*.THydrogen-bonded Turntrans-100.716-178.4-56.7-50.2000113.1Y58Y58-D60 PolarHBondContact O-N 3.43Å
61H91.8Very high90.8Very high54 Ų5473.9 Ų73.925%0.2537%0.367CS..EExtended strand (participates in β ladder)trans-107.8147.4178.3-64.9-81.3000111.1E43 S57 Y58 W63E43-H61 VanDerWaalsContact CD-ND1 3.25Å; E43-H61 IonicContact OE1-CE1 2.97Å; E43-H61 IonicContact OE1-ND1 3.77Å; E43-H61 IonicContact OE2-CE1 3.82Å; E43-H61 IonicContact OE2-CG 2.74Å; E43-H61 IonicContact OE2-ND1 2.76Å; E43-H61 PolarHBondContact OE2-ND1 2.75Å; S57-H61 VanDerWaalsContact CA-O 3.28Å; S57-H61 WeakPolarHBondContact CA-O 3.46Å; Y58-H61 PolarHBondContact N-O 2.84Å; Y58-H61 PolarHBondContact O-N 3.12Å; H61-W63 VanDerWaalsContact C-CZ3 3.45Å; H61-W63 HydrophobicContact CB-CE3 4.35Å; H61-W63 HydrophobicContact CB-CH2 3.15Å; H61-W63 HydrophobicContact CB-CZ2 3.75Å; H61-W63 HydrophobicContact CB-CZ3 3.49Å; H61-W63 VanDerWaalsContact CB-CZ3 3.49Å; H61-W63 WeakPolarHBondContact O-CZ3 3.5Å
62H94.2Very high91.6Very high36 Ų3677.1 Ų77.117%0.16738%0.376CS..EExtended strand (participates in β ladder)trans-129.2143.3-171.6-67.8-92.6000111.5N40 C42 E43 I49 D55 L56N40-H62 HydrophobicContact CB-CB 3.77Å; N40-H62 VanDerWaalsContact CB-CG 3.46Å; N40-H62 VanDerWaalsContact CG-CE1 3.48Å; N40-H62 PolarHBondContact ND2-CE1 2.94Å; N40-H62 PolarHBondContact ND2-ND1 2.94Å; C42-H62 CarbonylContact C-O 3.5Å; C42-H62 VanDerWaalsContact CA-O 3.3Å; C42-H62 WeakPolarHBondContact CA-O 3.47Å; E43-H62 PolarHBondContact N-O 3.33Å; I49-H62 HydrophobicContact CD1-CB 3.76Å; D55-H62 VanDerWaalsContact CG-ND1 3.26Å; D55-H62 IonicContact OD1-CE1 2.83Å; D55-H62 IonicContact OD1-CG 3.98Å; D55-H62 IonicContact OD1-ND1 3.78Å; D55-H62 PolarHBondContact OD1-ND1 2.81Å; D55-H62 IonicContact OD2-CE1 3.8Å; D55-H62 IonicContact OD2-CG 3.97Å; D55-H62 IonicContact OD2-ND1 3.68Å; D55-H62 PolarHBondContact OD2-ND1 3Å; L56-H62 CarbonylContact O-C 3.51Å; L56-H62 WeakPolarHBondContact O-CA 3.48Å
63W94.9Very high92.3Very high14 Ų1474 Ų745%0.05336%0.363CS..EExtended strand (participates in β ladder)trans-140143.2-179.5-64.2-96.1000112.2E43 L56 H61 C67 F68 L89E43-W63 HydrophobicContact CB-CD2 4.47Å; E43-W63 HydrophobicContact CB-CZ2 4.17Å; E43-W63 HydrophobicContact CG-CZ2 4.32Å; L56-W63 PolarHBondContact N-O 2.83Å; L56-W63 VanDerWaalsContact N-O 3.16Å; L56-W63 PolarHBondContact O-N 3.1Å; H61-W63 VanDerWaalsContact C-CZ3 3.45Å; H61-W63 HydrophobicContact CB-CE3 4.35Å; H61-W63 HydrophobicContact CB-CH2 3.15Å; H61-W63 HydrophobicContact CB-CZ2 3.75Å; H61-W63 HydrophobicContact CB-CZ3 3.49Å; H61-W63 VanDerWaalsContact CB-CZ3 3.49Å; H61-W63 WeakPolarHBondContact O-CZ3 3.5Å; W63-C67 HydrophobicContact CB-CB 4.48Å; W63-F68 HydrophobicContact CB-CB 4.01Å; W63-F68 HydrophobicContact CB-CD2 3.85Å; W63-F68 HydrophobicContact CB-CG 4.42Å; W63-F68 AromaticContact CD2-CD2 3.75Å; W63-F68 HydrophobicContact CD2-CD2 3.75Å; W63-F68 HydrophobicContact CD2-CE2 4.14Å; W63-F68 AromaticContact CE3-CD2 3.8Å; W63-F68 HydrophobicContact CE3-CD2 3.8Å; W63-F68 AromaticContact CE3-CE2 3.8Å; W63-F68 HydrophobicContact CE3-CE2 3.8Å; W63-F68 AromaticContact CG-CD2 3.79Å; W63-F68 HydrophobicContact CG-CD2 3.79Å; W63-F68 HydrophobicContact CZ3-CE2 4.15Å; W63-L89 HydrophobicContact CD2-CD1 4.23Å; W63-L89 HydrophobicContact CH2-CD1 4.14Å; W63-L89 HydrophobicContact CH2-CD2 4.43Å; W63-L89 HydrophobicContact CZ2-CD1 3.73Å; W63-L89 HydrophobicContact CZ2-CG 4.19Å
64H94.4Very high92.8Very high35 Ų3571.6 Ų71.616%0.16236%0.362CS..EExtended strand (participates in β ladder)trans-60149.1157.4-62.5109.4000110C42 C45 Q66 C67 F68C42-H64 VanDerWaalsContact CB-CE1 3.48Å; C42-H64 WeakPolarHBondContact CB-CE1 3.42Å; C42-H64 WeakPolarHBondContact CB-ND1 3.28Å; C42-H64 PolarHBondContact SG-N 2.99Å; C42-H64 PolarHBondContact SG-ND1 3.2Å; C45-H64 PolarHBondContact SG-CE1 3.02Å; C45-H64 PolarHBondContact SG-ND1 2.93Å; H64-Q66 PolarHBondContact O-N 3.39Å; H64-Q66 VanDerWaalsContact O-N 3.12Å; H64-C67 HydrophobicContact CB-CB 4Å; H64-C67 CarbonylContact O-C 3.59Å; H64-C67 WeakPolarHBondContact O-CA 3.01Å; H64-C67 WeakPolarHBondContact O-CB 3.25Å; H64-C67 PolarHBondContact O-N 2.78Å; H64-F68 PolarHBondContact O-N 3.03Å
65E92.9Very high93.1Very high101 Ų10172.2 Ų72.247%0.47237%0.365SS..THydrogen-bonded Turntrans-50.7-39.4172.5-166.6-178.8154.900112.7L56 C67 V78L56-E65 HydrophobicContact CD1-CB 4.38Å; L56-E65 HydrophobicContact CD1-CG 4.41Å; E65-C67 VanDerWaalsContact C-N 3.31Å; E65-C67 PolarHBondContact O-N 2.98Å; E65-V78 HydrophobicContact CG-CG1 4.26Å; E65-V78 HydrophobicContact CG-CG2 3.67Å
66Q92.8Very high93.4Very high152 Ų15271.6 Ų71.671%0.7137%0.365SS*.THydrogen-bonded Turntrans-75.7-18.3178.6-53.7-179.824.600113.6H64 K69H64-Q66 PolarHBondContact O-N 3.39Å; H64-Q66 VanDerWaalsContact O-N 3.12Å; Q66-K69 WeakPolarHBondContact O-CD 3.37Å; Q66-K69 WeakPolarHBondContact O-CE 3.22Å; Q66-K69 PolarHBondContact O-NZ 2.95Å
67C94.2Very high93.5Very high27 Ų2770.7 Ų70.718%0.18236%0.36CS..THydrogen-bonded Turntrans-96.5-18.2179.6-67.90000112.2C42 V44 W63 H64 E65 K69C42-C67 VanDerWaalsContact SG-CB 3.5Å; V44-C67 HydrophobicContact CB-CB 3.95Å; V44-C67 HydrophobicContact CG1-CB 4.45Å; V44-C67 HydrophobicContact CG2-CB 4.14Å; W63-C67 HydrophobicContact CB-CB 4.48Å; H64-C67 HydrophobicContact CB-CB 4Å; H64-C67 CarbonylContact O-C 3.59Å; H64-C67 WeakPolarHBondContact O-CA 3.01Å; H64-C67 WeakPolarHBondContact O-CB 3.25Å; H64-C67 PolarHBondContact O-N 2.78Å; E65-C67 VanDerWaalsContact C-N 3.31Å; E65-C67 PolarHBondContact O-N 2.98Å; C67-K69 VanDerWaalsContact C-N 3.27Å; C67-K69 PolarHBondContact O-N 2.89Å
68F95.6Very high93.6Very high12 Ų1267.9 Ų67.95%0.05334%0.34CS..  trans-77.375.1178.8-161.1-106.1000111.6L56 W63 H64 L77 V78 F82 L89L56-F68 HydrophobicContact CB-CD2 4.37Å; L56-F68 HydrophobicContact CB-CG 4.4Å; L56-F68 HydrophobicContact CD1-CB 3.59Å; L56-F68 HydrophobicContact CD1-CD1 3.97Å; L56-F68 HydrophobicContact CD1-CG 3.8Å; W63-F68 HydrophobicContact CB-CB 4.01Å; W63-F68 HydrophobicContact CB-CD2 3.85Å; W63-F68 HydrophobicContact CB-CG 4.42Å; W63-F68 AromaticContact CD2-CD2 3.75Å; W63-F68 HydrophobicContact CD2-CD2 3.75Å; W63-F68 HydrophobicContact CD2-CE2 4.14Å; W63-F68 AromaticContact CE3-CD2 3.8Å; W63-F68 HydrophobicContact CE3-CD2 3.8Å; W63-F68 AromaticContact CE3-CE2 3.8Å; W63-F68 HydrophobicContact CE3-CE2 3.8Å; W63-F68 AromaticContact CG-CD2 3.79Å; W63-F68 HydrophobicContact CG-CD2 3.79Å; W63-F68 HydrophobicContact CZ3-CE2 4.15Å; H64-F68 PolarHBondContact O-N 3.03Å; F68-L77 HydrophobicContact CD1-CB 3.62Å; F68-L77 HydrophobicContact CE1-CB 3.58Å; F68-L77 PolarHBondContact O-N 2.6Å; F68-V78 HydrophobicContact CB-CG2 4.38Å; F68-V78 HydrophobicContact CD1-CG2 4.32Å; F68-F82 HydrophobicContact CE1-CD1 4.31Å; F68-F82 HydrophobicContact CE1-CE1 4.24Å; F68-F82 HydrophobicContact CZ-CD1 4.15Å; F68-F82 AromaticContact CZ-CE1 3.77Å; F68-F82 HydrophobicContact CZ-CE1 3.77Å; F68-F82 HydrophobicContact CZ-CE2 4.44Å; F68-F82 AromaticContact CZ-CZ 3.92Å; F68-F82 HydrophobicContact CZ-CZ 3.92Å; F68-L89 HydrophobicContact CD2-CD1 3.61Å; F68-L89 HydrophobicContact CE2-CD1 3.37Å; F68-L89 HydrophobicContact CZ-CD1 4.08Å
69K96.1Very high93.6Very high95 Ų9571.2 Ų71.241%0.41336%0.359SS..BIsolated β-bridgetrans-128.5156.2-171.5-71.8170.6171.3156.40111.6Q66 C67 A71 S74 R75Q66-K69 WeakPolarHBondContact O-CD 3.37Å; Q66-K69 WeakPolarHBondContact O-CE 3.22Å; Q66-K69 PolarHBondContact O-NZ 2.95Å; C67-K69 VanDerWaalsContact C-N 3.27Å; C67-K69 PolarHBondContact O-N 2.89Å; K69-A71 PolarHBondContact O-N 2.84Å; K69-S74 WeakPolarHBondContact CD-O 3.4Å; K69-R75 CarbonylContact C-O 3.58Å; K69-R75 WeakPolarHBondContact CA-O 3.38Å
70C95.6Very high93.7Very high2 Ų270.3 Ų70.31%0.01436%0.355CS..  trans-64.1126172.21780000110.5K72 C73 S74 R75 L77 L89 C91C70-K72 PolarHBondContact O-N 3.12Å; C70-K72 VanDerWaalsContact O-N 3.1Å; C70-C73 VanDerWaalsContact CB-SG 3.54Å; C70-S74 VanDerWaalsContact O-CA 3.25Å; C70-S74 WeakPolarHBondContact O-CA 2.9Å; C70-S74 PolarHBondContact O-N 3.16Å; C70-R75 PolarHBondContact N-O 3.46Å; C70-L77 HydrophobicContact CB-CD1 4.49Å; C70-L77 HydrophobicContact CB-CD2 4.16Å; C70-L77 HydrophobicContact CB-CG 4.4Å; C70-L89 CarbonylContact C-O 3.59Å; C70-L89 WeakPolarHBondContact CA-O 3.43Å; C70-C91 HydrophobicContact CB-CB 4.14Å; C70-C91 PolarHBondContact SG-N 3.23Å
71A94Very high93.8Very high60 Ų6066.7 Ų66.750%0.49635%0.346SS..THydrogen-bonded Turntrans-60.5-21.1179.900000113.9K69 L88 L89 L90K69-A71 PolarHBondContact O-N 2.84Å; A71-L88 HydrophobicContact CB-CB 4.38Å; A71-L88 HydrophobicContact CB-CD2 4.14Å; A71-L89 PolarHBondContact N-O 2.84Å; A71-L90 HydrophobicContact CB-CD2 4.22Å
72K93.1Very high93.8Very high118 Ų11867 Ų6751%0.51335%0.347SS..THydrogen-bonded Turntrans-96.8-45.4179.6-77.9-159.7172.3-158.50115C70 L90 C94 D98C70-K72 PolarHBondContact O-N 3.12Å; C70-K72 VanDerWaalsContact O-N 3.1Å; K72-L90 HydrophobicContact CB-CD2 4.24Å; K72-L90 HydrophobicContact CD-CD2 4.41Å; K72-L90 HydrophobicContact CG-CD2 3.84Å; K72-C94 HydrophobicContact CB-CB 4.22Å; K72-C94 HydrophobicContact CD-CB 4.47Å; K72-D98 VanDerWaalsContact CD-OD2 3.25Å; K72-D98 WeakPolarHBondContact CD-OD2 3.35Å; K72-D98 WeakPolarHBondContact CE-OD2 3.33Å; K72-D98 IonicContact NZ-OD1 2.63Å; K72-D98 PolarHBondContact NZ-OD1 3.48Å; K72-D98 VanDerWaalsContact NZ-OD1 3.14Å; K72-D98 IonicContact NZ-OD2 3.35Å; K72-D98 PolarHBondContact NZ-OD2 3.05Å
73C94.8Very high93.6Very high46 Ų4666.2 Ų66.231%0.31135%0.346SS..THydrogen-bonded Turntrans-111.5-0-172.770.50000113.8C70 R75C70-C73 VanDerWaalsContact CB-SG 3.54Å; C73-R75 PolarHBondContact O-N 3.41Å
74S94.6Very high93.4Very high84 Ų8467.5 Ų67.559%0.58736%0.36SS*.  trans58.69.1178.7-54.70000115.6K69 C70K69-S74 WeakPolarHBondContact CD-O 3.4Å; C70-S74 VanDerWaalsContact O-CA 3.25Å; C70-S74 WeakPolarHBondContact O-CA 2.9Å; C70-S74 PolarHBondContact O-N 3.16Å
75R95.3Very high93Very high137 Ų13769 Ų6952%0.51737%0.366SS..  trans-68.4140174.3-67.7-175.8-172.5160.46110.1K69 C70 C73 L77 E93K69-R75 CarbonylContact C-O 3.58Å; K69-R75 WeakPolarHBondContact CA-O 3.38Å; C70-R75 PolarHBondContact N-O 3.46Å; C73-R75 PolarHBondContact O-N 3.41Å; R75-L77 PolarHBondContact O-N 3.16Å; R75-E93 IonicContact CZ-OE2 3.68Å; R75-E93 IonicContact NH1-OE1 2.84Å; R75-E93 IonicContact NH1-OE2 3.88Å; R75-E93 PolarHBondContact NH1-OE2 3.06Å
76S95.7Very high92.7Very high47 Ų4771.5 Ų71.533%0.32938%0.378SS..BIsolated β-bridgetrans-59.4131.7173.3169.80000111.1V78 K80S76-V78 VanDerWaalsContact OG-CG2 3.26Å; S76-V78 WeakPolarHBondContact OG-CG2 3.42Å; S76-V78 PolarHBondContact OG-N 3.22Å; S76-K80 WeakPolarHBondContact O-CD 3.43Å; S76-K80 PolarHBondContact O-NZ 2.93Å; S76-K80 VanDerWaalsContact O-NZ 3.13Å
77L95.4Very high92.3Very high3 Ų370.2 Ų70.22%0.01638%0.375CS..  trans-99.10.5177.3-63.2177.3000112.7F68 C70 R75 E79 K80 F82 L89 C91F68-L77 HydrophobicContact CD1-CB 3.62Å; F68-L77 HydrophobicContact CE1-CB 3.58Å; F68-L77 PolarHBondContact O-N 2.6Å; C70-L77 HydrophobicContact CB-CD1 4.49Å; C70-L77 HydrophobicContact CB-CD2 4.16Å; C70-L77 HydrophobicContact CB-CG 4.4Å; R75-L77 PolarHBondContact O-N 3.16Å; L77-E79 PolarHBondContact O-N 3.14Å; L77-K80 PolarHBondContact O-N 3.48Å; L77-F82 HydrophobicContact CD1-CB 3.99Å; L77-F82 HydrophobicContact CD2-CB 4.12Å; L77-F82 HydrophobicContact CG-CB 4.45Å; L77-L89 HydrophobicContact CD1-CB 3.65Å; L77-C91 HydrophobicContact CD2-CB 3.63Å
78V94.3Very high92.1Very high18 Ų1873.2 Ų73.211%0.10939%0.389CS..THydrogen-bonded Turntrans-56.2124.8-179.6-176.70000109.2L56 E65 F68 S76 K80L56-V78 HydrophobicContact CD1-CG1 4.37Å; L56-V78 HydrophobicContact CD1-CG2 3.69Å; E65-V78 HydrophobicContact CG-CG1 4.26Å; E65-V78 HydrophobicContact CG-CG2 3.67Å; F68-V78 HydrophobicContact CB-CG2 4.38Å; F68-V78 HydrophobicContact CD1-CG2 4.32Å; S76-V78 VanDerWaalsContact OG-CG2 3.26Å; S76-V78 WeakPolarHBondContact OG-CG2 3.42Å; S76-V78 PolarHBondContact OG-N 3.22Å; V78-K80 PolarHBondContact O-N 3.41Å
79E89.3Confident92Very high160 Ų16073.1 Ų73.175%0.74839%0.389SS*.THydrogen-bonded Turntrans58.416.6-179.4-62.7173-178.600115R54 L77R54-E79 IonicContact CZ-OE1 2.63Å; R54-E79 IonicContact NH1-OE1 3.51Å; R54-E79 PolarHBondContact NH1-OE1 3.07Å; R54-E79 IonicContact NH2-OE1 3.43Å; R54-E79 PolarHBondContact NH2-OE1 3.31Å; L77-E79 PolarHBondContact O-N 3.14Å
80K90.7Very high91.9Very high124 Ų12468.8 Ų68.854%0.53937%0.37SS..SBendtrans-111.2151.4176.1-65.7176.1-167.3164.20110.4S76 L77 V78 F82S76-K80 WeakPolarHBondContact O-CD 3.43Å; S76-K80 PolarHBondContact O-NZ 2.93Å; S76-K80 VanDerWaalsContact O-NZ 3.13Å; L77-K80 PolarHBondContact O-N 3.48Å; V78-K80 PolarHBondContact O-N 3.41Å; K80-F82 PolarHBondContact O-N 2.87Å
81A90.3Very high91.7Very high75 Ų7569.3 Ų69.362%0.6237%0.374SS*.  trans-61.5137.5168.300000110.3T92A81-T92 HydrophobicContact CB-CG2 3.89Å
82F92.2Very high91.5Very high61 Ų6169.2 Ų69.227%0.26837%0.368SS..EExtended strand (participates in β ladder)trans-141.9165.8178.268-88.1000110.3Y58 F68 L77 K80 A84 L89 L90Y58-F82 HydrophobicContact CD1-CE2 4.23Å; Y58-F82 HydrophobicContact CD1-CZ 4.44Å; Y58-F82 HydrophobicContact CD2-CE2 4.06Å; Y58-F82 AromaticContact CD2-CZ 3.58Å; Y58-F82 HydrophobicContact CD2-CZ 3.58Å; Y58-F82 HydrophobicContact CE1-CE2 4.38Å; Y58-F82 HydrophobicContact CE2-CE2 4.21Å; Y58-F82 HydrophobicContact CE2-CZ 4.01Å; Y58-F82 HydrophobicContact CG-CE2 4.06Å; Y58-F82 AromaticContact CG-CZ 3.82Å; Y58-F82 HydrophobicContact CG-CZ 3.82Å; F68-F82 HydrophobicContact CE1-CD1 4.31Å; F68-F82 HydrophobicContact CE1-CE1 4.24Å; F68-F82 HydrophobicContact CZ-CD1 4.15Å; F68-F82 AromaticContact CZ-CE1 3.77Å; F68-F82 HydrophobicContact CZ-CE1 3.77Å; F68-F82 HydrophobicContact CZ-CE2 4.44Å; F68-F82 AromaticContact CZ-CZ 3.92Å; F68-F82 HydrophobicContact CZ-CZ 3.92Å; L77-F82 HydrophobicContact CD1-CB 3.99Å; L77-F82 HydrophobicContact CD2-CB 4.12Å; L77-F82 HydrophobicContact CG-CB 4.45Å; K80-F82 PolarHBondContact O-N 2.87Å; F82-A84 HydrophobicContact CE2-CB 4.46Å; F82-L89 HydrophobicContact CD2-CD2 3.84Å; F82-L89 HydrophobicContact CE2-CD2 3.67Å; F82-L90 WeakPolarHBondContact CA-O 3.37Å; F82-L90 WeakPolarHBondContact CB-O 3.4Å
83A90.1Very high91.2Very high20 Ų2069.3 Ų69.317%0.16537%0.37CS..EExtended strand (participates in β ladder)trans-117.9134.6171.200000109.1L90 Y95A83-L90 PolarHBondContact N-O 3.03Å; A83-L90 PolarHBondContact O-N 3.34Å; A83-Y95 HydrophobicContact CB-CD1 3.9Å; A83-Y95 HydrophobicContact CB-CD2 3.49Å; A83-Y95 VanDerWaalsContact CB-CD2 3.49Å; A83-Y95 HydrophobicContact CB-CE1 4.29Å; A83-Y95 HydrophobicContact CB-CE2 3.95Å; A83-Y95 HydrophobicContact CB-CG 3.49Å; A83-Y95 VanDerWaalsContact CB-CG 3.49Å
84A90.6Very high91Very high40 Ų4068.1 Ų68.133%0.33136%0.362SS..EExtended strand (participates in β ladder)trans-102.5119.4170.800000108.8Y58 F82 L88 L89Y58-A84 HydrophobicContact CD1-CB 4.31Å; Y58-A84 HydrophobicContact CE1-CB 3.51Å; F82-A84 HydrophobicContact CE2-CB 4.46Å; A84-L88 WeakPolarHBondContact CA-O 3.25Å; A84-L89 HydrophobicContact CB-CD2 4.23Å
85K86.1Confident90.7Very high66 Ų6667.1 Ų67.129%0.28735%0.346SS..EExtended strand (participates in β ladder)trans-134.2122.6176.3-177179.9178.1-173.60109D87 L88 Y95 Y99K85-D87 PolarHBondContact O-N 2.86Å; K85-L88 PolarHBondContact N-O 3.3Å; K85-L88 WeakPolarHBondContact O-CB 3.17Å; K85-L88 PolarHBondContact O-N 2.9Å; K85-Y95 HydrophobicContact CB-CE2 4.2Å; K85-Y95 HydrophobicContact CD-CE2 4.18Å; K85-Y99 HydrophobicContact CD-CD1 4.48Å; K85-Y99 HydrophobicContact CD-CD2 4.4Å; K85-Y99 HydrophobicContact CD-CE1 4.11Å; K85-Y99 HydrophobicContact CD-CE2 4.01Å; K85-Y99 VanDerWaalsContact NZ-CD1 3.33Å
86E86.3Confident90.1Very high155 Ų15560.8 Ų60.872%0.72432%0.323SS*.THydrogen-bonded Turntrans50.246.7-179-63.7161-152.500110.9L88E86-L88 PolarHBondContact O-N 3.46Å
87D84.3Confident89.5Confident124 Ų12465.5 Ų65.566%0.66334%0.339SS*.THydrogen-bonded Turntrans62.23.4-178.1-50.3-40.9000116.3K85K85-D87 PolarHBondContact O-N 2.86Å
88L90.1Very high88.8Confident90 Ų9068 Ų6847%0.47135%0.352SS..EExtended strand (participates in β ladder)trans-86.6126170.6-60.6174.4000111.2A71 A84 K85 E86A71-L88 HydrophobicContact CB-CB 4.38Å; A71-L88 HydrophobicContact CB-CD2 4.14Å; A84-L88 WeakPolarHBondContact CA-O 3.25Å; K85-L88 PolarHBondContact N-O 3.3Å; K85-L88 WeakPolarHBondContact O-CB 3.17Å; K85-L88 PolarHBondContact O-N 2.9Å; E86-L88 PolarHBondContact O-N 3.46Å
89L93.2Very high88.1Confident11 Ų1171.8 Ų71.86%0.05837%0.365CS..EExtended strand (participates in β ladder)trans-82.7120.1170.9-58.2178.9000110.2W63 F68 C70 A71 L77 F82 A84W63-L89 HydrophobicContact CD2-CD1 4.23Å; W63-L89 HydrophobicContact CH2-CD1 4.14Å; W63-L89 HydrophobicContact CH2-CD2 4.43Å; W63-L89 HydrophobicContact CZ2-CD1 3.73Å; W63-L89 HydrophobicContact CZ2-CG 4.19Å; F68-L89 HydrophobicContact CD2-CD1 3.61Å; F68-L89 HydrophobicContact CE2-CD1 3.37Å; F68-L89 HydrophobicContact CZ-CD1 4.08Å; C70-L89 CarbonylContact C-O 3.59Å; C70-L89 WeakPolarHBondContact CA-O 3.43Å; A71-L89 PolarHBondContact N-O 2.84Å; L77-L89 HydrophobicContact CD1-CB 3.65Å; F82-L89 HydrophobicContact CD2-CD2 3.84Å; F82-L89 HydrophobicContact CE2-CD2 3.67Å; A84-L89 HydrophobicContact CB-CD2 4.23Å
90L93.6Very high87.7Confident3 Ų365.2 Ų65.22%0.01634%0.338CS..EExtended strand (participates in β ladder)trans-121.5137.3179.4-64.1173.6000110.5A71 K72 F82 A83 Y95 Y99A71-L90 HydrophobicContact CB-CD2 4.22Å; K72-L90 HydrophobicContact CB-CD2 4.24Å; K72-L90 HydrophobicContact CD-CD2 4.41Å; K72-L90 HydrophobicContact CG-CD2 3.84Å; F82-L90 WeakPolarHBondContact CA-O 3.37Å; F82-L90 WeakPolarHBondContact CB-O 3.4Å; A83-L90 PolarHBondContact N-O 3.03Å; A83-L90 PolarHBondContact O-N 3.34Å; L90-Y95 HydrophobicContact CD1-CD2 4.06Å; L90-Y99 HydrophobicContact CD1-CE2 3.74Å
91C92.6Very high87.5Confident14 Ų1461 Ų6110%0.09532%0.324CS..EExtended strand (participates in β ladder)trans-65.3155.5167.770.60000109.9C70 L77 E93 C94 Y95C70-C91 HydrophobicContact CB-CB 4.14Å; C70-C91 PolarHBondContact SG-N 3.23Å; L77-C91 HydrophobicContact CD2-CB 3.63Å; C91-E93 PolarHBondContact O-N 2.96Å; C91-E93 VanDerWaalsContact O-N 3.17Å; C91-C94 PolarHBondContact O-N 3.37Å; C91-C94 VanDerWaalsContact O-N 3.15Å; C91-C94 PolarHBondContact SG-N 2.88Å; C91-C94 VanDerWaalsContact SG-N 3.37Å; C91-C94 PolarHBondContact SG-SG 3.37Å; C91-Y95 WeakPolarHBondContact O-CB 3.46Å; C91-Y95 PolarHBondContact O-N 3.32Å
92T88.4Confident87.4Confident58 Ų5864.7 Ų64.736%0.35633%0.325SS..Hα-helixtrans-55-35.5-179.750.70000112.8A81 A96A81-T92 HydrophobicContact CB-CG2 3.89Å; T92-A96 WeakPolarHBondContact O-CB 3.26Å; T92-A96 PolarHBondContact O-N 2.74Å
93E87.1Confident87.4Confident120 Ų12061.8 Ų61.856%0.56131%0.313SS*.Hα-helixtrans-65.5-50176.2-67.8171.6-16500112.7R75 C91 A96 H97R75-E93 IonicContact CZ-OE2 3.68Å; R75-E93 IonicContact NH1-OE1 2.84Å; R75-E93 IonicContact NH1-OE2 3.88Å; R75-E93 PolarHBondContact NH1-OE2 3.06Å; C91-E93 PolarHBondContact O-N 2.96Å; C91-E93 VanDerWaalsContact O-N 3.17Å; E93-A96 PolarHBondContact O-N 2.76Å; E93-H97 WeakPolarHBondContact O-CB 3.07Å; E93-H97 PolarHBondContact O-N 3.17Å
94C90.2Very high87.5Confident21 Ų2163.6 Ų63.614%0.14232%0.32CS..Hα-helixtrans-66.3-43.6179.2-71.90000111.2K72 C91 A96 H97 D98K72-C94 HydrophobicContact CB-CB 4.22Å; K72-C94 HydrophobicContact CD-CB 4.47Å; C91-C94 PolarHBondContact O-N 3.37Å; C91-C94 VanDerWaalsContact O-N 3.15Å; C91-C94 PolarHBondContact SG-N 2.88Å; C91-C94 VanDerWaalsContact SG-N 3.37Å; C91-C94 PolarHBondContact SG-SG 3.37Å; C94-A96 VanDerWaalsContact C-N 3.29Å; C94-A96 PolarHBondContact O-N 3.09Å; C94-H97 PolarHBondContact O-N 3.21Å; C94-D98 PolarHBondContact O-N 3.15Å
95Y88.9Confident87.5Confident62 Ų6265.6 Ų65.624%0.24333%0.328CS..Hα-helixtrans-59.9-42.9174.9-172.6-100.3000111.2A83 K85 L90 C91 Y99 P112A83-Y95 HydrophobicContact CB-CD1 3.9Å; A83-Y95 HydrophobicContact CB-CD2 3.49Å; A83-Y95 VanDerWaalsContact CB-CD2 3.49Å; A83-Y95 HydrophobicContact CB-CE1 4.29Å; A83-Y95 HydrophobicContact CB-CE2 3.95Å; A83-Y95 HydrophobicContact CB-CG 3.49Å; A83-Y95 VanDerWaalsContact CB-CG 3.49Å; K85-Y95 HydrophobicContact CB-CE2 4.2Å; K85-Y95 HydrophobicContact CD-CE2 4.18Å; L90-Y95 HydrophobicContact CD1-CD2 4.06Å; C91-Y95 WeakPolarHBondContact O-CB 3.46Å; C91-Y95 PolarHBondContact O-N 3.32Å; Y95-Y99 AromaticContact CD2-CD2 3.46Å; Y95-Y99 HydrophobicContact CD2-CD2 3.46Å; Y95-Y99 VanDerWaalsContact CD2-CD2 3.46Å; Y95-Y99 AromaticContact CD2-CE2 3.98Å; Y95-Y99 HydrophobicContact CD2-CE2 3.98Å; Y95-Y99 HydrophobicContact CD2-CG 4.44Å; Y95-Y99 AromaticContact CE2-CD2 3.59Å; Y95-Y99 HydrophobicContact CE2-CD2 3.59Å; Y95-Y99 HydrophobicContact CE2-CE2 4.2Å; Y95-Y99 HydrophobicContact CE2-CG 4.22Å; Y95-Y99 HydrophobicContact CG-CD2 4.07Å; Y95-Y99 WeakPolarHBondContact O-CB 3.01Å; Y95-Y99 WeakPolarHBondContact O-CD2 3.26Å; Y95-Y99 PolarHBondContact O-N 2.97Å; Y95-P112 HydrophobicContact CD1-CB 4.25Å; Y95-P112 HydrophobicContact CD1-CG 3.72Å; Y95-P112 HydrophobicContact CE1-CB 3.64Å; Y95-P112 HydrophobicContact CE1-CG 3.48Å; Y95-P112 VanDerWaalsContact CE1-CG 3.48Å
96A82.9Confident87.8Confident5 Ų564.7 Ų64.74%0.04133%0.33CS..Hα-helixtrans-65.1-43.5178.400000112.1T92 E93 C94 D98 S100 T109 M111T92-A96 WeakPolarHBondContact O-CB 3.26Å; T92-A96 PolarHBondContact O-N 2.74Å; E93-A96 PolarHBondContact O-N 2.76Å; C94-A96 VanDerWaalsContact C-N 3.29Å; C94-A96 PolarHBondContact O-N 3.09Å; A96-D98 VanDerWaalsContact C-N 3.32Å; A96-D98 PolarHBondContact O-N 3.13Å; A96-S100 VanDerWaalsContact CA-OG 3.26Å; A96-S100 WeakPolarHBondContact CA-OG 3.04Å; A96-S100 WeakPolarHBondContact O-CB 3.41Å; A96-S100 PolarHBondContact O-N 2.88Å; A96-S100 PolarHBondContact O-OG 2.91Å; A96-S100 VanDerWaalsContact O-OG 3.09Å; A96-T109 HydrophobicContact CB-CG2 3.9Å; A96-T109 WeakPolarHBondContact O-CG2 3.48Å; A96-M111 HydrophobicContact CB-CE 3.93Å; A96-M111 HydrophobicContact CB-SD 3.62Å
97H82.4Confident88Confident146 Ų14663.8 Ų63.868%0.67632%0.323SS*.Hα-helixtrans-57-43.5179176.2-88.1000112.8E93 C94E93-H97 WeakPolarHBondContact O-CB 3.07Å; E93-H97 PolarHBondContact O-N 3.17Å; C94-H97 PolarHBondContact O-N 3.21Å
98D82.1Confident88.2Confident54 Ų5465 Ų6529%0.28932%0.323SS..Hα-helixtrans-89.9-30.2-171.6-58.8-39.6000113.9K72 C94 A96K72-D98 VanDerWaalsContact CD-OD2 3.25Å; K72-D98 WeakPolarHBondContact CD-OD2 3.35Å; K72-D98 WeakPolarHBondContact CE-OD2 3.33Å; K72-D98 IonicContact NZ-OD1 2.63Å; K72-D98 PolarHBondContact NZ-OD1 3.48Å; K72-D98 VanDerWaalsContact NZ-OD1 3.14Å; K72-D98 IonicContact NZ-OD2 3.35Å; K72-D98 PolarHBondContact NZ-OD2 3.05Å; C94-D98 PolarHBondContact O-N 3.15Å; A96-D98 VanDerWaalsContact C-N 3.32Å; A96-D98 PolarHBondContact O-N 3.13Å
99Y79.2Confident88Confident98 Ų9863 Ų6338%0.38431%0.314SS..Hα-helixtrans-120.70.9-165.7-55.6-63000114.6K85 L90 Y95K85-Y99 HydrophobicContact CD-CD1 4.48Å; K85-Y99 HydrophobicContact CD-CD2 4.4Å; K85-Y99 HydrophobicContact CD-CE1 4.11Å; K85-Y99 HydrophobicContact CD-CE2 4.01Å; K85-Y99 VanDerWaalsContact NZ-CD1 3.33Å; L90-Y99 HydrophobicContact CD1-CE2 3.74Å; Y95-Y99 AromaticContact CD2-CD2 3.46Å; Y95-Y99 HydrophobicContact CD2-CD2 3.46Å; Y95-Y99 VanDerWaalsContact CD2-CD2 3.46Å; Y95-Y99 AromaticContact CD2-CE2 3.98Å; Y95-Y99 HydrophobicContact CD2-CE2 3.98Å; Y95-Y99 HydrophobicContact CD2-CG 4.44Å; Y95-Y99 AromaticContact CE2-CD2 3.59Å; Y95-Y99 HydrophobicContact CE2-CD2 3.59Å; Y95-Y99 HydrophobicContact CE2-CE2 4.2Å; Y95-Y99 HydrophobicContact CE2-CG 4.22Å; Y95-Y99 HydrophobicContact CG-CD2 4.07Å; Y95-Y99 WeakPolarHBondContact O-CB 3.01Å; Y95-Y99 WeakPolarHBondContact O-CD2 3.26Å; Y95-Y99 PolarHBondContact O-N 2.97Å
100S81.3Confident87.8Confident23 Ų2362.5 Ų62.516%0.16131%0.312CS..  trans-106141.6-176.3-56.60000113.4A96 V110 P112A96-S100 VanDerWaalsContact CA-OG 3.26Å; A96-S100 WeakPolarHBondContact CA-OG 3.04Å; A96-S100 WeakPolarHBondContact O-CB 3.41Å; A96-S100 PolarHBondContact O-N 2.88Å; A96-S100 PolarHBondContact O-OG 2.91Å; A96-S100 VanDerWaalsContact O-OG 3.09Å; S100-V110 WeakPolarHBondContact CB-O 3.11Å; S100-P112 WeakPolarHBondContact OG-CD 3.46Å; S100-P112 WeakPolarHBondContact OG-CG 3.36Å
101S84.9Confident87.2Confident35 Ų3566.3 Ų66.325%0.24533%0.33CS..PPolyproline II helixtrans-62.1140.3167.9500000111.2V110 S123S101-V110 WeakPolarHBondContact O-CB 3.49Å; S101-V110 PolarHBondContact O-N 3.43Å; S101-S123 WeakPolarHBondContact CB-OG 3.41Å
102K89.4Confident86.2Confident152 Ų15268.3 Ų68.366%0.66134%0.343SS*.BIsolated β-bridgetrans-85.6138.6171.2-64.3-176.7-178.21790109.9N104K102-N104 PolarHBondContact O-N 3.21Å
103C92.1Very high85.6Confident0 Ų069.9 Ų69.90%037%0.371CS..BIsolated β-bridgetrans-64.5128.3174.9172.40000109.6T105 C106 K107 K108 V110 S123 H125 C128C103-T105 VanDerWaalsContact C-N 3.26Å; C103-T105 PolarHBondContact O-N 3.03Å; C103-T105 PolarHBondContact SG-N 3.25Å; C103-T105 VanDerWaalsContact SG-N 3.41Å; C103-C106 VanDerWaalsContact CB-SG 3.54Å; C103-C106 VanDerWaalsContact SG-SG 3.66Å; C103-K107 WeakPolarHBondContact O-CA 3.4Å; C103-K107 PolarHBondContact O-N 3.36Å; C103-K108 WeakPolarHBondContact CB-O 3.45Å; C103-K108 PolarHBondContact N-O 3.25Å; C103-V110 HydrophobicContact CB-CG2 3.79Å; C103-S123 CarbonylContact C-O 3.57Å; C103-S123 VanDerWaalsContact CA-O 3.27Å; C103-S123 WeakPolarHBondContact CA-O 3.4Å; C103-H125 VanDerWaalsContact CB-CE1 3.49Å; C103-H125 WeakPolarHBondContact CB-CE1 3.28Å; C103-H125 WeakPolarHBondContact CB-ND1 3.46Å; C103-C128 VanDerWaalsContact SG-CB 3.55Å
104N92.1Very high85.2Confident59 Ų5966.6 Ų66.632%0.31636%0.361SS..THydrogen-bonded Turntrans-68.6-25.7-177.6-175.646000113K102 K107 N122 S123 W124K102-N104 PolarHBondContact O-N 3.21Å; N104-K107 VanDerWaalsContact O-CE 3.29Å; N104-K107 WeakPolarHBondContact O-CE 3.39Å; N104-K107 PolarHBondContact O-NZ 2.87Å; N104-K107 PolarHBondContact OD1-NZ 2.63Å; N104-K107 VanDerWaalsContact OD1-NZ 3.08Å; N104-N122 HydrophobicContact CB-CB 4.22Å; N104-S123 PolarHBondContact N-O 3.05Å; N104-W124 HydrophobicContact CB-CD2 4.35Å; N104-W124 HydrophobicContact CB-CZ2 4Å
105T91.4Very high85Confident81 Ų8175.1 Ų75.150%0.49739%0.39SS..THydrogen-bonded Turntrans-80.4-61.9175.8-56.60000112.3C103 W124 C128C103-T105 VanDerWaalsContact C-N 3.26Å; C103-T105 PolarHBondContact O-N 3.03Å; C103-T105 PolarHBondContact SG-N 3.25Å; C103-T105 VanDerWaalsContact SG-N 3.41Å; T105-W124 PolarHBondContact OG1-NE1 3.32Å; T105-C128 PolarHBondContact OG1-O 3.23Å
106C92.3Very high85Confident48 Ų4876.6 Ų76.632%0.32440%0.398SS..THydrogen-bonded Turntrans-92.9-4.9-171.673.30000114.1C103 K108 H125C103-C106 VanDerWaalsContact CB-SG 3.54Å; C103-C106 VanDerWaalsContact SG-SG 3.66Å; C106-K108 PolarHBondContact O-N 3.12Å; C106-H125 PolarHBondContact SG-CE1 3.23Å; C106-H125 PolarHBondContact SG-ND1 3.27Å
107K89.8Confident85.3Confident135 Ų13577.7 Ų77.759%0.58740%0.403SS*.  trans61.31.2-177.7-51-54-173.1-170.90115.8C103 N104C103-K107 WeakPolarHBondContact O-CA 3.4Å; C103-K107 PolarHBondContact O-N 3.36Å; N104-K107 VanDerWaalsContact O-CE 3.29Å; N104-K107 WeakPolarHBondContact O-CE 3.39Å; N104-K107 PolarHBondContact O-NZ 2.87Å; N104-K107 PolarHBondContact OD1-NZ 2.63Å; N104-K107 VanDerWaalsContact OD1-NZ 3.08Å
108K88.6Confident85.8Confident150 Ų15076.3 Ų76.365%0.65240%0.396SS*.SBendtrans-78.2157.2173.1-60.1-179.8-179.2179.90111.3C103 C106C103-K108 WeakPolarHBondContact CB-O 3.45Å; C103-K108 PolarHBondContact N-O 3.25Å; C106-K108 PolarHBondContact O-N 3.12Å
109T86.8Confident86.2Confident47 Ų4776.8 Ų76.829%0.28840%0.395SS..BIsolated β-bridgetrans-62.8135.3178.9-51.80000112.3A96 H125A96-T109 HydrophobicContact CB-CG2 3.9Å; A96-T109 WeakPolarHBondContact O-CG2 3.48Å; T109-H125 PolarHBondContact O-NE2 2.63Å
110V87.5Confident86.6Confident2 Ų280.1 Ų80.11%0.01241%0.411CS..  trans-93109.8170.3-178.30000107.6S100 S101 C103 K116S100-V110 WeakPolarHBondContact CB-O 3.11Å; S101-V110 WeakPolarHBondContact O-CB 3.49Å; S101-V110 PolarHBondContact O-N 3.43Å; C103-V110 HydrophobicContact CB-CG2 3.79Å; V110-K116 HydrophobicContact CG1-CB 3.58Å; V110-K116 HydrophobicContact CG1-CD 4.16Å; V110-K116 HydrophobicContact CG1-CG 4.45Å
111M80.4Confident86.9Confident83 Ų8383.1 Ų83.141%0.40945%0.446SS..  trans-59.5139.2-170.9-69.2-58.9-67.300112A96 S114A96-M111 HydrophobicContact CB-CE 3.93Å; A96-M111 HydrophobicContact CB-SD 3.62Å; M111-S114 WeakPolarHBondContact O-CB 2.98Å; M111-S114 PolarHBondContact O-N 2.8Å; M111-S114 VanDerWaalsContact O-N 3.12Å; M111-S114 PolarHBondContact O-OG 3.08Å
112P73.6Confident87.2Confident56 Ų5684.3 Ų84.336%0.36445%0.449SS..THydrogen-bonded Turntrans-61.3139.2174.7-25.540.5000110.5Y95 S100 S114Y95-P112 HydrophobicContact CD1-CB 4.25Å; Y95-P112 HydrophobicContact CD1-CG 3.72Å; Y95-P112 HydrophobicContact CE1-CB 3.64Å; Y95-P112 HydrophobicContact CE1-CG 3.48Å; Y95-P112 VanDerWaalsContact CE1-CG 3.48Å; S100-P112 WeakPolarHBondContact OG-CD 3.46Å; S100-P112 WeakPolarHBondContact OG-CG 3.36Å; P112-S114 PolarHBondContact O-N 2.96Å
113G74.6Confident87.3Confident91 Ų9177.7 Ų77.794%0.93842%0.422SS*.THydrogen-bonded Turntrans77.5-10.3-175.500000115.2
114S79.9Confident87.3Confident50 Ų5078 Ų7835%0.3542%0.423SS..SBendtrans-76.2150.5171.173.10000111.4M111 P112 K116M111-S114 WeakPolarHBondContact O-CB 2.98Å; M111-S114 PolarHBondContact O-N 2.8Å; M111-S114 VanDerWaalsContact O-N 3.12Å; M111-S114 PolarHBondContact O-OG 3.08Å; P112-S114 PolarHBondContact O-N 2.96Å; S114-K116 PolarHBondContact O-N 2.88Å
115R84.2Confident87.3Confident200 Ų20077.1 Ų77.176%0.75542%0.417SS*.  trans-62.8127.1172.1-69.5-176.4-179.8-177.70.6109.1
116K88.8Confident87.2Confident94 Ų9476.5 Ų76.541%0.40941%0.409SS..EExtended strand (participates in β ladder)trans-134.7154.6-179.662.4173169.7167.50110.9V110 S114 E118 W124V110-K116 HydrophobicContact CG1-CB 3.58Å; V110-K116 HydrophobicContact CG1-CD 4.16Å; V110-K116 HydrophobicContact CG1-CG 4.45Å; S114-K116 PolarHBondContact O-N 2.88Å; K116-E118 HydrophobicContact CD-CG 4.17Å; K116-E118 WeakPolarHBondContact CD-OE1 3.29Å; K116-E118 WeakPolarHBondContact CE-OE1 3.11Å; K116-E118 HydrophobicContact CG-CG 4.31Å; K116-E118 IonicContact NZ-OE1 4Å; K116-E118 PolarHBondContact NZ-OE1 3.31Å; K116-W124 WeakPolarHBondContact CA-O 3.4Å
117M91.2Very high87.2Confident28 Ų2879 Ų7914%0.13842%0.422CS..EExtended strand (participates in β ladder)trans-99137.4171.5-59.3-55.3-58.600109.2S123 W124 F129 G139M117-S123 CarbonylContact O-C 3.57Å; M117-S123 VanDerWaalsContact O-CA 3.28Å; M117-S123 WeakPolarHBondContact O-CA 3.49Å; M117-W124 HydrophobicContact CB-CB 4.33Å; M117-W124 PolarHBondContact N-O 2.87Å; M117-W124 PolarHBondContact O-N 2.95Å; M117-F129 HydrophobicContact CB-CB 4.04Å; M117-F129 HydrophobicContact CB-CD1 4.26Å; M117-F129 HydrophobicContact CB-CG 4.09Å; M117-F129 HydrophobicContact CE-CD1 4.26Å; M117-F129 HydrophobicContact CG-CB 3.86Å; M117-F129 HydrophobicContact CG-CD1 4.17Å; M117-F129 HydrophobicContact CG-CG 4.2Å; M117-G139 WeakPolarHBondContact CE-O 3.12Å
118E91.1Very high87.3Confident117 Ų11773.5 Ų73.555%0.54740%0.401SS..EExtended strand (participates in β ladder)trans-131.7133.4178.6-63.3-170.4148.500111.3K116 N122K116-E118 HydrophobicContact CD-CG 4.17Å; K116-E118 WeakPolarHBondContact CD-OE1 3.29Å; K116-E118 WeakPolarHBondContact CE-OE1 3.11Å; K116-E118 HydrophobicContact CG-CG 4.31Å; K116-E118 IonicContact NZ-OE1 4Å; K116-E118 PolarHBondContact NZ-OE1 3.31Å; E118-N122 WeakPolarHBondContact CA-O 3.27Å
119Y90.4Very high87.6Confident64 Ų6466.5 Ų66.525%0.25137%0.37SS..EExtended strand (participates in β ladder)trans-158.8130.4176.5-177.1-111.2000110.7G121 N122 F143 P145 Y150Y119-G121 VanDerWaalsContact C-N 3.29Å; Y119-G121 PolarHBondContact O-N 3.35Å; Y119-N122 PolarHBondContact N-O 2.94Å; Y119-N122 WeakPolarHBondContact O-CB 3.48Å; Y119-N122 PolarHBondContact O-N 2.81Å; Y119-F143 HydrophobicContact CD1-CE2 4.15Å; Y119-F143 HydrophobicContact CD1-CZ 4.26Å; Y119-F143 HydrophobicContact CD2-CE2 4.12Å; Y119-F143 AromaticContact CD2-CZ 3.57Å; Y119-F143 HydrophobicContact CD2-CZ 3.57Å; Y119-F143 HydrophobicContact CE1-CE2 4.22Å; Y119-F143 HydrophobicContact CE2-CE2 4.2Å; Y119-F143 AromaticContact CE2-CZ 3.97Å; Y119-F143 HydrophobicContact CE2-CZ 3.97Å; Y119-F143 HydrophobicContact CG-CE2 4.09Å; Y119-F143 AromaticContact CG-CZ 3.72Å; Y119-F143 HydrophobicContact CG-CZ 3.72Å; Y119-P145 HydrophobicContact CE1-CB 4.18Å; Y119-P145 HydrophobicContact CE1-CG 4.43Å; Y119-P145 WeakPolarHBondContact OH-CG 3.25Å; Y119-Y150 AromaticContact CD1-CE1 3.58Å; Y119-Y150 HydrophobicContact CD1-CE1 3.58Å; Y119-Y150 AromaticContact CE1-CE1 3.79Å; Y119-Y150 HydrophobicContact CE1-CE1 3.79Å
120K89.1Confident88Confident168 Ų16866.8 Ų66.873%0.7337%0.37SS*.THydrogen-bonded Turntrans46.647.8-179.4-69.6-172.8170.8-173.70113.6N122K120-N122 PolarHBondContact O-N 2.83Å; K120-N122 PolarHBondContact O-ND2 3.38Å
121G86.9Confident88.3Confident86 Ų8666.7 Ų66.789%0.88737%0.369SS*.THydrogen-bonded Turntrans74.21.9177.500000115.6Y119Y119-G121 VanDerWaalsContact C-N 3.29Å; Y119-G121 PolarHBondContact O-N 3.35Å
122N90.4Very high89Confident60 Ų6067.9 Ų67.932%0.32137%0.374SS..EExtended strand (participates in β ladder)trans-100.2149.8173.9-67.4-67.3000110.6N104 E118 Y119 K120 W124N104-N122 HydrophobicContact CB-CB 4.22Å; E118-N122 WeakPolarHBondContact CA-O 3.27Å; Y119-N122 PolarHBondContact N-O 2.94Å; Y119-N122 WeakPolarHBondContact O-CB 3.48Å; Y119-N122 PolarHBondContact O-N 2.81Å; K120-N122 PolarHBondContact O-N 2.83Å; K120-N122 PolarHBondContact O-ND2 3.38Å; N122-W124 HydrophobicContact CB-CE3 4.2Å; N122-W124 HydrophobicContact CB-CH2 3.2Å; N122-W124 HydrophobicContact CB-CZ2 3.75Å; N122-W124 HydrophobicContact CB-CZ3 3.45Å; N122-W124 VanDerWaalsContact CB-CZ3 3.45Å; N122-W124 VanDerWaalsContact O-CZ3 3.25Å; N122-W124 WeakPolarHBondContact O-CZ3 3.32Å
123S91.9Very high89.9Confident13 Ų1373.2 Ų73.29%0.09139%0.386CS..EExtended strand (participates in β ladder)trans-121.3149.1175.7-50.80000111S101 C103 N104 M117S101-S123 WeakPolarHBondContact CB-OG 3.41Å; C103-S123 CarbonylContact C-O 3.57Å; C103-S123 VanDerWaalsContact CA-O 3.27Å; C103-S123 WeakPolarHBondContact CA-O 3.4Å; N104-S123 PolarHBondContact N-O 3.05Å; M117-S123 CarbonylContact O-C 3.57Å; M117-S123 VanDerWaalsContact O-CA 3.28Å; M117-S123 WeakPolarHBondContact O-CA 3.49Å
124W92.9Very high90.8Very high5 Ų571.3 Ų71.32%0.01936%0.358CS..EExtended strand (participates in β ladder)trans-139.1151.6175.9-63.1-101.8000111.3N104 T105 K116 M117 N122 F129 Y150N104-W124 HydrophobicContact CB-CD2 4.35Å; N104-W124 HydrophobicContact CB-CZ2 4Å; T105-W124 PolarHBondContact OG1-NE1 3.32Å; K116-W124 WeakPolarHBondContact CA-O 3.4Å; M117-W124 HydrophobicContact CB-CB 4.33Å; M117-W124 PolarHBondContact N-O 2.87Å; M117-W124 PolarHBondContact O-N 2.95Å; N122-W124 HydrophobicContact CB-CE3 4.2Å; N122-W124 HydrophobicContact CB-CH2 3.2Å; N122-W124 HydrophobicContact CB-CZ2 3.75Å; N122-W124 HydrophobicContact CB-CZ3 3.45Å; N122-W124 VanDerWaalsContact CB-CZ3 3.45Å; N122-W124 VanDerWaalsContact O-CZ3 3.25Å; N122-W124 WeakPolarHBondContact O-CZ3 3.32Å; W124-F129 HydrophobicContact CB-CB 3.99Å; W124-F129 HydrophobicContact CB-CD2 4.44Å; W124-F129 AromaticContact CD2-CD2 3.69Å; W124-F129 HydrophobicContact CD2-CD2 3.69Å; W124-F129 HydrophobicContact CD2-CE2 4.24Å; W124-F129 AromaticContact CE2-CD2 3.95Å; W124-F129 AromaticContact CE3-CD2 3.94Å; W124-F129 HydrophobicContact CE3-CD2 3.94Å; W124-F129 HydrophobicContact CE3-CE2 4.18Å; W124-F129 HydrophobicContact CG-CB 4.3Å; W124-F129 AromaticContact CG-CD2 3.94Å; W124-F129 HydrophobicContact CG-CD2 3.94Å; W124-F129 HydrophobicContact CH2-CE2 4.2Å; W124-F129 HydrophobicContact CZ2-CD2 4.41Å; W124-F129 HydrophobicContact CZ2-CE2 4.28Å; W124-F129 HydrophobicContact CZ3-CD2 4.39Å; W124-F129 HydrophobicContact CZ3-CE2 4.17Å; W124-Y150 HydrophobicContact CH2-CE2 4.2Å; W124-Y150 AromaticContact CH2-CZ 3.98Å; W124-Y150 AromaticContact CZ2-CE2 3.81Å; W124-Y150 HydrophobicContact CZ2-CE2 3.81Å
125H91.5Very high91.5Very high42 Ų4274.1 Ų74.119%0.19437%0.366CS..EExtended strand (participates in β ladder)trans-60.7149.5158.8-53.7106.4000109.4C103 C106 T109 T127 C128 F129C103-H125 VanDerWaalsContact CB-CE1 3.49Å; C103-H125 WeakPolarHBondContact CB-CE1 3.28Å; C103-H125 WeakPolarHBondContact CB-ND1 3.46Å; C106-H125 PolarHBondContact SG-CE1 3.23Å; C106-H125 PolarHBondContact SG-ND1 3.27Å; T109-H125 PolarHBondContact O-NE2 2.63Å; H125-T127 PolarHBondContact O-N 3.41Å; H125-C128 HydrophobicContact CB-CB 3.92Å; H125-C128 PolarHBondContact O-N 2.97Å; H125-F129 PolarHBondContact O-N 3.18Å
126E89.8Confident92Very high68 Ų6870.4 Ų70.432%0.31836%0.357SS..THydrogen-bonded Turntrans-54.5-36.8177.9-164.7173.2-157.900112.1
127T91.4Very high92.3Very high99 Ų9968.6 Ų68.661%0.60736%0.355SS*.THydrogen-bonded Turntrans-80.6-12.4176.656.30000114.5H125 L130H125-T127 PolarHBondContact O-N 3.41Å; T127-L130 WeakPolarHBondContact O-CD2 3.33Å
128C93.3Very high92.4Very high20 Ų2067.4 Ų67.414%0.13535%0.349CS..THydrogen-bonded Turntrans-100.6-9.4-177.3-72.70000113.1C103 T105 H125 L130C103-C128 VanDerWaalsContact SG-CB 3.55Å; T105-C128 PolarHBondContact OG1-O 3.23Å; H125-C128 HydrophobicContact CB-CB 3.92Å; H125-C128 PolarHBondContact O-N 2.97Å; C128-L130 PolarHBondContact O-N 2.88Å
129F94.4Very high92.2Very high3 Ų362.2 Ų62.21%0.01333%0.327CS..SBendtrans-89.181173.6-165.2-118.2000109.9M117 W124 H125 I138 F143 Y150M117-F129 HydrophobicContact CB-CB 4.04Å; M117-F129 HydrophobicContact CB-CD1 4.26Å; M117-F129 HydrophobicContact CB-CG 4.09Å; M117-F129 HydrophobicContact CE-CD1 4.26Å; M117-F129 HydrophobicContact CG-CB 3.86Å; M117-F129 HydrophobicContact CG-CD1 4.17Å; M117-F129 HydrophobicContact CG-CG 4.2Å; W124-F129 HydrophobicContact CB-CB 3.99Å; W124-F129 HydrophobicContact CB-CD2 4.44Å; W124-F129 AromaticContact CD2-CD2 3.69Å; W124-F129 HydrophobicContact CD2-CD2 3.69Å; W124-F129 HydrophobicContact CD2-CE2 4.24Å; W124-F129 AromaticContact CE2-CD2 3.95Å; W124-F129 AromaticContact CE3-CD2 3.94Å; W124-F129 HydrophobicContact CE3-CD2 3.94Å; W124-F129 HydrophobicContact CE3-CE2 4.18Å; W124-F129 HydrophobicContact CG-CB 4.3Å; W124-F129 AromaticContact CG-CD2 3.94Å; W124-F129 HydrophobicContact CG-CD2 3.94Å; W124-F129 HydrophobicContact CH2-CE2 4.2Å; W124-F129 HydrophobicContact CZ2-CD2 4.41Å; W124-F129 HydrophobicContact CZ2-CE2 4.28Å; W124-F129 HydrophobicContact CZ3-CD2 4.39Å; W124-F129 HydrophobicContact CZ3-CE2 4.17Å; H125-F129 PolarHBondContact O-N 3.18Å; F129-I138 HydrophobicContact CD1-CB 4.12Å; F129-I138 HydrophobicContact CD1-CD1 4.35Å; F129-I138 HydrophobicContact CE1-CB 4.42Å; F129-I138 HydrophobicContact CE1-CD1 4.11Å; F129-I138 PolarHBondContact O-N 2.87Å; F129-F143 HydrophobicContact CE1-CB 4.48Å; F129-F143 AromaticContact CE1-CD1 3.87Å; F129-F143 HydrophobicContact CE1-CD1 3.87Å; F129-F143 HydrophobicContact CE1-CD2 4.36Å; F129-F143 HydrophobicContact CE1-CE1 4.13Å; F129-F143 AromaticContact CE1-CG 4Å; F129-F143 HydrophobicContact CE1-CG 4Å; F129-F143 HydrophobicContact CE1-CZ 4.48Å; F129-F143 HydrophobicContact CZ-CD1 4.25Å; F129-F143 HydrophobicContact CZ-CD2 4.05Å; F129-F143 HydrophobicContact CZ-CE1 4.24Å; F129-F143 HydrophobicContact CZ-CE2 4.04Å; F129-F143 HydrophobicContact CZ-CG 4.16Å; F129-F143 HydrophobicContact CZ-CZ 4.13Å; F129-Y150 HydrophobicContact CD2-CD2 4.38Å; F129-Y150 AromaticContact CE2-CD1 3.99Å; F129-Y150 HydrophobicContact CE2-CD1 3.99Å; F129-Y150 AromaticContact CE2-CD2 3.58Å; F129-Y150 HydrophobicContact CE2-CD2 3.58Å; F129-Y150 HydrophobicContact CE2-CE1 4.23Å; F129-Y150 AromaticContact CE2-CE2 3.86Å; F129-Y150 HydrophobicContact CE2-CE2 3.86Å; F129-Y150 AromaticContact CE2-CG 3.66Å; F129-Y150 HydrophobicContact CE2-CG 3.66Å; F129-Y150 AromaticContact CZ-CD1 3.83Å; F129-Y150 HydrophobicContact CZ-CD1 3.83Å; F129-Y150 HydrophobicContact CZ-CD2 4.17Å; F129-Y150 HydrophobicContact CZ-CE1 4.32Å; F129-Y150 AromaticContact CZ-CG 3.74Å; F129-Y150 HydrophobicContact CZ-CG 3.74Å
130L94.6Very high91.9Very high53 Ų5365.1 Ų65.128%0.27735%0.351SS..BIsolated β-bridgetrans-96.6146.9-170-57.7-178.5000112.2T127 C128 H132 Q136 P137T127-L130 WeakPolarHBondContact O-CD2 3.33Å; C128-L130 PolarHBondContact O-N 2.88Å; L130-H132 PolarHBondContact O-N 3.25Å; L130-Q136 WeakPolarHBondContact CA-O 2.93Å; L130-P137 HydrophobicContact CD2-CB 4.18Å; L130-P137 HydrophobicContact CD2-CG 3.79Å
131C94.9Very high91.9Very high0 Ų064.5 Ų64.50%035%0.349CS..  trans-68.2126.4166.4174.50000110.2R133 C134 Q135 Q136 I138 Y150 C152C131-R133 PolarHBondContact O-N 3.02Å; C131-R133 VanDerWaalsContact O-N 3.07Å; C131-R133 PolarHBondContact SG-N 2.96Å; C131-R133 VanDerWaalsContact SG-N 3.42Å; C131-C134 VanDerWaalsContact CB-SG 3.51Å; C131-Q135 WeakPolarHBondContact O-CA 3.48Å; C131-Q135 PolarHBondContact O-N 3.37Å; C131-Q136 PolarHBondContact N-O 3.03Å; C131-I138 HydrophobicContact CB-CD1 4.22Å; C131-I138 HydrophobicContact CB-CG1 4.03Å; C131-Y150 CarbonylContact C-O 3.55Å; C131-Y150 WeakPolarHBondContact CA-O 3.4Å; C131-C152 HydrophobicContact CB-CB 4.21Å; C131-C152 PolarHBondContact SG-N 2.95Å
132H93.8Very high92Very high109 Ų10964.9 Ų64.951%0.50534%0.338SS..THydrogen-bonded Turntrans-56.4-27.8178.8-170.984.2000113.3L130 Q135 Y150 F151L130-H132 PolarHBondContact O-N 3.25Å; H132-Q135 PolarHBondContact O-NE2 3.41Å; H132-Y150 PolarHBondContact N-O 3.42Å; H132-F151 HydrophobicContact CB-CD1 4.5Å; H132-F151 HydrophobicContact CB-CE1 4.09Å; H132-F151 HydrophobicContact CB-CE2 4.33Å; H132-F151 HydrophobicContact CB-CZ 3.99Å; H132-F151 AromaticContact CD2-CZ 3.89Å
133R92.8Very high92.1Very high167 Ų16764.5 Ų64.563%0.6333%0.333SS*.THydrogen-bonded Turntrans-87.7-56.8-179.4-177.861.3176.6173.80.4113.7C131 F151 C155C131-R133 PolarHBondContact O-N 3.02Å; C131-R133 VanDerWaalsContact O-N 3.07Å; C131-R133 PolarHBondContact SG-N 2.96Å; C131-R133 VanDerWaalsContact SG-N 3.42Å; R133-F151 HydrophobicContact CB-CD1 4.07Å; R133-F151 HydrophobicContact CB-CE1 4.13Å; R133-C155 HydrophobicContact CB-CB 3.8Å; R133-C155 HydrophobicContact CG-CB 4.02Å
134C94.7Very high92.1Very high52 Ų5266.3 Ų66.335%0.35134%0.342SS..THydrogen-bonded Turntrans-94.3-6-174.666.30000114.1C131 Q136C131-C134 VanDerWaalsContact CB-SG 3.51Å; C134-Q136 HydrophobicContact CB-CG 4.41Å; C134-Q136 PolarHBondContact O-N 2.78Å
135Q94.5Very high91.9Very high108 Ų10868.9 Ų68.951%0.50536%0.359SS..  trans5815.4-178.4-58.2-63.3-44.100114.2C131 H132C131-Q135 WeakPolarHBondContact O-CA 3.48Å; C131-Q135 PolarHBondContact O-N 3.37Å; H132-Q135 PolarHBondContact O-NE2 3.41Å
136Q94.9Very high91.7Very high122 Ų12270.1 Ų70.157%0.5736%0.364SS*.  trans-87.5146.3175.1-64.5-58.8-47.900111L130 C131 C134 I138L130-Q136 WeakPolarHBondContact CA-O 2.93Å; C131-Q136 PolarHBondContact N-O 3.03Å; C134-Q136 HydrophobicContact CB-CG 4.41Å; C134-Q136 PolarHBondContact O-N 2.78Å; Q136-I138 PolarHBondContact O-N 2.93Å
137P94.3Very high91.5Very high56 Ų5674 Ų7436%0.36439%0.387SS..BIsolated β-bridgetrans-57.5127.5172-22.933.2000110.9L130L130-P137 HydrophobicContact CD2-CB 4.18Å; L130-P137 HydrophobicContact CD2-CG 3.79Å
138I93.8Very high91Very high4 Ų475 Ų752%0.02140%0.398CS..  trans-75.8-36175.1-53.4176.5000109.8F129 C131 Q136 K141 F143 C152F129-I138 HydrophobicContact CD1-CB 4.12Å; F129-I138 HydrophobicContact CD1-CD1 4.35Å; F129-I138 HydrophobicContact CE1-CB 4.42Å; F129-I138 HydrophobicContact CE1-CD1 4.11Å; F129-I138 PolarHBondContact O-N 2.87Å; C131-I138 HydrophobicContact CB-CD1 4.22Å; C131-I138 HydrophobicContact CB-CG1 4.03Å; Q136-I138 PolarHBondContact O-N 2.93Å; I138-K141 HydrophobicContact CG2-CB 4.06Å; I138-K141 WeakPolarHBondContact CG2-O 3.31Å; I138-K141 VanDerWaalsContact O-CB 3.31Å; I138-K141 WeakPolarHBondContact O-CB 3.44Å; I138-K141 WeakPolarHBondContact O-CG 3.32Å; I138-K141 PolarHBondContact O-N 3.32Å; I138-F143 HydrophobicContact CD1-CB 3.88Å; I138-F143 HydrophobicContact CG2-CB 4.07Å; I138-C152 HydrophobicContact CG1-CB 4.4Å
139G86.8Confident90.8Very high8 Ų874.4 Ų74.48%0.08240%0.395CS..THydrogen-bonded Turntrans58.1-140.1-176.600000111.1M117 K141M117-G139 WeakPolarHBondContact CE-O 3.12Å; G139-K141 PolarHBondContact O-N 2.93Å
140T84.1Confident90.7Very high124 Ų12476.5 Ų76.576%0.76140%0.403SS*.THydrogen-bonded Turntrans-75.91.4179.356.70000114.7
141K87.8Confident90.7Very high155 Ų15574.4 Ų74.467%0.67439%0.392SS*.SBendtrans-72.7154.9179.2-59.3173.9-175.9172.60110.8I138 G139I138-K141 HydrophobicContact CG2-CB 4.06Å; I138-K141 WeakPolarHBondContact CG2-O 3.31Å; I138-K141 VanDerWaalsContact O-CB 3.31Å; I138-K141 WeakPolarHBondContact O-CB 3.44Å; I138-K141 WeakPolarHBondContact O-CG 3.32Å; I138-K141 PolarHBondContact O-N 3.32Å; G139-K141 PolarHBondContact O-N 2.93Å
142S89.8Confident90.6Very high94 Ų9475.4 Ų75.466%0.65740%0.399SS*.  trans-57.2141.5172.8-54.40000111.6
143F92.4Very high90.4Very high52 Ų5272.2 Ų72.223%0.22839%0.387CS..EExtended strand (participates in β ladder)trans-134159.2177.469.2-87.1000111Y119 F129 I138 Y150 F151Y119-F143 HydrophobicContact CD1-CE2 4.15Å; Y119-F143 HydrophobicContact CD1-CZ 4.26Å; Y119-F143 HydrophobicContact CD2-CE2 4.12Å; Y119-F143 AromaticContact CD2-CZ 3.57Å; Y119-F143 HydrophobicContact CD2-CZ 3.57Å; Y119-F143 HydrophobicContact CE1-CE2 4.22Å; Y119-F143 HydrophobicContact CE2-CE2 4.2Å; Y119-F143 AromaticContact CE2-CZ 3.97Å; Y119-F143 HydrophobicContact CE2-CZ 3.97Å; Y119-F143 HydrophobicContact CG-CE2 4.09Å; Y119-F143 AromaticContact CG-CZ 3.72Å; Y119-F143 HydrophobicContact CG-CZ 3.72Å; F129-F143 HydrophobicContact CE1-CB 4.48Å; F129-F143 AromaticContact CE1-CD1 3.87Å; F129-F143 HydrophobicContact CE1-CD1 3.87Å; F129-F143 HydrophobicContact CE1-CD2 4.36Å; F129-F143 HydrophobicContact CE1-CE1 4.13Å; F129-F143 AromaticContact CE1-CG 4Å; F129-F143 HydrophobicContact CE1-CG 4Å; F129-F143 HydrophobicContact CE1-CZ 4.48Å; F129-F143 HydrophobicContact CZ-CD1 4.25Å; F129-F143 HydrophobicContact CZ-CD2 4.05Å; F129-F143 HydrophobicContact CZ-CE1 4.24Å; F129-F143 HydrophobicContact CZ-CE2 4.04Å; F129-F143 HydrophobicContact CZ-CG 4.16Å; F129-F143 HydrophobicContact CZ-CZ 4.13Å; I138-F143 HydrophobicContact CD1-CB 3.88Å; I138-F143 HydrophobicContact CG2-CB 4.07Å; F143-Y150 AromaticContact CD2-CD1 3.93Å; F143-Y150 HydrophobicContact CD2-CD1 3.93Å; F143-Y150 AromaticContact CE2-CD1 3.9Å; F143-Y150 HydrophobicContact CE2-CD1 3.9Å; F143-Y150 HydrophobicContact CE2-CE1 4.29Å; F143-F151 CarbonylContact C-O 3.6Å; F143-F151 WeakPolarHBondContact CA-O 3.41Å
144I91.1Very high90.2Very high51 Ų5168.4 Ų68.426%0.26238%0.384SS..EExtended strand (participates in β ladder)trans-121.3114.2177.8-58.3171.6000107.9F151 V153 F156I144-F151 PolarHBondContact N-O 3.22Å; I144-F151 PolarHBondContact O-N 2.82Å; I144-V153 HydrophobicContact CD1-CG2 4.35Å; I144-V153 HydrophobicContact CG1-CG2 4.46Å; I144-F156 HydrophobicContact CB-CB 4.41Å; I144-F156 HydrophobicContact CB-CD2 3.81Å; I144-F156 HydrophobicContact CB-CE2 4.18Å; I144-F156 HydrophobicContact CB-CG 3.99Å; I144-F156 HydrophobicContact CD1-CB 3.85Å; I144-F156 HydrophobicContact CD1-CD1 3.41Å; I144-F156 VanDerWaalsContact CD1-CD1 3.41Å; I144-F156 HydrophobicContact CD1-CD2 4.25Å; I144-F156 HydrophobicContact CD1-CE1 4Å; I144-F156 HydrophobicContact CD1-CG 3.56Å; I144-F156 HydrophobicContact CG1-CG 4.34Å; I144-F156 HydrophobicContact CG2-CD1 4.3Å; I144-F156 HydrophobicContact CG2-CD2 3.6Å; I144-F156 HydrophobicContact CG2-CE1 4.16Å; I144-F156 HydrophobicContact CG2-CE2 3.41Å; I144-F156 VanDerWaalsContact CG2-CE2 3.41Å; I144-F156 HydrophobicContact CG2-CG 4.04Å; I144-F156 HydrophobicContact CG2-CZ 3.73Å
145P90.6Very high90.1Very high60 Ų6066.9 Ų66.939%0.3937%0.374SS..EExtended strand (participates in β ladder)trans-74.8127.4172.329.9-31.2000109.1Y119 Y150Y119-P145 HydrophobicContact CE1-CB 4.18Å; Y119-P145 HydrophobicContact CE1-CG 4.43Å; Y119-P145 WeakPolarHBondContact OH-CG 3.25Å; P145-Y150 HydrophobicContact CB-CD1 4.2Å; P145-Y150 HydrophobicContact CB-CE1 4.28Å
146K87.1Confident89.8Confident67 Ų6763.9 Ų63.929%0.29136%0.359SS..EExtended strand (participates in β ladder)trans-145.4131.1174-171.9178.6175.2-151.90109.8S148 G149 F151 F156 F160K146-S148 PolarHBondContact O-N 2.87Å; K146-G149 PolarHBondContact N-O 3.3Å; K146-G149 PolarHBondContact O-N 3.07Å; K146-F151 HydrophobicContact CB-CD2 4.19Å; K146-F151 HydrophobicContact CB-CE2 4.13Å; K146-F156 HydrophobicContact CB-CE2 3.92Å; K146-F156 HydrophobicContact CD-CE2 3.58Å; K146-F156 HydrophobicContact CD-CZ 4.16Å; K146-F156 HydrophobicContact CG-CE2 4.29Å; K146-F160 HydrophobicContact CD-CD2 4.18Å; K146-F160 HydrophobicContact CD-CE1 4.4Å; K146-F160 HydrophobicContact CD-CE2 4.05Å; K146-F160 HydrophobicContact CD-CG 4.41Å; K146-F160 HydrophobicContact CD-CZ 4.15Å
147D85.3Confident89.4Confident149 Ų14961 Ų6180%0.79735%0.346SS*.THydrogen-bonded Turntrans53.1-126.8-172.1-49.4-46.3000110.6
148S80.2Confident88.9Confident120 Ų12067.6 Ų67.684%0.83937%0.368SS*.THydrogen-bonded Turntrans-94.59.817663.80000114.1K146K146-S148 PolarHBondContact O-N 2.87Å
149G88.9Confident88.3Confident8 Ų871.8 Ų71.88%0.08239%0.388CS..EExtended strand (participates in β ladder)trans-121.8162-17400000114.2K146K146-G149 PolarHBondContact N-O 3.3Å; K146-G149 PolarHBondContact O-N 3.07Å
150Y93.1Very high88Confident47 Ų4774.2 Ų74.218%0.18440%0.397CS..EExtended strand (participates in β ladder)trans-113.6132.4173.1-55.4-75.8000109.3Y119 W124 F129 C131 H132 F143 P145Y119-Y150 AromaticContact CD1-CE1 3.58Å; Y119-Y150 HydrophobicContact CD1-CE1 3.58Å; Y119-Y150 AromaticContact CE1-CE1 3.79Å; Y119-Y150 HydrophobicContact CE1-CE1 3.79Å; W124-Y150 HydrophobicContact CH2-CE2 4.2Å; W124-Y150 AromaticContact CH2-CZ 3.98Å; W124-Y150 AromaticContact CZ2-CE2 3.81Å; W124-Y150 HydrophobicContact CZ2-CE2 3.81Å; F129-Y150 HydrophobicContact CD2-CD2 4.38Å; F129-Y150 AromaticContact CE2-CD1 3.99Å; F129-Y150 HydrophobicContact CE2-CD1 3.99Å; F129-Y150 AromaticContact CE2-CD2 3.58Å; F129-Y150 HydrophobicContact CE2-CD2 3.58Å; F129-Y150 HydrophobicContact CE2-CE1 4.23Å; F129-Y150 AromaticContact CE2-CE2 3.86Å; F129-Y150 HydrophobicContact CE2-CE2 3.86Å; F129-Y150 AromaticContact CE2-CG 3.66Å; F129-Y150 HydrophobicContact CE2-CG 3.66Å; F129-Y150 AromaticContact CZ-CD1 3.83Å; F129-Y150 HydrophobicContact CZ-CD1 3.83Å; F129-Y150 HydrophobicContact CZ-CD2 4.17Å; F129-Y150 HydrophobicContact CZ-CE1 4.32Å; F129-Y150 AromaticContact CZ-CG 3.74Å; F129-Y150 HydrophobicContact CZ-CG 3.74Å; C131-Y150 CarbonylContact C-O 3.55Å; C131-Y150 WeakPolarHBondContact CA-O 3.4Å; H132-Y150 PolarHBondContact N-O 3.42Å; F143-Y150 AromaticContact CD2-CD1 3.93Å; F143-Y150 HydrophobicContact CD2-CD1 3.93Å; F143-Y150 AromaticContact CE2-CD1 3.9Å; F143-Y150 HydrophobicContact CE2-CD1 3.9Å; F143-Y150 HydrophobicContact CE2-CE1 4.29Å; P145-Y150 HydrophobicContact CB-CD1 4.2Å; P145-Y150 HydrophobicContact CB-CE1 4.28Å
151F93.3Very high87.8Confident9 Ų969.6 Ų69.64%0.03937%0.371CS..EExtended strand (participates in β ladder)trans-117.7137.8-179.2-64.2-98.1000110.3H132 R133 F143 I144 K146 F156 F160H132-F151 HydrophobicContact CB-CD1 4.5Å; H132-F151 HydrophobicContact CB-CE1 4.09Å; H132-F151 HydrophobicContact CB-CE2 4.33Å; H132-F151 HydrophobicContact CB-CZ 3.99Å; H132-F151 AromaticContact CD2-CZ 3.89Å; R133-F151 HydrophobicContact CB-CD1 4.07Å; R133-F151 HydrophobicContact CB-CE1 4.13Å; F143-F151 CarbonylContact C-O 3.6Å; F143-F151 WeakPolarHBondContact CA-O 3.41Å; I144-F151 PolarHBondContact N-O 3.22Å; I144-F151 PolarHBondContact O-N 2.82Å; K146-F151 HydrophobicContact CB-CD2 4.19Å; K146-F151 HydrophobicContact CB-CE2 4.13Å; F151-F156 HydrophobicContact CB-CB 3.84Å; F151-F156 HydrophobicContact CB-CD2 4.01Å; F151-F156 HydrophobicContact CB-CG 4.44Å; F151-F156 HydrophobicContact CD2-CD2 4.38Å; F151-F156 HydrophobicContact CG-CD2 4.24Å; F151-F160 HydrophobicContact CD1-CE2 4.16Å; F151-F160 AromaticContact CE1-CE2 3.91Å; F151-F160 HydrophobicContact CE1-CE2 3.91Å; F151-F160 HydrophobicContact CE1-CZ 4.28Å; F151-F160 HydrophobicContact CE2-CE2 4.34Å; F151-F160 HydrophobicContact CG-CE2 4.48Å; F151-F160 HydrophobicContact CZ-CE2 4.02Å; F151-F160 HydrophobicContact CZ-CZ 4.17Å
152C93.6Very high87.6Confident22 Ų2270.6 Ų70.615%0.14937%0.371CS..EExtended strand (participates in β ladder)trans-68.9148.916369.10000108.8C131 I138 P154 C155 F156C131-C152 HydrophobicContact CB-CB 4.21Å; C131-C152 PolarHBondContact SG-N 2.95Å; I138-C152 HydrophobicContact CG1-CB 4.4Å; C152-P154 VanDerWaalsContact C-CD 3.49Å; C152-P154 VanDerWaalsContact C-N 3.34Å; C152-C155 PolarHBondContact O-N 3.32Å; C152-C155 VanDerWaalsContact O-N 3.07Å; C152-C155 VanDerWaalsContact SG-CB 3.56Å; C152-C155 PolarHBondContact SG-SG 2.89Å; C152-F156 PolarHBondContact O-N 3.45Å
153V89.5Confident87.6Confident41 Ų4172.3 Ų72.325%0.24837%0.369CS..Hα-helixtrans-49.4-48.1-177.1176.30000112.5I144 C155 F156 E157I144-V153 HydrophobicContact CD1-CG2 4.35Å; I144-V153 HydrophobicContact CG1-CG2 4.46Å; V153-C155 PolarHBondContact O-N 3.07Å; V153-F156 PolarHBondContact O-N 3.38Å; V153-E157 HydrophobicContact CG1-CG 4.12Å; V153-E157 WeakPolarHBondContact CG1-OE1 3.46Å; V153-E157 WeakPolarHBondContact O-CB 3.44Å; V153-E157 VanDerWaalsContact O-CG 3.3Å; V153-E157 WeakPolarHBondContact O-CG 3.19Å; V153-E157 PolarHBondContact O-N 3.33Å
154P89.7Confident87.6Confident87 Ų8769.9 Ų69.957%0.56536%0.358SS*.Hα-helixtrans-62.8-38.2-179.4-23.234.1000114C152 K158C152-P154 VanDerWaalsContact C-CD 3.49Å; C152-P154 VanDerWaalsContact C-N 3.34Å; P154-K158 VanDerWaalsContact O-CB 3.26Å; P154-K158 WeakPolarHBondContact O-CB 3.29Å; P154-K158 PolarHBondContact O-N 3.47Å
155C91.3Very high87.6Confident21 Ų2169.1 Ų69.114%0.14236%0.357CS..Hα-helixtrans-71.8-39178.3-760000111.6R133 C152 V153 Q159R133-C155 HydrophobicContact CB-CB 3.8Å; R133-C155 HydrophobicContact CG-CB 4.02Å; C152-C155 PolarHBondContact O-N 3.32Å; C152-C155 VanDerWaalsContact O-N 3.07Å; C152-C155 VanDerWaalsContact SG-CB 3.56Å; C152-C155 PolarHBondContact SG-SG 2.89Å; V153-C155 PolarHBondContact O-N 3.07Å; C155-Q159 WeakPolarHBondContact O-CB 3.3Å; C155-Q159 PolarHBondContact O-N 3.29Å; C155-Q159 VanDerWaalsContact O-N 3.12Å
156F89.2Confident87.6Confident45 Ų4568.7 Ų68.720%0.19736%0.359CS..Hα-helixtrans-62.1-50.1176.1-172.8-88.6000110.8I144 K146 F151 C152 V153 K158 Q159 F160I144-F156 HydrophobicContact CB-CB 4.41Å; I144-F156 HydrophobicContact CB-CD2 3.81Å; I144-F156 HydrophobicContact CB-CE2 4.18Å; I144-F156 HydrophobicContact CB-CG 3.99Å; I144-F156 HydrophobicContact CD1-CB 3.85Å; I144-F156 HydrophobicContact CD1-CD1 3.41Å; I144-F156 VanDerWaalsContact CD1-CD1 3.41Å; I144-F156 HydrophobicContact CD1-CD2 4.25Å; I144-F156 HydrophobicContact CD1-CE1 4Å; I144-F156 HydrophobicContact CD1-CG 3.56Å; I144-F156 HydrophobicContact CG1-CG 4.34Å; I144-F156 HydrophobicContact CG2-CD1 4.3Å; I144-F156 HydrophobicContact CG2-CD2 3.6Å; I144-F156 HydrophobicContact CG2-CE1 4.16Å; I144-F156 HydrophobicContact CG2-CE2 3.41Å; I144-F156 VanDerWaalsContact CG2-CE2 3.41Å; I144-F156 HydrophobicContact CG2-CG 4.04Å; I144-F156 HydrophobicContact CG2-CZ 3.73Å; K146-F156 HydrophobicContact CB-CE2 3.92Å; K146-F156 HydrophobicContact CD-CE2 3.58Å; K146-F156 HydrophobicContact CD-CZ 4.16Å; K146-F156 HydrophobicContact CG-CE2 4.29Å; F151-F156 HydrophobicContact CB-CB 3.84Å; F151-F156 HydrophobicContact CB-CD2 4.01Å; F151-F156 HydrophobicContact CB-CG 4.44Å; F151-F156 HydrophobicContact CD2-CD2 4.38Å; F151-F156 HydrophobicContact CG-CD2 4.24Å; C152-F156 PolarHBondContact O-N 3.45Å; V153-F156 PolarHBondContact O-N 3.38Å; F156-K158 VanDerWaalsContact C-N 3.35Å; F156-K158 PolarHBondContact O-N 2.83Å; F156-Q159 PolarHBondContact O-N 3.22Å; F156-F160 HydrophobicContact CD1-CB 4.48Å; F156-F160 HydrophobicContact CD1-CD2 4.4Å; F156-F160 AromaticContact CD2-CD2 3.49Å; F156-F160 HydrophobicContact CD2-CD2 3.49Å; F156-F160 VanDerWaalsContact CD2-CD2 3.49Å; F156-F160 AromaticContact CD2-CE2 3.97Å; F156-F160 HydrophobicContact CD2-CE2 3.97Å; F156-F160 HydrophobicContact CE1-CB 4.18Å; F156-F160 AromaticContact CE2-CD2 3.62Å; F156-F160 HydrophobicContact CE2-CD2 3.62Å; F156-F160 HydrophobicContact CE2-CE2 4.19Å; F156-F160 HydrophobicContact CE2-CG 4.35Å; F156-F160 AromaticContact CG-CD2 3.92Å; F156-F160 HydrophobicContact CG-CD2 3.92Å; F156-F160 HydrophobicContact CZ-CB 4.2Å; F156-F160 HydrophobicContact CZ-CD2 4.13Å; F156-F160 HydrophobicContact CZ-CG 4.48Å; F156-F160 WeakPolarHBondContact O-CB 3.37Å; F156-F160 WeakPolarHBondContact O-CD2 3.47Å; F156-F160 PolarHBondContact O-N 3.02Å
157E85.1Confident87.8Confident61 Ų6167.8 Ų67.829%0.28536%0.361SS..Hα-helixtrans-60-44.8178.6-70.8174.5163.200111.4V153 Q159 A161 T172V153-E157 HydrophobicContact CG1-CG 4.12Å; V153-E157 WeakPolarHBondContact CG1-OE1 3.46Å; V153-E157 WeakPolarHBondContact O-CB 3.44Å; V153-E157 VanDerWaalsContact O-CG 3.3Å; V153-E157 WeakPolarHBondContact O-CG 3.19Å; V153-E157 PolarHBondContact O-N 3.33Å; E157-Q159 VanDerWaalsContact C-N 3.26Å; E157-Q159 PolarHBondContact O-N 3.12Å; E157-A161 HydrophobicContact CB-CB 4.41Å; E157-A161 WeakPolarHBondContact O-CB 3.48Å; E157-A161 PolarHBondContact O-N 2.8Å; E157-T172 HydrophobicContact CB-CG2 4.17Å; E157-T172 HydrophobicContact CG-CG2 3.76Å; E157-T172 VanDerWaalsContact OE1-CB 3.3Å; E157-T172 WeakPolarHBondContact OE1-CB 3.3Å; E157-T172 VanDerWaalsContact OE1-CG2 3.29Å; E157-T172 WeakPolarHBondContact OE1-CG2 3.35Å
158K83.6Confident88Confident194 Ų19467.3 Ų67.384%0.84335%0.351SS*.Hα-helixtrans-62.8-32.4179.2-173173.1-178.5176.40113.3P154 F156P154-K158 VanDerWaalsContact O-CB 3.26Å; P154-K158 WeakPolarHBondContact O-CB 3.29Å; P154-K158 PolarHBondContact O-N 3.47Å; F156-K158 VanDerWaalsContact C-N 3.35Å; F156-K158 PolarHBondContact O-N 2.83Å
159Q81.6Confident88.4Confident93 Ų9368.7 Ų68.744%0.43534%0.342SS..Hα-helixtrans-94.8-30.8-174.9-169.1173.5-7.300113.2C155 F156 E157C155-Q159 WeakPolarHBondContact O-CB 3.3Å; C155-Q159 PolarHBondContact O-N 3.29Å; C155-Q159 VanDerWaalsContact O-N 3.12Å; F156-Q159 PolarHBondContact O-N 3.22Å; E157-Q159 VanDerWaalsContact C-N 3.26Å; E157-Q159 PolarHBondContact O-N 3.12Å
160F81.3Confident88.3Confident59 Ų5970 Ų7026%0.25935%0.353SS..Hα-helixtrans-127.7-8.7-167.7-52.7-63.1000114.6K146 F151 F156 Y162K146-F160 HydrophobicContact CD-CD2 4.18Å; K146-F160 HydrophobicContact CD-CE1 4.4Å; K146-F160 HydrophobicContact CD-CE2 4.05Å; K146-F160 HydrophobicContact CD-CG 4.41Å; K146-F160 HydrophobicContact CD-CZ 4.15Å; F151-F160 HydrophobicContact CD1-CE2 4.16Å; F151-F160 AromaticContact CE1-CE2 3.91Å; F151-F160 HydrophobicContact CE1-CE2 3.91Å; F151-F160 HydrophobicContact CE1-CZ 4.28Å; F151-F160 HydrophobicContact CE2-CE2 4.34Å; F151-F160 HydrophobicContact CG-CE2 4.48Å; F151-F160 HydrophobicContact CZ-CE2 4.02Å; F151-F160 HydrophobicContact CZ-CZ 4.17Å; F156-F160 HydrophobicContact CD1-CB 4.48Å; F156-F160 HydrophobicContact CD1-CD2 4.4Å; F156-F160 AromaticContact CD2-CD2 3.49Å; F156-F160 HydrophobicContact CD2-CD2 3.49Å; F156-F160 VanDerWaalsContact CD2-CD2 3.49Å; F156-F160 AromaticContact CD2-CE2 3.97Å; F156-F160 HydrophobicContact CD2-CE2 3.97Å; F156-F160 HydrophobicContact CE1-CB 4.18Å; F156-F160 AromaticContact CE2-CD2 3.62Å; F156-F160 HydrophobicContact CE2-CD2 3.62Å; F156-F160 HydrophobicContact CE2-CE2 4.19Å; F156-F160 HydrophobicContact CE2-CG 4.35Å; F156-F160 AromaticContact CG-CD2 3.92Å; F156-F160 HydrophobicContact CG-CD2 3.92Å; F156-F160 HydrophobicContact CZ-CB 4.2Å; F156-F160 HydrophobicContact CZ-CD2 4.13Å; F156-F160 HydrophobicContact CZ-CG 4.48Å; F156-F160 WeakPolarHBondContact O-CB 3.37Å; F156-F160 WeakPolarHBondContact O-CD2 3.47Å; F156-F160 PolarHBondContact O-N 3.02Å; F160-Y162 PolarHBondContact O-N 2.95Å
161A80.5Confident88Confident26 Ų2669.1 Ų69.122%0.21535%0.351CS..PPolyproline II helixtrans-70.5134.817700000110.7E157 Q163 A170E157-A161 HydrophobicContact CB-CB 4.41Å; E157-A161 WeakPolarHBondContact O-CB 3.48Å; E157-A161 PolarHBondContact O-N 2.8Å; A161-Q163 PolarHBondContact O-N 3.48Å; A161-A170 HydrophobicContact CB-CB 3.65Å
162Y83.4Confident87.2Confident176 Ų17672.3 Ų72.369%0.6937%0.371SS*.PPolyproline II helixtrans-59.7135.8167.8-70.7-70.4000110.2F160 I171 P182F160-Y162 PolarHBondContact O-N 2.95Å; Y162-I171 WeakPolarHBondContact O-CB 3Å; Y162-I171 PolarHBondContact O-N 2.98Å; Y162-P182 HydrophobicContact CD1-CG 4.29Å; Y162-P182 HydrophobicContact CG-CB 4.39Å; Y162-P182 HydrophobicContact CG-CG 4.32Å
163Q89.2Confident86.4Confident131 Ų13177.4 Ų77.461%0.61240%0.401SS*.BIsolated β-bridgetrans-91.6128.7178.1-68179.5-32.700110.4A161 C165 P182A161-Q163 PolarHBondContact O-N 3.48Å; Q163-C165 PolarHBondContact O-N 3.33Å; Q163-P182 WeakPolarHBondContact O-CG 3.41Å
164C91.8Very high85.8Confident0 Ų077.7 Ų77.70%041%0.413CS..PPolyproline II helixtrans-59128.4176.4175.20000111.1A166 C167 K168 K169 I171 P182 H184 C187C164-A166 PolarHBondContact O-N 3.02Å; C164-C167 VanDerWaalsContact CB-SG 3.56Å; C164-K168 VanDerWaalsContact O-CA 3.22Å; C164-K168 WeakPolarHBondContact O-CA 3.26Å; C164-K168 PolarHBondContact O-N 2.93Å; C164-K169 PolarHBondContact N-O 3.43Å; C164-I171 HydrophobicContact CB-CD1 3.91Å; C164-I171 HydrophobicContact CB-CG1 3.91Å; C164-P182 WeakPolarHBondContact CA-O 3.39Å; C164-H184 VanDerWaalsContact CB-CE1 3.46Å; C164-H184 WeakPolarHBondContact CB-CE1 3.15Å; C164-H184 WeakPolarHBondContact CB-ND1 3.46Å; C164-H184 PolarHBondContact SG-N 2.95Å; C164-H184 VanDerWaalsContact SG-N 3.42Å; C164-H184 PolarHBondContact SG-ND1 2.98Å; C164-H184 VanDerWaalsContact SG-ND1 3.39Å; C164-C187 WeakPolarHBondContact SG-CB 3.38Å
165C90.8Very high85.8Confident35 Ų3575 Ų7524%0.23640%0.401CS..THydrogen-bonded Turntrans-62.3-30.4-178.2-84.60000113.5Q163 K168 K181 P182 W183Q163-C165 PolarHBondContact O-N 3.33Å; C165-K168 PolarHBondContact O-NZ 3.24Å; C165-K181 HydrophobicContact CB-CB 4.46Å; C165-K181 VanDerWaalsContact SG-CB 3.57Å; C165-P182 PolarHBondContact N-O 2.88Å; C165-W183 HydrophobicContact CB-CD2 4Å; C165-W183 HydrophobicContact CB-CE3 4.31Å; C165-W183 HydrophobicContact CB-CH2 3.92Å; C165-W183 HydrophobicContact CB-CZ2 3.59Å; C165-W183 HydrophobicContact CB-CZ3 4.28Å
166A90.9Very high85.8Confident51 Ų5175.7 Ų75.742%0.42141%0.405SS..THydrogen-bonded Turntrans-77.8-58.617700000112.9C164 W183 C187C164-A166 PolarHBondContact O-N 3.02Å; A166-W183 HydrophobicContact CB-CE3 3.63Å; A166-W183 HydrophobicContact CB-CZ3 3.42Å; A166-W183 VanDerWaalsContact CB-CZ3 3.42Å; A166-C187 HydrophobicContact CB-CB 3.81Å
167C92.4Very high86Confident49 Ų4978.6 Ų78.633%0.33143%0.426SS..THydrogen-bonded Turntrans-99.8-5.4-168.774.50000114.5C164 K169 H184C164-C167 VanDerWaalsContact CB-SG 3.56Å; C167-K169 PolarHBondContact O-N 2.9Å; C167-K169 PolarHBondContact SG-N 3.01Å; C167-H184 PolarHBondContact SG-CE1 3.49Å; C167-H184 PolarHBondContact SG-ND1 3.47Å
168K89.6Confident86.2Confident139 Ų13977.3 Ų77.360%0.60442%0.419SS*.  trans60.97.4-177-49-54.3-173.5-165.40115.5C164 C165C164-K168 VanDerWaalsContact O-CA 3.22Å; C164-K168 WeakPolarHBondContact O-CA 3.26Å; C164-K168 PolarHBondContact O-N 2.93Å; C165-K168 PolarHBondContact O-NZ 3.24Å
169K88.1Confident86.5Confident148 Ų14872.1 Ų72.164%0.64340%0.398SS*.  trans-85.1152.9174.8-59.7179.4-178.4178.60111C164 C167C164-K169 PolarHBondContact N-O 3.43Å; C167-K169 PolarHBondContact O-N 2.9Å; C167-K169 PolarHBondContact SG-N 3.01Å
170A86.1Confident86.8Confident37 Ų3775.1 Ų75.131%0.30642%0.417SS..BIsolated β-bridgetrans-57.9139174.100000111.6A161 T172 H184A161-A170 HydrophobicContact CB-CB 3.65Å; A170-T172 HydrophobicContact CB-CG2 4.14Å; A170-H184 PolarHBondContact O-CE1 3.39Å; A170-H184 PolarHBondContact O-NE2 3.29Å
171I86.7Confident87.3Confident28 Ų2877.7 Ų77.714%0.14443%0.428CS..  trans-94.698.4171.3-63.4161.7000106.9Y162 C164 G174 P182Y162-I171 WeakPolarHBondContact O-CB 3Å; Y162-I171 PolarHBondContact O-N 2.98Å; C164-I171 HydrophobicContact CB-CD1 3.91Å; C164-I171 HydrophobicContact CB-CG1 3.91Å; I171-G174 WeakPolarHBondContact CG2-O 3.06Å; I171-P182 HydrophobicContact CD1-CB 3.68Å; I171-P182 HydrophobicContact CD1-CG 4.4Å
172T76.9Confident87.8Confident75 Ų7577.7 Ų77.746%0.4643%0.426SS..  trans-92.6-32.1-173.154.90000112.8E157 A170E157-T172 HydrophobicContact CB-CG2 4.17Å; E157-T172 HydrophobicContact CG-CG2 3.76Å; E157-T172 VanDerWaalsContact OE1-CB 3.3Å; E157-T172 WeakPolarHBondContact OE1-CB 3.3Å; E157-T172 VanDerWaalsContact OE1-CG2 3.29Å; E157-T172 WeakPolarHBondContact OE1-CG2 3.35Å; A170-T172 HydrophobicContact CB-CG2 4.14Å
173T76.7Confident88.3Confident129 Ų12971.7 Ų71.779%0.79140%0.402SS*.SBendtrans-140.5105.4-178-53.90000111.2
174G77.4Confident88.5Confident48 Ų4866.6 Ų66.650%0.49538%0.378SS..  trans64.8157.1177.600000113.1I171I171-G174 WeakPolarHBondContact CG2-O 3.06Å
175G88.9Confident88.6Confident31 Ų3173.3 Ų73.332%0.3240%0.403SS..  trans-175.1-174-178.400000110.1W183G175-W183 WeakPolarHBondContact CA-O 3.46Å
176V92.4Very high88.7Confident34 Ų3477.1 Ų77.121%0.20642%0.418CS..EExtended strand (participates in β ladder)trans-127.2142.2166.8-63.80000109W183 R185 F188V176-W183 HydrophobicContact CG2-CB 3.95Å; V176-W183 PolarHBondContact N-O 3.3Å; V176-W183 PolarHBondContact O-N 2.94Å; V176-R185 HydrophobicContact CG1-CG 4.2Å; V176-F188 HydrophobicContact CG2-CB 3.67Å; V176-F188 HydrophobicContact CG2-CD1 4.05Å; V176-F188 HydrophobicContact CG2-CD2 4.39Å; V176-F188 HydrophobicContact CG2-CG 3.78Å
177T92Very high88.9Confident107 Ų10776 Ų7666%0.65641%0.406SS*.EExtended strand (participates in β ladder)trans-102.6124.5170.5-55.60000107.5K181T177-K181 WeakPolarHBondContact CA-O 3.24Å
178Y91Very high89.1Confident34 Ų3473.9 Ų73.913%0.13339%0.391CS..EExtended strand (participates in β ladder)trans-133.8124.2176.5173.9-105.5000108.8D180 K181 F188 F202 S204Y178-D180 VanDerWaalsContact C-N 3.29Å; Y178-D180 PolarHBondContact O-N 3.07Å; Y178-K181 PolarHBondContact N-O 2.78Å; Y178-K181 WeakPolarHBondContact O-CB 3.39Å; Y178-K181 PolarHBondContact O-N 3.32Å; Y178-F188 AromaticContact CD1-CE2 3.61Å; Y178-F188 HydrophobicContact CD1-CE2 3.61Å; Y178-F188 AromaticContact CD1-CZ 4Å; Y178-F188 HydrophobicContact CD1-CZ 4Å; Y178-F188 HydrophobicContact CD2-CE2 4.31Å; Y178-F188 AromaticContact CD2-CZ 3.9Å; Y178-F188 HydrophobicContact CD2-CZ 3.9Å; Y178-F188 HydrophobicContact CE1-CE2 4.39Å; Y178-F188 AromaticContact CG-CE2 3.56Å; Y178-F188 HydrophobicContact CG-CE2 3.56Å; Y178-F188 AromaticContact CG-CZ 3.62Å; Y178-F188 HydrophobicContact CG-CZ 3.62Å; Y178-F202 AromaticContact CD2-CE2 3.99Å; Y178-F202 HydrophobicContact CD2-CE2 3.99Å; Y178-F202 AromaticContact CD2-CZ 3.79Å; Y178-F202 HydrophobicContact CD2-CZ 3.79Å; Y178-F202 AromaticContact CE2-CE2 3.58Å; Y178-F202 HydrophobicContact CE2-CE2 3.58Å; Y178-F202 AromaticContact CE2-CZ 3.81Å; Y178-F202 HydrophobicContact CE2-CZ 3.81Å; Y178-S204 WeakPolarHBondContact OH-CB 3.02Å; Y178-S204 PolarHBondContact OH-OG 3.02Å; Y178-S204 VanDerWaalsContact OH-OG 3.07Å
179Q89.3Confident89.4Confident84 Ų8469 Ų6939%0.39337%0.372SS..THydrogen-bonded Turntrans49.648.9-172.8-62.3-179.3-22.200112.2K181 N207Q179-K181 PolarHBondContact O-N 2.89Å; Q179-N207 PolarHBondContact NE2-OD1 3Å; Q179-N207 PolarHBondContact OE1-OD1 3.04Å
180D88.3Confident89.7Confident156 Ų15662 Ų6283%0.83434%0.341SS*.THydrogen-bonded Turntrans57.19.1-176.6-55-47.5000115.7Y178Y178-D180 VanDerWaalsContact C-N 3.29Å; Y178-D180 PolarHBondContact O-N 3.07Å
181K90.5Very high90Very high113 Ų11364.2 Ų64.249%0.49135%0.347SS..EExtended strand (participates in β ladder)trans-101.5133.3177.2-73.9174.7-175.7174.40110C165 T177 Y178 Q179 W183C165-K181 HydrophobicContact CB-CB 4.46Å; C165-K181 VanDerWaalsContact SG-CB 3.57Å; T177-K181 WeakPolarHBondContact CA-O 3.24Å; Y178-K181 PolarHBondContact N-O 2.78Å; Y178-K181 WeakPolarHBondContact O-CB 3.39Å; Y178-K181 PolarHBondContact O-N 3.32Å; Q179-K181 PolarHBondContact O-N 2.89Å; K181-W183 PolarHBondContact O-NE1 2.87Å
182P92.5Very high90.2Very high26 Ų2665.2 Ų65.217%0.16937%0.365CS..EExtended strand (participates in β ladder)trans-86.6139.1-179.335.2-35.5000110.8Y162 Q163 C164 C165 I171Y162-P182 HydrophobicContact CD1-CG 4.29Å; Y162-P182 HydrophobicContact CG-CB 4.39Å; Y162-P182 HydrophobicContact CG-CG 4.32Å; Q163-P182 WeakPolarHBondContact O-CG 3.41Å; C164-P182 WeakPolarHBondContact CA-O 3.39Å; C165-P182 PolarHBondContact N-O 2.88Å; I171-P182 HydrophobicContact CD1-CB 3.68Å; I171-P182 HydrophobicContact CD1-CG 4.4Å
183W93.6Very high91Very high51 Ų5164.7 Ų64.719%0.19336%0.363CS..EExtended strand (participates in β ladder)trans-136.3146179-55.576.3000110.2C165 A166 G175 V176 K181 F188C165-W183 HydrophobicContact CB-CD2 4Å; C165-W183 HydrophobicContact CB-CE3 4.31Å; C165-W183 HydrophobicContact CB-CH2 3.92Å; C165-W183 HydrophobicContact CB-CZ2 3.59Å; C165-W183 HydrophobicContact CB-CZ3 4.28Å; A166-W183 HydrophobicContact CB-CE3 3.63Å; A166-W183 HydrophobicContact CB-CZ3 3.42Å; A166-W183 VanDerWaalsContact CB-CZ3 3.42Å; G175-W183 WeakPolarHBondContact CA-O 3.46Å; V176-W183 HydrophobicContact CG2-CB 3.95Å; V176-W183 PolarHBondContact N-O 3.3Å; V176-W183 PolarHBondContact O-N 2.94Å; K181-W183 PolarHBondContact O-NE1 2.87Å; W183-F188 HydrophobicContact CB-CB 4.19Å; W183-F188 HydrophobicContact CB-CD2 4.42Å; W183-F188 HydrophobicContact CD2-CD2 4.1Å; W183-F188 HydrophobicContact CE3-CD2 4.46Å; W183-F188 HydrophobicContact CG-CD2 4.04Å
184H93.6Very high91.9Very high24 Ų2467.1 Ų67.111%0.11136%0.358CS..  trans-63.8150.4159.8-60.5104.8000109.7C164 C167 A170 E186 C187 F188C164-H184 VanDerWaalsContact CB-CE1 3.46Å; C164-H184 WeakPolarHBondContact CB-CE1 3.15Å; C164-H184 WeakPolarHBondContact CB-ND1 3.46Å; C164-H184 PolarHBondContact SG-N 2.95Å; C164-H184 VanDerWaalsContact SG-N 3.42Å; C164-H184 PolarHBondContact SG-ND1 2.98Å; C164-H184 VanDerWaalsContact SG-ND1 3.39Å; C167-H184 PolarHBondContact SG-CE1 3.49Å; C167-H184 PolarHBondContact SG-ND1 3.47Å; A170-H184 PolarHBondContact O-CE1 3.39Å; A170-H184 PolarHBondContact O-NE2 3.29Å; H184-E186 VanDerWaalsContact CB-CD 3.49Å; H184-E186 HydrophobicContact CB-CG 4.19Å; H184-E186 WeakPolarHBondContact CB-OE1 3.1Å; H184-E186 IonicContact CD2-OE1 2.94Å; H184-E186 IonicContact CG-OE1 3.58Å; H184-E186 PolarHBondContact O-N 3.42Å; H184-C187 HydrophobicContact CB-CB 3.91Å; H184-C187 PolarHBondContact O-N 3.19Å; H184-F188 PolarHBondContact O-N 3.34Å; H184-F188 VanDerWaalsContact O-N 3.08Å
185R93.3Very high92.7Very high141 Ų14170.6 Ų70.653%0.53236%0.359SS..THydrogen-bonded Turntrans-58.9-40.3-179.6-71.5-178.9178.1-172.51.2111.5V176 Q196 S198V176-R185 HydrophobicContact CG1-CG 4.2Å; R185-Q196 WeakPolarHBondContact O-CG 3.5Å; R185-S198 PolarHBondContact O-OG 3.26Å
186E93.6Very high93Very high114 Ų11473 Ų7353%0.53336%0.362SS..THydrogen-bonded Turntrans-76.8-18.3176.766.5-84.3-169.300113.9H184 L189H184-E186 VanDerWaalsContact CB-CD 3.49Å; H184-E186 HydrophobicContact CB-CG 4.19Å; H184-E186 WeakPolarHBondContact CB-OE1 3.1Å; H184-E186 IonicContact CD2-OE1 2.94Å; H184-E186 IonicContact CG-OE1 3.58Å; H184-E186 PolarHBondContact O-N 3.42Å; E186-L189 WeakPolarHBondContact O-CD2 3.37Å; E186-L189 VanDerWaalsContact O-CG 3.3Å; E186-L189 WeakPolarHBondContact O-CG 3.47Å
187C94.6Very high93.2Very high27 Ų2771.4 Ų71.418%0.18235%0.353CS..THydrogen-bonded Turntrans-89.2-16174.7-71.80000112.5C164 A166 H184 L189C164-C187 WeakPolarHBondContact SG-CB 3.38Å; A166-C187 HydrophobicContact CB-CB 3.81Å; H184-C187 HydrophobicContact CB-CB 3.91Å; H184-C187 PolarHBondContact O-N 3.19Å; C187-L189 PolarHBondContact O-N 3.28Å; C187-L189 VanDerWaalsContact O-N 3.1Å
188F95.6Very high93.2Very high5 Ų567 Ų672%0.02233%0.326CS..  trans-8480.8177.5-166-116.5000110.7V176 Y178 W183 H184 L197 F202 P209V176-F188 HydrophobicContact CG2-CB 3.67Å; V176-F188 HydrophobicContact CG2-CD1 4.05Å; V176-F188 HydrophobicContact CG2-CD2 4.39Å; V176-F188 HydrophobicContact CG2-CG 3.78Å; Y178-F188 AromaticContact CD1-CE2 3.61Å; Y178-F188 HydrophobicContact CD1-CE2 3.61Å; Y178-F188 AromaticContact CD1-CZ 4Å; Y178-F188 HydrophobicContact CD1-CZ 4Å; Y178-F188 HydrophobicContact CD2-CE2 4.31Å; Y178-F188 AromaticContact CD2-CZ 3.9Å; Y178-F188 HydrophobicContact CD2-CZ 3.9Å; Y178-F188 HydrophobicContact CE1-CE2 4.39Å; Y178-F188 AromaticContact CG-CE2 3.56Å; Y178-F188 HydrophobicContact CG-CE2 3.56Å; Y178-F188 AromaticContact CG-CZ 3.62Å; Y178-F188 HydrophobicContact CG-CZ 3.62Å; W183-F188 HydrophobicContact CB-CB 4.19Å; W183-F188 HydrophobicContact CB-CD2 4.42Å; W183-F188 HydrophobicContact CD2-CD2 4.1Å; W183-F188 HydrophobicContact CE3-CD2 4.46Å; W183-F188 HydrophobicContact CG-CD2 4.04Å; H184-F188 PolarHBondContact O-N 3.34Å; H184-F188 VanDerWaalsContact O-N 3.08Å; F188-L197 HydrophobicContact CD1-CB 3.68Å; F188-L197 HydrophobicContact CE1-CB 3.73Å; F188-L197 HydrophobicContact CE1-CD1 4.41Å; F188-L197 PolarHBondContact O-N 2.72Å; F188-F202 HydrophobicContact CE1-CD1 4.25Å; F188-F202 AromaticContact CE1-CE1 3.82Å; F188-F202 HydrophobicContact CE1-CE1 3.82Å; F188-F202 HydrophobicContact CE1-CE2 4.14Å; F188-F202 AromaticContact CE1-CZ 3.76Å; F188-F202 HydrophobicContact CE1-CZ 3.76Å; F188-F202 HydrophobicContact CZ-CD2 4.39Å; F188-F202 HydrophobicContact CZ-CE1 4.22Å; F188-F202 AromaticContact CZ-CE2 3.76Å; F188-F202 HydrophobicContact CZ-CE2 3.76Å; F188-F202 AromaticContact CZ-CZ 3.67Å; F188-F202 HydrophobicContact CZ-CZ 3.67Å; F188-P209 HydrophobicContact CE2-CB 4.27Å; F188-P209 HydrophobicContact CE2-CG 4.17Å; F188-P209 HydrophobicContact CZ-CB 4.18Å
189L95.5Very high93.1Very high36 Ų3669.5 Ų69.519%0.18836%0.362CS..BIsolated β-bridgetrans-113.4150.3-170.2-56.2-179000112.2E186 C187 R194 K195 Q196E186-L189 WeakPolarHBondContact O-CD2 3.37Å; E186-L189 VanDerWaalsContact O-CG 3.3Å; E186-L189 WeakPolarHBondContact O-CG 3.47Å; C187-L189 PolarHBondContact O-N 3.28Å; C187-L189 VanDerWaalsContact O-N 3.1Å; L189-R194 WeakPolarHBondContact CD2-O 3.3Å; L189-K195 CarbonylContact C-O 3.55Å; L189-K195 WeakPolarHBondContact CA-O 3.39Å; L189-Q196 HydrophobicContact CD2-CB 4.02Å
190C95.2Very high93.2Very high1 Ų172.6 Ų72.61%0.00737%0.372CS..  trans-60.2133.2168178.60000110.5G192 R194 K195 L197 C211C190-G192 VanDerWaalsContact C-N 3.33Å; C190-G192 PolarHBondContact O-N 2.89Å; C190-G192 PolarHBondContact SG-N 3.08Å; C190-G192 VanDerWaalsContact SG-N 3.36Å; C190-R194 WeakPolarHBondContact O-CA 3.43Å; C190-R194 PolarHBondContact O-N 3.44Å; C190-K195 PolarHBondContact N-O 3.3Å; C190-L197 HydrophobicContact CB-CD1 4.33Å; C190-L197 HydrophobicContact CB-CD2 4.02Å; C190-L197 HydrophobicContact CB-CG 4.27Å; C190-C211 HydrophobicContact CB-CB 4.3Å; C190-C211 PolarHBondContact SG-N 3.47Å
191I92.8Very high93.3Very high85 Ų8575.5 Ų75.544%0.43637%0.371SS..THydrogen-bonded Turntrans-68.3-34.7176.5-62.4-154.6000112.3Y208 P209 Y210I191-Y208 HydrophobicContact CD1-CD1 3.14Å; I191-Y208 HydrophobicContact CD1-CE1 3.99Å; I191-Y208 HydrophobicContact CD1-CG 3.58Å; I191-P209 PolarHBondContact N-O 3.12Å; I191-Y210 HydrophobicContact CB-CE1 4.22Å
192G90.9Very high93.4Very high49 Ų4973.5 Ų73.551%0.50536%0.362SS..THydrogen-bonded Turntrans-71.9-43-178.700000114.2C190C190-G192 VanDerWaalsContact C-N 3.33Å; C190-G192 PolarHBondContact O-N 2.89Å; C190-G192 PolarHBondContact SG-N 3.08Å; C190-G192 VanDerWaalsContact SG-N 3.36Å
193C94.4Very high93.4Very high63 Ų6374.2 Ų74.243%0.42637%0.366SS..THydrogen-bonded Turntrans-127.21.5-171.667.90000115K195 C211 C214C193-K195 PolarHBondContact O-N 3.01Å; C193-K195 VanDerWaalsContact SG-CB 3.56Å; C193-C211 VanDerWaalsContact SG-SG 3.69Å; C193-C214 VanDerWaalsContact CB-SG 3.56Å; C193-C214 VanDerWaalsContact SG-SG 3.61Å
194R94.6Very high93.2Very high181 Ų18174 Ų7468%0.68337%0.373SS*.  trans61.39.9-179.2-55.4-74.4-67.5-170.7-3115.2L189 C190L189-R194 WeakPolarHBondContact CD2-O 3.3Å; C190-R194 WeakPolarHBondContact O-CA 3.43Å; C190-R194 PolarHBondContact O-N 3.44Å
195K94.4Very high93Very high120 Ų12078 Ų7852%0.52239%0.387SS..  trans-67.1140.1174.4-172.8175.3179.3178.10111L189 C190 C193 L197L189-K195 CarbonylContact C-O 3.55Å; L189-K195 WeakPolarHBondContact CA-O 3.39Å; C190-K195 PolarHBondContact N-O 3.3Å; C193-K195 PolarHBondContact O-N 3.01Å; C193-K195 VanDerWaalsContact SG-CB 3.56Å; K195-L197 PolarHBondContact O-N 3.39Å
196Q95.4Very high92.7Very high81 Ų8177.9 Ų77.938%0.37939%0.392SS..BIsolated β-bridgetrans-61.4128.8175.2-178.8173.9-17.500111.4R185 L189 S198R185-Q196 WeakPolarHBondContact O-CG 3.5Å; L189-Q196 HydrophobicContact CD2-CB 4.02Å; Q196-S198 VanDerWaalsContact CG-OG 3.24Å; Q196-S198 WeakPolarHBondContact CG-OG 3.24Å; Q196-S198 PolarHBondContact NE2-OG 2.87Å
197L95.4Very high92.2Very high2 Ų277.7 Ų77.71%0.0140%0.395CS..  trans-101.1-16.4-178.7-62179.8000113F188 C190 K195 G199 Y200 F202 P209 C211F188-L197 HydrophobicContact CD1-CB 3.68Å; F188-L197 HydrophobicContact CE1-CB 3.73Å; F188-L197 HydrophobicContact CE1-CD1 4.41Å; F188-L197 PolarHBondContact O-N 2.72Å; C190-L197 HydrophobicContact CB-CD1 4.33Å; C190-L197 HydrophobicContact CB-CD2 4.02Å; C190-L197 HydrophobicContact CB-CG 4.27Å; K195-L197 PolarHBondContact O-N 3.39Å; L197-G199 PolarHBondContact O-N 3.07Å; L197-Y200 PolarHBondContact O-N 3.13Å; L197-F202 HydrophobicContact CB-CB 4.29Å; L197-F202 HydrophobicContact CB-CD1 4.38Å; L197-F202 HydrophobicContact CB-CG 4.36Å; L197-F202 HydrophobicContact CD1-CB 3.97Å; L197-F202 HydrophobicContact CD1-CD2 4.33Å; L197-F202 HydrophobicContact CD1-CG 4.21Å; L197-F202 HydrophobicContact CD2-CB 3.87Å; L197-F202 HydrophobicContact CG-CB 4.27Å; L197-P209 HydrophobicContact CD1-CB 3.66Å; L197-P209 HydrophobicContact CD1-CG 4.29Å; L197-C211 HydrophobicContact CD2-CB 3.8Å
198S92.1Very high91.9Very high14 Ų1482.3 Ų82.310%0.09841%0.409CS..THydrogen-bonded Turntrans-62.5123.9178.152.10000110.6R185 Q196 Y200R185-S198 PolarHBondContact O-OG 3.26Å; Q196-S198 VanDerWaalsContact CG-OG 3.24Å; Q196-S198 WeakPolarHBondContact CG-OG 3.24Å; Q196-S198 PolarHBondContact NE2-OG 2.87Å; S198-Y200 VanDerWaalsContact C-N 3.32Å; S198-Y200 WeakPolarHBondContact O-CD2 3.22Å
199G89.4Confident91.7Very high87 Ų8782.6 Ų82.690%0.89741%0.412SS*.THydrogen-bonded Turntrans81.5-0.8-175.200000115.6L197L197-G199 PolarHBondContact O-N 3.07Å
200Y91.5Very high91.6Very high149 Ų14982 Ų8258%0.58441%0.407SS*.SBendtrans-116.3159.7178.8-65.3-83.9000111.6L197 S198L197-Y200 PolarHBondContact O-N 3.13Å; S198-Y200 VanDerWaalsContact C-N 3.32Å; S198-Y200 WeakPolarHBondContact O-CD2 3.22Å
201R90.1Very high91.6Very high216 Ų21682.5 Ų82.582%0.81541%0.41SS*.  trans-69.7134.2171.9-73-177165153-3110.5L212R201-L212 HydrophobicContact CB-CD1 3.91Å; R201-L212 HydrophobicContact CB-CG 4.39Å
202F93.6Very high91.4Very high71 Ų7180.6 Ų80.631%0.31140%0.401SS..EExtended strand (participates in β ladder)trans-148169.4178.874.1-87.1000109.9Y178 F188 L197 P209 Y210Y178-F202 AromaticContact CD2-CE2 3.99Å; Y178-F202 HydrophobicContact CD2-CE2 3.99Å; Y178-F202 AromaticContact CD2-CZ 3.79Å; Y178-F202 HydrophobicContact CD2-CZ 3.79Å; Y178-F202 AromaticContact CE2-CE2 3.58Å; Y178-F202 HydrophobicContact CE2-CE2 3.58Å; Y178-F202 AromaticContact CE2-CZ 3.81Å; Y178-F202 HydrophobicContact CE2-CZ 3.81Å; F188-F202 HydrophobicContact CE1-CD1 4.25Å; F188-F202 AromaticContact CE1-CE1 3.82Å; F188-F202 HydrophobicContact CE1-CE1 3.82Å; F188-F202 HydrophobicContact CE1-CE2 4.14Å; F188-F202 AromaticContact CE1-CZ 3.76Å; F188-F202 HydrophobicContact CE1-CZ 3.76Å; F188-F202 HydrophobicContact CZ-CD2 4.39Å; F188-F202 HydrophobicContact CZ-CE1 4.22Å; F188-F202 AromaticContact CZ-CE2 3.76Å; F188-F202 HydrophobicContact CZ-CE2 3.76Å; F188-F202 AromaticContact CZ-CZ 3.67Å; F188-F202 HydrophobicContact CZ-CZ 3.67Å; L197-F202 HydrophobicContact CB-CB 4.29Å; L197-F202 HydrophobicContact CB-CD1 4.38Å; L197-F202 HydrophobicContact CB-CG 4.36Å; L197-F202 HydrophobicContact CD1-CB 3.97Å; L197-F202 HydrophobicContact CD1-CD2 4.33Å; L197-F202 HydrophobicContact CD1-CG 4.21Å; L197-F202 HydrophobicContact CD2-CB 3.87Å; L197-F202 HydrophobicContact CG-CB 4.27Å; F202-P209 HydrophobicContact CD2-CB 4.27Å; F202-P209 HydrophobicContact CE2-CB 4.48Å; F202-Y210 WeakPolarHBondContact CA-O 3.15Å; F202-Y210 WeakPolarHBondContact CB-O 3.32Å
203T90.8Very high91.3Very high42 Ų4283.5 Ų83.526%0.25841%0.405SS..EExtended strand (participates in β ladder)trans-137.2171.5172.5-174.40000109.3Y210 L212 F215T203-Y210 PolarHBondContact N-O 2.9Å; T203-Y210 PolarHBondContact O-N 2.87Å; T203-Y210 VanDerWaalsContact O-O 3.07Å; T203-L212 HydrophobicContact CG2-CD2 4.18Å; T203-F215 HydrophobicContact CG2-CB 3.53Å; T203-F215 HydrophobicContact CG2-CD1 3.67Å; T203-F215 HydrophobicContact CG2-CD2 3.36Å; T203-F215 HydrophobicContact CG2-CE1 4.18Å; T203-F215 HydrophobicContact CG2-CE2 3.9Å; T203-F215 HydrophobicContact CG2-CG 3.21Å; T203-F215 HydrophobicContact CG2-CZ 4.28Å
204S91.1Very high91.2Very high47 Ų4781.4 Ų81.433%0.32939%0.39SS..EExtended strand (participates in β ladder)trans-137.4146.7-178.363.40000112.1Y178 Y208Y178-S204 WeakPolarHBondContact OH-CB 3.02Å; Y178-S204 PolarHBondContact OH-OG 3.02Å; Y178-S204 VanDerWaalsContact OH-OG 3.07Å; S204-Y208 VanDerWaalsContact CA-O 3.24Å; S204-Y208 WeakPolarHBondContact CA-O 3.1Å
205R87.8Confident91Very high107 Ų10775.1 Ų75.140%0.40437%0.368SS..EExtended strand (participates in β ladder)trans-136.4134.7169.9176.5173.9-177.91575.9108.9N207 Y208 Y210 F215R205-N207 PolarHBondContact O-N 2.8Å; R205-N207 VanDerWaalsContact O-N 3.13Å; R205-Y208 PolarHBondContact N-O 3.25Å; R205-Y208 VanDerWaalsContact N-O 3.07Å; R205-Y208 WeakPolarHBondContact O-CB 3.37Å; R205-Y208 PolarHBondContact O-N 3.49Å; R205-Y210 HydrophobicContact CB-CE2 4.39Å; R205-F215 HydrophobicContact CB-CE2 3.97Å
206E87Confident90.7Very high139 Ų13969.9 Ų69.965%0.6535%0.347SS*.THydrogen-bonded Turntrans52.137.3-179.3-64.6164.1-150.200112.6Y208E206-Y208 HydrophobicContact CB-CD2 4.3Å; E206-Y208 PolarHBondContact O-N 3.06Å
207N83.3Confident90.2Very high109 Ų10970.5 Ų70.558%0.58335%0.353SS*.THydrogen-bonded Turntrans67.76.1-175.7-53.3-49.9000116.3Q179 R205Q179-N207 PolarHBondContact NE2-OD1 3Å; Q179-N207 PolarHBondContact OE1-OD1 3.04Å; R205-N207 PolarHBondContact O-N 2.8Å; R205-N207 VanDerWaalsContact O-N 3.13Å
208Y88.2Confident89.7Confident125 Ų12575.2 Ų75.249%0.4938%0.378SS..EExtended strand (participates in β ladder)trans-94.4123.2175.6-66.9-51.9000111.3I191 S204 R205 E206 Y210I191-Y208 HydrophobicContact CD1-CD1 3.14Å; I191-Y208 HydrophobicContact CD1-CE1 3.99Å; I191-Y208 HydrophobicContact CD1-CG 3.58Å; S204-Y208 VanDerWaalsContact CA-O 3.24Å; S204-Y208 WeakPolarHBondContact CA-O 3.1Å; R205-Y208 PolarHBondContact N-O 3.25Å; R205-Y208 VanDerWaalsContact N-O 3.07Å; R205-Y208 WeakPolarHBondContact O-CB 3.37Å; R205-Y208 PolarHBondContact O-N 3.49Å; E206-Y208 HydrophobicContact CB-CD2 4.3Å; E206-Y208 PolarHBondContact O-N 3.06Å; Y208-Y210 WeakPolarHBondContact O-CD2 3.26Å; Y208-Y210 WeakPolarHBondContact O-CE2 3.36Å
209P92.8Very high89.3Confident11 Ų1178.6 Ų78.67%0.07139%0.389CS..EExtended strand (participates in β ladder)trans-82.3134-179.433.6-35.8000111.7F188 I191 L197 F202F188-P209 HydrophobicContact CE2-CB 4.27Å; F188-P209 HydrophobicContact CE2-CG 4.17Å; F188-P209 HydrophobicContact CZ-CB 4.18Å; I191-P209 PolarHBondContact N-O 3.12Å; L197-P209 HydrophobicContact CD1-CB 3.66Å; L197-P209 HydrophobicContact CD1-CG 4.29Å; F202-P209 HydrophobicContact CD2-CB 4.27Å; F202-P209 HydrophobicContact CE2-CB 4.48Å
210Y93.5Very high89.1Confident23 Ų2375.7 Ų75.79%0.0936%0.356CS..EExtended strand (participates in β ladder)trans-126.2140.8178.6-64.9-90000110.3I191 F202 T203 R205 Y208 C214 F215 L218 Y219I191-Y210 HydrophobicContact CB-CE1 4.22Å; F202-Y210 WeakPolarHBondContact CA-O 3.15Å; F202-Y210 WeakPolarHBondContact CB-O 3.32Å; T203-Y210 PolarHBondContact N-O 2.9Å; T203-Y210 PolarHBondContact O-N 2.87Å; T203-Y210 VanDerWaalsContact O-O 3.07Å; R205-Y210 HydrophobicContact CB-CE2 4.39Å; Y208-Y210 WeakPolarHBondContact O-CD2 3.26Å; Y208-Y210 WeakPolarHBondContact O-CE2 3.36Å; Y210-C214 HydrophobicContact CD1-CB 4.33Å; Y210-F215 HydrophobicContact CD2-CD2 4.21Å; Y210-F215 HydrophobicContact CG-CD2 4.34Å; Y210-L218 HydrophobicContact CD1-CD1 4.2Å; Y210-L218 HydrophobicContact CE1-CD1 3.81Å; Y210-Y219 HydrophobicContact CE2-CE2 4.49Å
211C93.9Very high88.8Confident11 Ų1174 Ų747%0.07435%0.352CS..EExtended strand (participates in β ladder)trans-64.9156.5161.571.30000109.5C190 C193 L197 D213 C214 F215C190-C211 HydrophobicContact CB-CB 4.3Å; C190-C211 PolarHBondContact SG-N 3.47Å; C193-C211 VanDerWaalsContact SG-SG 3.69Å; L197-C211 HydrophobicContact CD2-CB 3.8Å; C211-D213 PolarHBondContact O-N 2.7Å; C211-C214 PolarHBondContact O-N 2.88Å; C211-C214 PolarHBondContact SG-N 2.95Å; C211-C214 VanDerWaalsContact SG-N 3.38Å; C211-F215 WeakPolarHBondContact O-CB 3.39Å; C211-F215 PolarHBondContact O-N 3.44Å
212L89.6Confident88.7Confident45 Ų4570 Ų7024%0.23634%0.341CS..Hα-helixtrans-58.8-34.9-177.3-58.9-175.4000112.5R201 T203 S216 L233R201-L212 HydrophobicContact CB-CD1 3.91Å; R201-L212 HydrophobicContact CB-CG 4.39Å; T203-L212 HydrophobicContact CG2-CD2 4.18Å; L212-S216 VanDerWaalsContact O-CB 3.26Å; L212-S216 WeakPolarHBondContact O-CB 3.12Å; L212-S216 PolarHBondContact O-N 3.22Å; L212-S216 PolarHBondContact O-OG 3.36Å; L212-L233 HydrophobicContact CB-CD1 4.38Å; L212-L233 HydrophobicContact CD2-CD1 4.04Å; L212-L233 HydrophobicContact CD2-CD2 4.42Å
213D88.8Confident88.6Confident110 Ų11066.7 Ų66.759%0.58833%0.326SS*.Hα-helixtrans-66.4-50.8178.8-55.2-37.3000111.8C211 F215 S216 N217C211-D213 PolarHBondContact O-N 2.7Å; D213-F215 VanDerWaalsContact C-N 3.32Å; D213-F215 PolarHBondContact O-N 3.29Å; D213-S216 PolarHBondContact O-N 3.23Å; D213-N217 WeakPolarHBondContact O-CB 3.42Å; D213-N217 VanDerWaalsContact O-CG 3.22Å; D213-N217 PolarHBondContact O-N 2.85Å; D213-N217 PolarHBondContact O-ND2 3.36Å
214C91.6Very high88.5Confident19 Ų1968.2 Ų68.213%0.12834%0.335CS..Hα-helixtrans-62.4-41.8177.4-73.80000111.3C193 Y210 C211 N217 L218C193-C214 VanDerWaalsContact CB-SG 3.56Å; C193-C214 VanDerWaalsContact SG-SG 3.61Å; Y210-C214 HydrophobicContact CD1-CB 4.33Å; C211-C214 PolarHBondContact O-N 2.88Å; C211-C214 PolarHBondContact SG-N 2.95Å; C211-C214 VanDerWaalsContact SG-N 3.38Å; C214-N217 PolarHBondContact O-N 2.83Å; C214-L218 WeakPolarHBondContact O-CB 3.42Å; C214-L218 VanDerWaalsContact O-CG 3.27Å; C214-L218 WeakPolarHBondContact O-CG 3.33Å; C214-L218 PolarHBondContact O-N 3.1Å; C214-L218 VanDerWaalsContact O-N 3.09Å
215F90.3Very high88.3Confident49 Ų4968.5 Ų68.522%0.21535%0.345CS..Hα-helixtrans-62.7-47178-171-93.2000111.7T203 R205 Y210 C211 D213 N217 L218 Y219T203-F215 HydrophobicContact CG2-CB 3.53Å; T203-F215 HydrophobicContact CG2-CD1 3.67Å; T203-F215 HydrophobicContact CG2-CD2 3.36Å; T203-F215 HydrophobicContact CG2-CE1 4.18Å; T203-F215 HydrophobicContact CG2-CE2 3.9Å; T203-F215 HydrophobicContact CG2-CG 3.21Å; T203-F215 HydrophobicContact CG2-CZ 4.28Å; R205-F215 HydrophobicContact CB-CE2 3.97Å; Y210-F215 HydrophobicContact CD2-CD2 4.21Å; Y210-F215 HydrophobicContact CG-CD2 4.34Å; C211-F215 WeakPolarHBondContact O-CB 3.39Å; C211-F215 PolarHBondContact O-N 3.44Å; D213-F215 VanDerWaalsContact C-N 3.32Å; D213-F215 PolarHBondContact O-N 3.29Å; F215-N217 PolarHBondContact O-N 3.49Å; F215-L218 PolarHBondContact O-N 3.08Å; F215-Y219 HydrophobicContact CD1-CD2 4.33Å; F215-Y219 AromaticContact CD2-CD2 3.49Å; F215-Y219 HydrophobicContact CD2-CD2 3.49Å; F215-Y219 VanDerWaalsContact CD2-CD2 3.49Å; F215-Y219 AromaticContact CD2-CE2 3.79Å; F215-Y219 HydrophobicContact CD2-CE2 3.79Å; F215-Y219 HydrophobicContact CE1-CD2 4.34Å; F215-Y219 AromaticContact CE2-CD2 3.52Å; F215-Y219 HydrophobicContact CE2-CD2 3.52Å; F215-Y219 AromaticContact CE2-CE2 3.89Å; F215-Y219 HydrophobicContact CE2-CE2 3.89Å; F215-Y219 AromaticContact CG-CD2 3.93Å; F215-Y219 HydrophobicContact CG-CD2 3.93Å; F215-Y219 AromaticContact CZ-CD2 3.96Å; F215-Y219 HydrophobicContact CZ-CD2 3.96Å; F215-Y219 WeakPolarHBondContact O-CB 3.45Å; F215-Y219 WeakPolarHBondContact O-CD2 3.29Å; F215-Y219 PolarHBondContact O-N 3.25Å
216S87.6Confident88.4Confident10 Ų1065.1 Ų65.17%0.0734%0.338CS..Hα-helixtrans-63.4-42.8178.7-57.10000111.2L212 D213 L218 A220 P229 S231L212-S216 VanDerWaalsContact O-CB 3.26Å; L212-S216 WeakPolarHBondContact O-CB 3.12Å; L212-S216 PolarHBondContact O-N 3.22Å; L212-S216 PolarHBondContact O-OG 3.36Å; D213-S216 PolarHBondContact O-N 3.23Å; S216-L218 VanDerWaalsContact C-N 3.3Å; S216-L218 PolarHBondContact O-N 3.29Å; S216-A220 VanDerWaalsContact O-CB 3.23Å; S216-A220 WeakPolarHBondContact O-CB 3.47Å; S216-A220 PolarHBondContact O-N 3.42Å; S216-P229 WeakPolarHBondContact O-CB 3.35Å; S216-S231 PolarHBondContact OG-OG 2.85Å
217N85.9Confident88.5Confident94 Ų9463.4 Ų63.450%0.50334%0.337SS..Hα-helixtrans-62.6-35.1178.3-76.1-25000113.4D213 C214 F215 P229D213-N217 WeakPolarHBondContact O-CB 3.42Å; D213-N217 VanDerWaalsContact O-CG 3.22Å; D213-N217 PolarHBondContact O-N 2.85Å; D213-N217 PolarHBondContact O-ND2 3.36Å; C214-N217 PolarHBondContact O-N 2.83Å; F215-N217 PolarHBondContact O-N 3.49Å; N217-P229 WeakPolarHBondContact OD1-CG 3.42Å
218L85.2Confident88.6Confident102 Ų10265 Ų6553%0.53434%0.338SS..Hα-helixtrans-84.1-34.3-178.7-69.7170.5000113.1Y210 C214 F215 S216Y210-L218 HydrophobicContact CD1-CD1 4.2Å; Y210-L218 HydrophobicContact CE1-CD1 3.81Å; C214-L218 WeakPolarHBondContact O-CB 3.42Å; C214-L218 VanDerWaalsContact O-CG 3.27Å; C214-L218 WeakPolarHBondContact O-CG 3.33Å; C214-L218 PolarHBondContact O-N 3.1Å; C214-L218 VanDerWaalsContact O-N 3.09Å; F215-L218 PolarHBondContact O-N 3.08Å; S216-L218 VanDerWaalsContact C-N 3.3Å; S216-L218 PolarHBondContact O-N 3.29Å
219Y83.6Confident88.5Confident85 Ų8560.2 Ų60.233%0.33332%0.323SS..Hα-helixtrans-128.4-16-164.2-53.1-58.3000115.8Y210 F215Y210-Y219 HydrophobicContact CE2-CE2 4.49Å; F215-Y219 HydrophobicContact CD1-CD2 4.33Å; F215-Y219 AromaticContact CD2-CD2 3.49Å; F215-Y219 HydrophobicContact CD2-CD2 3.49Å; F215-Y219 VanDerWaalsContact CD2-CD2 3.49Å; F215-Y219 AromaticContact CD2-CE2 3.79Å; F215-Y219 HydrophobicContact CD2-CE2 3.79Å; F215-Y219 HydrophobicContact CE1-CD2 4.34Å; F215-Y219 AromaticContact CE2-CD2 3.52Å; F215-Y219 HydrophobicContact CE2-CD2 3.52Å; F215-Y219 AromaticContact CE2-CE2 3.89Å; F215-Y219 HydrophobicContact CE2-CE2 3.89Å; F215-Y219 AromaticContact CG-CD2 3.93Å; F215-Y219 HydrophobicContact CG-CD2 3.93Å; F215-Y219 AromaticContact CZ-CD2 3.96Å; F215-Y219 HydrophobicContact CZ-CD2 3.96Å; F215-Y219 WeakPolarHBondContact O-CB 3.45Å; F215-Y219 WeakPolarHBondContact O-CD2 3.29Å; F215-Y219 PolarHBondContact O-N 3.25Å
220A85.1Confident88.2Confident26 Ų2660.2 Ų60.222%0.21532%0.322CS..SBendtrans-77.7147176.600000110.7S216 P229S216-A220 VanDerWaalsContact O-CB 3.23Å; S216-A220 WeakPolarHBondContact O-CB 3.47Å; S216-A220 PolarHBondContact O-N 3.42Å; A220-P229 HydrophobicContact CB-CB 3.96Å
221K85.4Confident87.2Confident114 Ų11461.2 Ų61.250%0.49633%0.332SS..PPolyproline II helixtrans-57.8142.3171.3-73.5-171.3170.8-162.90109.4I230 Q245K221-I230 PolarHBondContact O-N 2.92Å; K221-Q245 HydrophobicContact CD-CG 4.3Å
222K88.7Confident85.7Confident132 Ų13265.1 Ų65.157%0.57436%0.36SS*.BIsolated β-bridgetrans-96139.4-177.9-67.4-179.1179-178.30110.4V224 T227K222-V224 PolarHBondContact O-N 3.43Å; K222-T227 WeakPolarHBondContact CD-O 3.36Å
223C89.8Confident84.3Confident1 Ų167.5 Ų67.51%0.00737%0.373CS..PPolyproline II helixtrans-63.8129172.7174.10000109.7G225 C226 T227 K228 I230 Q245 H247 C250C223-G225 VanDerWaalsContact C-N 3.29Å; C223-G225 PolarHBondContact O-N 3.31Å; C223-G225 PolarHBondContact SG-N 3.26Å; C223-G225 VanDerWaalsContact SG-N 3.45Å; C223-C226 VanDerWaalsContact SG-SG 3.66Å; C223-T227 WeakPolarHBondContact O-CA 3.49Å; C223-T227 PolarHBondContact O-N 3.38Å; C223-K228 WeakPolarHBondContact CB-O 3.37Å; C223-K228 PolarHBondContact N-O 3.06Å; C223-I230 HydrophobicContact CB-CD1 4.25Å; C223-I230 HydrophobicContact CB-CG1 4.04Å; C223-Q245 CarbonylContact C-O 3.5Å; C223-Q245 VanDerWaalsContact CA-O 3.31Å; C223-Q245 WeakPolarHBondContact CA-O 3.39Å; C223-H247 VanDerWaalsContact CB-CE1 3.43Å; C223-H247 WeakPolarHBondContact CB-CE1 3.3Å; C223-H247 VanDerWaalsContact CB-ND1 3.3Å; C223-H247 WeakPolarHBondContact CB-ND1 3.35Å; C223-H247 PolarHBondContact SG-N 3.45Å; C223-H247 VanDerWaalsContact SG-N 3.42Å; C223-H247 PolarHBondContact SG-ND1 3.03Å; C223-H247 VanDerWaalsContact SG-ND1 3.44Å; C223-C250 VanDerWaalsContact SG-CB 3.51Å
224V89.5Confident82.8Confident73 Ų7366.3 Ų66.344%0.44238%0.378SS..THydrogen-bonded Turntrans-64.2-37.4178.1173.70000111.1K222 R244 Q245 W246K222-V224 PolarHBondContact O-N 3.43Å; V224-R244 HydrophobicContact CG2-CB 3.85Å; V224-R244 HydrophobicContact CG2-CG 4Å; V224-Q245 PolarHBondContact N-O 3.09Å; V224-W246 HydrophobicContact CB-CD2 4.47Å; V224-W246 HydrophobicContact CB-CZ2 4.14Å; V224-W246 HydrophobicContact CG1-CZ2 4.25Å; V224-W246 HydrophobicContact CG2-CZ2 4.42Å
225G87.8Confident81.2Confident53 Ų5368.6 Ų68.655%0.54641%0.405SS..THydrogen-bonded Turntrans-71.1-38.6-177.600000114.8C223C223-G225 VanDerWaalsContact C-N 3.29Å; C223-G225 PolarHBondContact O-N 3.31Å; C223-G225 PolarHBondContact SG-N 3.26Å; C223-G225 VanDerWaalsContact SG-N 3.45Å
226C89.3Confident80.1Confident37 Ų3768.8 Ų68.825%0.2542%0.415CS..THydrogen-bonded Turntrans-122.8-1.9-173.875.70000114.8C223 K228 H247C223-C226 VanDerWaalsContact SG-SG 3.66Å; C226-K228 PolarHBondContact O-N 3.41Å; C226-H247 VanDerWaalsContact SG-CE1 3.51Å; C226-H247 PolarHBondContact SG-ND1 3.44Å
227T87.9Confident79.5Confident102 Ų10277.1 Ų77.163%0.62645%0.45SS*.  trans61.4-2.8-176.472.60000116.3K222 C223K222-T227 WeakPolarHBondContact CD-O 3.36Å; C223-T227 WeakPolarHBondContact O-CA 3.49Å; C223-T227 PolarHBondContact O-N 3.38Å
228K86.8Confident79.7Confident142 Ų14277.8 Ų77.862%0.61745%0.447SS*.  trans-74.9151.6177.1-61177.8-178.1176.20110.7C223 C226C223-K228 WeakPolarHBondContact CB-O 3.37Å; C223-K228 PolarHBondContact N-O 3.06Å; C226-K228 PolarHBondContact O-N 3.41Å
229P86.5Confident79.9Confident26 Ų2675 Ų7517%0.16943%0.432CS..BIsolated β-bridgetrans-64143.9178.9-14.726.3000112.8S216 N217 A220 S231 H247S216-P229 WeakPolarHBondContact O-CB 3.35Å; N217-P229 WeakPolarHBondContact OD1-CG 3.42Å; A220-P229 HydrophobicContact CB-CB 3.96Å; P229-S231 PolarHBondContact O-N 2.89Å; P229-H247 PolarHBondContact O-NE2 3.45Å
230I85.8Confident80.2Confident11 Ų1174 Ų746%0.05644%0.437CS..  trans-8892.6170.7-60.9176.1000106.9K221 C223 S232 Y238 Q245K221-I230 PolarHBondContact O-N 2.92Å; C223-I230 HydrophobicContact CB-CD1 4.25Å; C223-I230 HydrophobicContact CB-CG1 4.04Å; I230-S232 PolarHBondContact O-N 3.11Å; I230-S232 VanDerWaalsContact O-N 3.12Å; I230-Y238 HydrophobicContact CG2-CD1 3.94Å; I230-Y238 HydrophobicContact CG2-CD2 4.34Å; I230-Y238 HydrophobicContact CG2-CG 3.73Å; I230-Q245 HydrophobicContact CD1-CB 3.29Å; I230-Q245 HydrophobicContact CD1-CG 4.48Å
231S72.9Confident80.4Confident43 Ų4376 Ų7630%0.30144%0.441SS..  trans-73.6104.1-177.9-164.60000110.3S216 P229 L233S216-S231 PolarHBondContact OG-OG 2.85Å; P229-S231 PolarHBondContact O-N 2.89Å; S231-L233 PolarHBondContact O-N 3.22Å
232S62.4Low80.4Confident93 Ų9377 Ų7765%0.6545%0.447SS*.G310 helixtrans-68.7-13.517654.70000113.4I230 A234I230-S232 PolarHBondContact O-N 3.11Å; I230-S232 VanDerWaalsContact O-N 3.12Å; S232-A234 VanDerWaalsContact C-N 3.3Å; S232-A234 PolarHBondContact O-N 3.34Å
233L59.2Low80.3Confident96 Ų9678.5 Ų78.550%0.50346%0.457SS..G310 helixtrans-73.5-15.5-172.7-73.5151.7000114.2L212 S231L212-L233 HydrophobicContact CB-CD1 4.38Å; L212-L233 HydrophobicContact CD2-CD1 4.04Å; L212-L233 HydrophobicContact CD2-CD2 4.42Å; S231-L233 PolarHBondContact O-N 3.22Å
234A57.3Low80.3Confident84 Ų8481 Ų8169%0.69447%0.466SS*.G310 helixtrans-107.79.5-176.800000114.1S232 A236S232-A234 VanDerWaalsContact C-N 3.3Å; S232-A234 PolarHBondContact O-N 3.34Å; A234-A236 PolarHBondContact O-N 2.93Å
235G58.8Low80.4Confident68 Ų6878.7 Ų78.770%0.70145%0.45SS*.THydrogen-bonded Turntrans6516.5-174.800000113.8K237G235-K237 PolarHBondContact O-N 3.11Å
236A66.3Low80.5Confident53 Ų5376.5 Ų76.544%0.43843%0.426SS..  trans-64.8124.5179.400000110A234A234-A236 PolarHBondContact O-N 2.93Å
237K76.3Confident80.6Confident185 Ų18576.8 Ų76.880%0.80442%0.423SS*.  trans-70.4129.6176.3-64.1-177.9-178.5179.50109.3G235 S248G235-K237 PolarHBondContact O-N 3.11Å; K237-S248 PolarHBondContact O-OG 2.87Å
238Y88.6Confident80.7Confident107 Ų10773.6 Ų73.642%0.4241%0.405SS..EExtended strand (participates in β ladder)trans-125.5154176.463.6-84.8000109.7I230 S240 W246I230-Y238 HydrophobicContact CG2-CD1 3.94Å; I230-Y238 HydrophobicContact CG2-CD2 4.34Å; I230-Y238 HydrophobicContact CG2-CG 3.73Å; Y238-S240 WeakPolarHBondContact CD2-OG 3.48Å; Y238-S240 WeakPolarHBondContact CE2-OG 3.27Å; Y238-W246 WeakPolarHBondContact CA-O 3.31Å; Y238-W246 WeakPolarHBondContact CB-O 3.23Å
239I89.3Confident80.8Confident43 Ų4375.1 Ų75.122%0.22141%0.414CS..EExtended strand (participates in β ladder)trans-97.5130.3176-53.3-58.4000107.5Q245 W246 F251 V261I239-Q245 WeakPolarHBondContact O-CA 3.32Å; I239-W246 PolarHBondContact N-O 2.89Å; I239-W246 PolarHBondContact O-N 2.81Å; I239-F251 HydrophobicContact CB-CB 4.32Å; I239-F251 HydrophobicContact CB-CD1 4.45Å; I239-F251 HydrophobicContact CB-CD2 4.24Å; I239-F251 HydrophobicContact CB-CG 4.08Å; I239-F251 HydrophobicContact CG1-CB 4Å; I239-F251 HydrophobicContact CG1-CD1 4.19Å; I239-F251 HydrophobicContact CG1-CG 4.05Å; I239-F251 HydrophobicContact CG2-CD1 4.02Å; I239-F251 HydrophobicContact CG2-CD2 3.94Å; I239-F251 HydrophobicContact CG2-CE1 4.08Å; I239-F251 HydrophobicContact CG2-CE2 3.99Å; I239-F251 HydrophobicContact CG2-CG 3.97Å; I239-F251 HydrophobicContact CG2-CZ 4.07Å; I239-V261 HydrophobicContact CD1-CG1 4.36Å; I239-V261 HydrophobicContact CD1-CG2 4.36Å; I239-V261 HydrophobicContact CG1-CG2 4.24Å
240S89.8Confident81.1Confident64 Ų6475.4 Ų75.445%0.44842%0.416SS..EExtended strand (participates in β ladder)trans-117130.4171.6-60.80000109Y238 Q245Y238-S240 WeakPolarHBondContact CD2-OG 3.48Å; Y238-S240 WeakPolarHBondContact CE2-OG 3.27Å; S240-Q245 PolarHBondContact OG-NE2 3.5Å
241F89.3Confident81.5Confident70 Ų7075 Ų7531%0.30741%0.414SS..EExtended strand (participates in β ladder)trans-142.8126.1171.4-179.8-97000107.8R244 W246 F265 T267F241-R244 PolarHBondContact N-O 2.94Å; F241-R244 VanDerWaalsContact N-O 3.11Å; F241-R244 PolarHBondContact O-N 2.95Å; F241-R244 VanDerWaalsContact O-N 3.09Å; F241-R244 VanDerWaalsContact O-O 3.1Å; F241-W246 HydrophobicContact CB-CZ3 4.03Å; F241-F265 HydrophobicContact CB-CZ 4.35Å; F241-F265 HydrophobicContact CD1-CE2 4.08Å; F241-F265 HydrophobicContact CD1-CZ 4.24Å; F241-F265 HydrophobicContact CD2-CE2 4.18Å; F241-F265 AromaticContact CD2-CZ 3.58Å; F241-F265 HydrophobicContact CD2-CZ 3.58Å; F241-F265 HydrophobicContact CE1-CE2 4.17Å; F241-F265 HydrophobicContact CE2-CE2 4.24Å; F241-F265 AromaticContact CE2-CZ 3.86Å; F241-F265 HydrophobicContact CE2-CZ 3.86Å; F241-F265 HydrophobicContact CG-CE2 4.08Å; F241-F265 AromaticContact CG-CZ 3.77Å; F241-F265 HydrophobicContact CG-CZ 3.77Å; F241-F265 HydrophobicContact CZ-CE2 4.23Å; F241-F265 HydrophobicContact CZ-CZ 4.32Å; F241-T267 HydrophobicContact CD1-CG2 4.28Å; F241-T267 HydrophobicContact CE1-CG2 3.63Å; F241-T267 HydrophobicContact CZ-CG2 4.28Å
242E87.1Confident82.5Confident133 Ų13375.1 Ų75.162%0.62141%0.413SS*.THydrogen-bonded Turntrans51.4-135.3-166.6-60.6173.8175.800111.1R244E242-R244 VanDerWaalsContact C-N 3.28Å
243E85.1Confident84Confident164 Ų16470.7 Ų70.777%0.76638%0.382SS*.THydrogen-bonded Turntrans-86.43176.5-66.8-56.3136.800113.4
244R89.6Confident85.5Confident54 Ų5472 Ų7220%0.20439%0.387CS..EExtended strand (participates in β ladder)trans-100.5148.4-176.7-64.9-175.5-170.815316.3111.2V224 F241 E242 W246 R269 D270V224-R244 HydrophobicContact CG2-CB 3.85Å; V224-R244 HydrophobicContact CG2-CG 4Å; F241-R244 PolarHBondContact N-O 2.94Å; F241-R244 VanDerWaalsContact N-O 3.11Å; F241-R244 PolarHBondContact O-N 2.95Å; F241-R244 VanDerWaalsContact O-N 3.09Å; F241-R244 VanDerWaalsContact O-O 3.1Å; E242-R244 VanDerWaalsContact C-N 3.28Å; R244-W246 HydrophobicContact CB-CE3 4.32Å; R244-W246 HydrophobicContact CB-CH2 3.17Å; R244-W246 HydrophobicContact CB-CZ2 3.86Å; R244-W246 HydrophobicContact CB-CZ3 3.43Å; R244-W246 VanDerWaalsContact CB-CZ3 3.43Å; R244-W246 HydrophobicContact CG-CH2 4.12Å; R244-W246 WeakPolarHBondContact O-CZ3 3.46Å; R244-R269 PolarHBondContact NH2-O 3.37Å; R244-D270 IonicContact CZ-OD1 3.98Å; R244-D270 VanDerWaalsContact NH1-C 3.34Å; R244-D270 VanDerWaalsContact NH1-CA 3.33Å; R244-D270 PolarHBondContact NH1-O 3.24Å; R244-D270 IonicContact NH1-OD1 3.14Å; R244-D270 IonicContact NH2-OD1 2.6Å; R244-D270 PolarHBondContact NH2-OD1 3.33Å
245Q91.6Very high87.1Confident24 Ų2472.9 Ų72.911%0.11238%0.377CS..EExtended strand (participates in β ladder)trans-135.9146.4-179.8-59.7-170.5-31.700111.1K221 C223 V224 I230 I239 S240K221-Q245 HydrophobicContact CD-CG 4.3Å; C223-Q245 CarbonylContact C-O 3.5Å; C223-Q245 VanDerWaalsContact CA-O 3.31Å; C223-Q245 WeakPolarHBondContact CA-O 3.39Å; V224-Q245 PolarHBondContact N-O 3.09Å; I230-Q245 HydrophobicContact CD1-CB 3.29Å; I230-Q245 HydrophobicContact CD1-CG 4.48Å; I239-Q245 WeakPolarHBondContact O-CA 3.32Å; S240-Q245 PolarHBondContact OG-NE2 3.5Å
246W91.8Very high88.7Confident8 Ų872.7 Ų72.73%0.0336%0.364CS..EExtended strand (participates in β ladder)trans-134.2146.1178.2-62.3-105.4000110.2V224 Y238 I239 F241 R244 C250 F251 I272V224-W246 HydrophobicContact CB-CD2 4.47Å; V224-W246 HydrophobicContact CB-CZ2 4.14Å; V224-W246 HydrophobicContact CG1-CZ2 4.25Å; V224-W246 HydrophobicContact CG2-CZ2 4.42Å; Y238-W246 WeakPolarHBondContact CA-O 3.31Å; Y238-W246 WeakPolarHBondContact CB-O 3.23Å; I239-W246 PolarHBondContact N-O 2.89Å; I239-W246 PolarHBondContact O-N 2.81Å; F241-W246 HydrophobicContact CB-CZ3 4.03Å; R244-W246 HydrophobicContact CB-CE3 4.32Å; R244-W246 HydrophobicContact CB-CH2 3.17Å; R244-W246 HydrophobicContact CB-CZ2 3.86Å; R244-W246 HydrophobicContact CB-CZ3 3.43Å; R244-W246 VanDerWaalsContact CB-CZ3 3.43Å; R244-W246 HydrophobicContact CG-CH2 4.12Å; R244-W246 WeakPolarHBondContact O-CZ3 3.46Å; W246-C250 HydrophobicContact CB-CB 4.46Å; W246-F251 HydrophobicContact CB-CB 4.1Å; W246-F251 HydrophobicContact CB-CD2 4.17Å; W246-F251 AromaticContact CD2-CD2 3.82Å; W246-F251 HydrophobicContact CD2-CD2 3.82Å; W246-F251 HydrophobicContact CD2-CE2 4.29Å; W246-F251 AromaticContact CE3-CD2 3.95Å; W246-F251 HydrophobicContact CE3-CD2 3.95Å; W246-F251 HydrophobicContact CE3-CE2 4.11Å; W246-F251 AromaticContact CG-CD2 3.93Å; W246-F251 HydrophobicContact CG-CD2 3.93Å; W246-F251 HydrophobicContact CZ3-CE2 4.3Å; W246-I272 HydrophobicContact CZ2-CD1 4.17Å; W246-I272 HydrophobicContact CZ2-CG2 4.36Å
247H90.4Very high90Very high43 Ų4374.4 Ų74.420%0.19937%0.373CS..EExtended strand (participates in β ladder)trans-58.6146.6156.7-56.4110.7000108.5C223 C226 P229 E249 C250 F251C223-H247 VanDerWaalsContact CB-CE1 3.43Å; C223-H247 WeakPolarHBondContact CB-CE1 3.3Å; C223-H247 VanDerWaalsContact CB-ND1 3.3Å; C223-H247 WeakPolarHBondContact CB-ND1 3.35Å; C223-H247 PolarHBondContact SG-N 3.45Å; C223-H247 VanDerWaalsContact SG-N 3.42Å; C223-H247 PolarHBondContact SG-ND1 3.03Å; C223-H247 VanDerWaalsContact SG-ND1 3.44Å; C226-H247 VanDerWaalsContact SG-CE1 3.51Å; C226-H247 PolarHBondContact SG-ND1 3.44Å; P229-H247 PolarHBondContact O-NE2 3.45Å; H247-E249 PolarHBondContact O-N 3.47Å; H247-E249 VanDerWaalsContact O-N 3.11Å; H247-C250 HydrophobicContact CB-CB 4.19Å; H247-C250 WeakPolarHBondContact O-CA 3.43Å; H247-C250 PolarHBondContact O-N 3.15Å; H247-F251 PolarHBondContact O-N 2.9Å
248S89.9Confident90.8Very high35 Ų3567.8 Ų67.825%0.24535%0.348CS..G310 helixtrans-54-35.5-179.9-62.60000112.5K237 V261K237-S248 PolarHBondContact O-OG 2.87Å; S248-V261 VanDerWaalsContact O-CG2 3.29Å; S248-V261 WeakPolarHBondContact O-CG2 3.42Å
249E89.9Confident91.1Very high174 Ų17465.2 Ų65.281%0.81335%0.346SS*.G310 helixtrans-73-24.2176.4-65.7151.2-15700113.7H247H247-E249 PolarHBondContact O-N 3.47Å; H247-E249 VanDerWaalsContact O-N 3.11Å
250C91.6Very high91.3Very high31 Ų3163.2 Ų63.221%0.20934%0.335CS..G310 helixtrans-92.7-2.3179.7-60.90000113C223 W246 H247 T252C223-C250 VanDerWaalsContact SG-CB 3.51Å; W246-C250 HydrophobicContact CB-CB 4.46Å; H247-C250 HydrophobicContact CB-CB 4.19Å; H247-C250 WeakPolarHBondContact O-CA 3.43Å; H247-C250 PolarHBondContact O-N 3.15Å; C250-T252 VanDerWaalsContact C-N 3.33Å; C250-T252 PolarHBondContact O-N 3.29Å; C250-T252 VanDerWaalsContact O-N 3.15Å
251F93.7Very high91.4Very high4 Ų463 Ų632%0.01833%0.332CS..  trans-86.676.7177.5-166.2-112.4000109.9I239 W246 H247 L260 V261 F265 I272I239-F251 HydrophobicContact CB-CB 4.32Å; I239-F251 HydrophobicContact CB-CD1 4.45Å; I239-F251 HydrophobicContact CB-CD2 4.24Å; I239-F251 HydrophobicContact CB-CG 4.08Å; I239-F251 HydrophobicContact CG1-CB 4Å; I239-F251 HydrophobicContact CG1-CD1 4.19Å; I239-F251 HydrophobicContact CG1-CG 4.05Å; I239-F251 HydrophobicContact CG2-CD1 4.02Å; I239-F251 HydrophobicContact CG2-CD2 3.94Å; I239-F251 HydrophobicContact CG2-CE1 4.08Å; I239-F251 HydrophobicContact CG2-CE2 3.99Å; I239-F251 HydrophobicContact CG2-CG 3.97Å; I239-F251 HydrophobicContact CG2-CZ 4.07Å; W246-F251 HydrophobicContact CB-CB 4.1Å; W246-F251 HydrophobicContact CB-CD2 4.17Å; W246-F251 AromaticContact CD2-CD2 3.82Å; W246-F251 HydrophobicContact CD2-CD2 3.82Å; W246-F251 HydrophobicContact CD2-CE2 4.29Å; W246-F251 AromaticContact CE3-CD2 3.95Å; W246-F251 HydrophobicContact CE3-CD2 3.95Å; W246-F251 HydrophobicContact CE3-CE2 4.11Å; W246-F251 AromaticContact CG-CD2 3.93Å; W246-F251 HydrophobicContact CG-CD2 3.93Å; W246-F251 HydrophobicContact CZ3-CE2 4.3Å; H247-F251 PolarHBondContact O-N 2.9Å; F251-L260 HydrophobicContact CD1-CB 3.57Å; F251-L260 HydrophobicContact CE1-CB 3.45Å; F251-L260 VanDerWaalsContact CE1-CB 3.45Å; F251-L260 HydrophobicContact CG-CB 4.44Å; F251-L260 HydrophobicContact CZ-CB 4.25Å; F251-L260 PolarHBondContact O-N 2.86Å; F251-V261 HydrophobicContact CB-CG2 4.19Å; F251-V261 HydrophobicContact CD1-CG2 4.16Å; F251-F265 HydrophobicContact CE1-CD1 4.11Å; F251-F265 HydrophobicContact CE1-CE1 4.23Å; F251-F265 AromaticContact CZ-CD1 3.85Å; F251-F265 HydrophobicContact CZ-CD1 3.85Å; F251-F265 HydrophobicContact CZ-CD2 4.33Å; F251-F265 AromaticContact CZ-CE1 3.75Å; F251-F265 HydrophobicContact CZ-CE1 3.75Å; F251-F265 HydrophobicContact CZ-CE2 4.23Å; F251-F265 HydrophobicContact CZ-CG 4.15Å; F251-F265 AromaticContact CZ-CZ 3.94Å; F251-F265 HydrophobicContact CZ-CZ 3.94Å; F251-I272 HydrophobicContact CD2-CD1 3.57Å; F251-I272 HydrophobicContact CE2-CD1 3.53Å; F251-I272 HydrophobicContact CG-CD1 4.44Å; F251-I272 HydrophobicContact CZ-CD1 4.37Å
252T94.2Very high91.3Very high44 Ų4463.9 Ų63.927%0.2736%0.36SS..BIsolated β-bridgetrans-126.4157.3-173.955.60000111.9C250 M254 S257 V258C250-T252 VanDerWaalsContact C-N 3.33Å; C250-T252 PolarHBondContact O-N 3.29Å; C250-T252 VanDerWaalsContact O-N 3.15Å; T252-M254 PolarHBondContact O-N 2.96Å; T252-S257 WeakPolarHBondContact CG2-O 3.18Å; T252-V258 CarbonylContact C-O 3.5Å; T252-V258 WeakPolarHBondContact CA-O 3.43Å; T252-V258 WeakPolarHBondContact CB-O 3.48Å
253C93.9Very high91.5Very high1 Ų165 Ų651%0.00736%0.359CS..  trans-64.1130.4173.6178.60000110.3Q255 C256 S257 V258 L260 C274C253-Q255 PolarHBondContact O-N 3.48Å; C253-C256 VanDerWaalsContact CB-SG 3.56Å; C253-S257 WeakPolarHBondContact O-CA 3.19Å; C253-S257 PolarHBondContact O-N 3.42Å; C253-V258 HydrophobicContact CB-CG1 3.88Å; C253-V258 PolarHBondContact N-O 3.02Å; C253-L260 HydrophobicContact CB-CD1 4.46Å; C253-L260 HydrophobicContact CB-CD2 4.19Å; C253-L260 HydrophobicContact CB-CG 4.44Å; C253-C274 HydrophobicContact CB-CB 4.16Å; C253-C274 PolarHBondContact SG-N 3.29Å
254M90.8Very high91.7Very high122 Ų12259.7 Ų59.760%0.60135%0.348SS*.THydrogen-bonded Turntrans-60.1-29.8179.6-175.959131.600113.6T252 D271 I272 L273T252-M254 PolarHBondContact O-N 2.96Å; M254-D271 HydrophobicContact CB-CB 4.3Å; M254-D271 VanDerWaalsContact CE-OD1 3.25Å; M254-D271 WeakPolarHBondContact CE-OD1 3.27Å; M254-D271 HydrophobicContact CG-CB 4.36Å; M254-I272 PolarHBondContact N-O 3.2Å; M254-L273 HydrophobicContact CB-CD2 4.02Å
255Q90.7Very high91.9Very high103 Ų10359.8 Ų59.848%0.48135%0.35SS..THydrogen-bonded Turntrans-90.4-41.7-176-75.3-176.6-34.900114C253 L273 C277C253-Q255 PolarHBondContact O-N 3.48Å; Q255-L273 HydrophobicContact CB-CD2 4.29Å; Q255-L273 HydrophobicContact CG-CD2 3.8Å; Q255-C277 HydrophobicContact CB-CB 4.36Å; Q255-C277 PolarHBondContact OE1-O 2.95Å
256C93.4Very high91.8Very high65 Ų6562.5 Ų62.544%0.43936%0.364SS..THydrogen-bonded Turntrans-116.90.1-172.968.90000114.1C253 V258 C277C253-C256 VanDerWaalsContact CB-SG 3.56Å; C256-V258 PolarHBondContact O-N 2.87Å; C256-V258 WeakPolarHBondContact SG-CG1 3.45Å; C256-C277 VanDerWaalsContact SG-SG 3.67Å
257S92.7Very high91.7Very high88 Ų8865.4 Ų65.462%0.61538%0.383SS*.  trans59.810.8179.7-58.80000115.7T252 C253T252-S257 WeakPolarHBondContact CG2-O 3.18Å; C253-S257 WeakPolarHBondContact O-CA 3.19Å; C253-S257 PolarHBondContact O-N 3.42Å
258V93.9Very high91.5Very high46 Ų4667.6 Ų67.628%0.27939%0.394SS..  trans-66.3140.7176.476.90000110.6T252 C253 C256 L260 R263 C274T252-V258 CarbonylContact C-O 3.5Å; T252-V258 WeakPolarHBondContact CA-O 3.43Å; T252-V258 WeakPolarHBondContact CB-O 3.48Å; C253-V258 HydrophobicContact CB-CG1 3.88Å; C253-V258 PolarHBondContact N-O 3.02Å; C256-V258 PolarHBondContact O-N 2.87Å; C256-V258 WeakPolarHBondContact SG-CG1 3.45Å; V258-L260 HydrophobicContact CG1-CD2 4.35Å; V258-L260 PolarHBondContact O-N 3.09Å; V258-R263 VanDerWaalsContact CG2-NH1 3.31Å; V258-C274 HydrophobicContact CG1-CB 3.96Å
259S93.7Very high91.1Very high53 Ų5377 Ų7737%0.37142%0.424SS..BIsolated β-bridgetrans-62.1131.6174.1-174.30000111V261 R263S259-V261 PolarHBondContact OG-N 2.88Å; S259-R263 WeakPolarHBondContact O-CD 3.21Å
260L93.5Very high90.7Very high1 Ų174.2 Ų74.21%0.00541%0.414CS..  trans-980.6177.3-61.4177.4000112.2F251 C253 V258 G262 R263 F265 I272 C274F251-L260 HydrophobicContact CD1-CB 3.57Å; F251-L260 HydrophobicContact CE1-CB 3.45Å; F251-L260 VanDerWaalsContact CE1-CB 3.45Å; F251-L260 HydrophobicContact CG-CB 4.44Å; F251-L260 HydrophobicContact CZ-CB 4.25Å; F251-L260 PolarHBondContact O-N 2.86Å; C253-L260 HydrophobicContact CB-CD1 4.46Å; C253-L260 HydrophobicContact CB-CD2 4.19Å; C253-L260 HydrophobicContact CB-CG 4.44Å; V258-L260 HydrophobicContact CG1-CD2 4.35Å; V258-L260 PolarHBondContact O-N 3.09Å; L260-G262 PolarHBondContact O-N 2.9Å; L260-R263 PolarHBondContact O-N 3.44Å; L260-R263 VanDerWaalsContact O-N 3.08Å; L260-F265 HydrophobicContact CB-CB 4.49Å; L260-F265 HydrophobicContact CD1-CB 3.96Å; L260-F265 HydrophobicContact CD2-CB 4.29Å; L260-F265 HydrophobicContact CG-CB 4.48Å; L260-I272 HydrophobicContact CD1-CB 4.12Å; L260-I272 HydrophobicContact CD1-CD1 4.08Å; L260-I272 HydrophobicContact CD1-CG1 4.16Å; L260-C274 HydrophobicContact CD2-CB 3.58Å
261V91.8Very high90.5Very high61 Ų6175.8 Ų75.837%0.3742%0.421SS..THydrogen-bonded Turntrans-63.1122.9-179.3179.60000109.9I239 S248 F251 S259 R263I239-V261 HydrophobicContact CD1-CG1 4.36Å; I239-V261 HydrophobicContact CD1-CG2 4.36Å; I239-V261 HydrophobicContact CG1-CG2 4.24Å; S248-V261 VanDerWaalsContact O-CG2 3.29Å; S248-V261 WeakPolarHBondContact O-CG2 3.42Å; F251-V261 HydrophobicContact CB-CG2 4.19Å; F251-V261 HydrophobicContact CD1-CG2 4.16Å; S259-V261 PolarHBondContact OG-N 2.88Å; V261-R263 PolarHBondContact O-N 2.8Å
262G88.8Confident90.4Very high88 Ų8876.1 Ų76.191%0.90742%0.423SS*.THydrogen-bonded Turntrans70.110.5-178.400000114.6L260L260-G262 PolarHBondContact O-N 2.9Å
263R90.1Very high90.3Very high157 Ų15774.3 Ų74.359%0.59241%0.411SS*.SBendtrans-113156.6177-60.9-173.8-178.5-174.2-1.6110.5V258 S259 L260 V261V258-R263 VanDerWaalsContact CG2-NH1 3.31Å; S259-R263 WeakPolarHBondContact O-CD 3.21Å; L260-R263 PolarHBondContact O-N 3.44Å; L260-R263 VanDerWaalsContact O-N 3.08Å; V261-R263 PolarHBondContact O-N 2.8Å
264G89.5Confident90.3Very high52 Ų5274.8 Ų74.854%0.53641%0.414SS..  trans-65140.7166.700000110.5
265F93.3Very high90.3Very high56 Ų5671.2 Ų71.225%0.24640%0.4CS..EExtended strand (participates in β ladder)trans-139.2161.217765.4-86.4000110.3F241 F251 L260 T267 I272 L273F241-F265 HydrophobicContact CB-CZ 4.35Å; F241-F265 HydrophobicContact CD1-CE2 4.08Å; F241-F265 HydrophobicContact CD1-CZ 4.24Å; F241-F265 HydrophobicContact CD2-CE2 4.18Å; F241-F265 AromaticContact CD2-CZ 3.58Å; F241-F265 HydrophobicContact CD2-CZ 3.58Å; F241-F265 HydrophobicContact CE1-CE2 4.17Å; F241-F265 HydrophobicContact CE2-CE2 4.24Å; F241-F265 AromaticContact CE2-CZ 3.86Å; F241-F265 HydrophobicContact CE2-CZ 3.86Å; F241-F265 HydrophobicContact CG-CE2 4.08Å; F241-F265 AromaticContact CG-CZ 3.77Å; F241-F265 HydrophobicContact CG-CZ 3.77Å; F241-F265 HydrophobicContact CZ-CE2 4.23Å; F241-F265 HydrophobicContact CZ-CZ 4.32Å; F251-F265 HydrophobicContact CE1-CD1 4.11Å; F251-F265 HydrophobicContact CE1-CE1 4.23Å; F251-F265 AromaticContact CZ-CD1 3.85Å; F251-F265 HydrophobicContact CZ-CD1 3.85Å; F251-F265 HydrophobicContact CZ-CD2 4.33Å; F251-F265 AromaticContact CZ-CE1 3.75Å; F251-F265 HydrophobicContact CZ-CE1 3.75Å; F251-F265 HydrophobicContact CZ-CE2 4.23Å; F251-F265 HydrophobicContact CZ-CG 4.15Å; F251-F265 AromaticContact CZ-CZ 3.94Å; F251-F265 HydrophobicContact CZ-CZ 3.94Å; L260-F265 HydrophobicContact CB-CB 4.49Å; L260-F265 HydrophobicContact CD1-CB 3.96Å; L260-F265 HydrophobicContact CD2-CB 4.29Å; L260-F265 HydrophobicContact CG-CB 4.48Å; F265-T267 HydrophobicContact CD2-CG2 4.23Å; F265-T267 HydrophobicContact CE2-CG2 3.95Å; F265-I272 HydrophobicContact CD2-CG2 4.34Å; F265-L273 CarbonylContact C-O 3.58Å; F265-L273 WeakPolarHBondContact CA-O 3.1Å; F265-L273 WeakPolarHBondContact CB-O 3.48Å
266L91Very high90.4Very high80 Ų8071.3 Ų71.342%0.41940%0.403SS..EExtended strand (participates in β ladder)trans-117.8143.3177.3-63.6171.4000109.1L273L266-L273 PolarHBondContact N-O 3.44Å; L266-L273 PolarHBondContact O-N 3.29Å
267T89.8Confident90.3Very high70 Ų7069 Ų6943%0.42939%0.388SS..EExtended strand (participates in β ladder)trans-103.9126.6174.750.60000109.9F241 F265 I272F241-T267 HydrophobicContact CD1-CG2 4.28Å; F241-T267 HydrophobicContact CE1-CG2 3.63Å; F241-T267 HydrophobicContact CZ-CG2 4.28Å; F265-T267 HydrophobicContact CD2-CG2 4.23Å; F265-T267 HydrophobicContact CE2-CG2 3.95Å; T267-I272 HydrophobicContact CG2-CG2 4.21Å
268Q84.5Confident90Very high88 Ų8865.8 Ų65.841%0.41137%0.369SS..EExtended strand (participates in β ladder)trans-128.4101.8174.6-169.4173.745.400108.5D270 D271 L273Q268-D270 PolarHBondContact O-N 3.06Å; Q268-D271 PolarHBondContact N-O 3.45Å; Q268-D271 PolarHBondContact O-N 2.95Å; Q268-L273 HydrophobicContact CB-CD1 4.37Å
269R81.9Confident89.5Confident234 Ų23472.8 Ų72.888%0.88339%0.39SS*.THydrogen-bonded Turntrans56.4-112.2-171.5-56177.3178.9172.6-0.9111.9R244R244-R269 PolarHBondContact NH2-O 3.37Å
270D82.1Confident88.3Confident115 Ų11578.2 Ų78.262%0.61541%0.41SS*.THydrogen-bonded Turntrans-92.2-9.8179.4-68.9-46.9000113.2R244 Q268R244-D270 IonicContact CZ-OD1 3.98Å; R244-D270 VanDerWaalsContact NH1-C 3.34Å; R244-D270 VanDerWaalsContact NH1-CA 3.33Å; R244-D270 PolarHBondContact NH1-O 3.24Å; R244-D270 IonicContact NH1-OD1 3.14Å; R244-D270 IonicContact NH2-OD1 2.6Å; R244-D270 PolarHBondContact NH2-OD1 3.33Å; Q268-D270 PolarHBondContact O-N 3.06Å
271D87.1Confident86.5Confident64 Ų6486.7 Ų86.734%0.34245%0.446SS..EExtended strand (participates in β ladder)trans-96.6146.9-174.2-61.7-32.5000112.6M254 Q268M254-D271 HydrophobicContact CB-CB 4.3Å; M254-D271 VanDerWaalsContact CE-OD1 3.25Å; M254-D271 WeakPolarHBondContact CE-OD1 3.27Å; M254-D271 HydrophobicContact CG-CB 4.36Å; Q268-D271 PolarHBondContact N-O 3.45Å; Q268-D271 PolarHBondContact O-N 2.95Å
272I91.3Very high86.3Confident11 Ų1188 Ų886%0.05645%0.45CS..EExtended strand (participates in β ladder)trans-109.6129.3170.951.9173.8000109.5W246 F251 M254 L260 F265 T267W246-I272 HydrophobicContact CZ2-CD1 4.17Å; W246-I272 HydrophobicContact CZ2-CG2 4.36Å; F251-I272 HydrophobicContact CD2-CD1 3.57Å; F251-I272 HydrophobicContact CE2-CD1 3.53Å; F251-I272 HydrophobicContact CG-CD1 4.44Å; F251-I272 HydrophobicContact CZ-CD1 4.37Å; M254-I272 PolarHBondContact N-O 3.2Å; L260-I272 HydrophobicContact CD1-CB 4.12Å; L260-I272 HydrophobicContact CD1-CD1 4.08Å; L260-I272 HydrophobicContact CD1-CG1 4.16Å; F265-I272 HydrophobicContact CD2-CG2 4.34Å; T267-I272 HydrophobicContact CG2-CG2 4.21Å
273L92.6Very high86.1Confident6 Ų688 Ų883%0.03143%0.426CS..EExtended strand (participates in β ladder)trans-124.7147.6-175.9-61.6173.6000110.6M254 Q255 F265 L266 Q268 C277M254-L273 HydrophobicContact CB-CD2 4.02Å; Q255-L273 HydrophobicContact CB-CD2 4.29Å; Q255-L273 HydrophobicContact CG-CD2 3.8Å; F265-L273 CarbonylContact C-O 3.58Å; F265-L273 WeakPolarHBondContact CA-O 3.1Å; F265-L273 WeakPolarHBondContact CB-O 3.48Å; L266-L273 PolarHBondContact N-O 3.44Å; L266-L273 PolarHBondContact O-N 3.29Å; Q268-L273 HydrophobicContact CB-CD1 4.37Å; L273-C277 HydrophobicContact CB-CB 4.5Å
274C93.7Very high85.9Confident11 Ų1184.2 Ų84.27%0.07442%0.417CS..EExtended strand (participates in β ladder)trans-68.1161.5165.769.90000110C253 V258 L260 D276 C277 G278C253-C274 HydrophobicContact CB-CB 4.16Å; C253-C274 PolarHBondContact SG-N 3.29Å; V258-C274 HydrophobicContact CG1-CB 3.96Å; L260-C274 HydrophobicContact CD2-CB 3.58Å; C274-D276 PolarHBondContact O-N 2.96Å; C274-C277 PolarHBondContact O-N 3.34Å; C274-C277 VanDerWaalsContact SG-CB 3.54Å; C274-C277 PolarHBondContact SG-N 3.22Å; C274-C277 VanDerWaalsContact SG-N 3.42Å; C274-C277 PolarHBondContact SG-SG 3.49Å; C274-G278 PolarHBondContact O-N 3.03Å
275T91.9Very high85.7Confident47 Ų4786.1 Ų86.129%0.28841%0.41SS..Hα-helixtrans-59.1-29.8179.849.30000113.5R279T275-R279 WeakPolarHBondContact O-CB 3.11Å; T275-R279 VanDerWaalsContact O-CD 3.27Å; T275-R279 WeakPolarHBondContact O-CD 3.25Å; T275-R279 WeakPolarHBondContact O-CG 3.44Å; T275-R279 PolarHBondContact O-N 2.92Å
276D91.6Very high85.2Confident105 Ų10587.9 Ų87.956%0.56142%0.42SS*.Hα-helixtrans-74.6-54.7-178.6-52.5-33.5000110C274 G278 R279 E280C274-D276 PolarHBondContact O-N 2.96Å; D276-G278 VanDerWaalsContact C-N 3.25Å; D276-G278 PolarHBondContact O-N 3.18Å; D276-R279 PolarHBondContact O-N 3.3Å; D276-E280 PolarHBondContact O-N 2.63Å
277C91.8Very high84.8Confident16 Ų1688.5 Ų88.511%0.10842%0.42CS..Hα-helixtrans-57.2-35.5175.2-75.10000113.5Q255 C256 L273 C274Q255-C277 HydrophobicContact CB-CB 4.36Å; Q255-C277 PolarHBondContact OE1-O 2.95Å; C256-C277 VanDerWaalsContact SG-SG 3.67Å; L273-C277 HydrophobicContact CB-CB 4.5Å; C274-C277 PolarHBondContact O-N 3.34Å; C274-C277 VanDerWaalsContact SG-CB 3.54Å; C274-C277 PolarHBondContact SG-N 3.22Å; C274-C277 VanDerWaalsContact SG-N 3.42Å; C274-C277 PolarHBondContact SG-SG 3.49Å
278G86.3Confident84.5Confident21 Ų2189.8 Ų89.822%0.21642%0.42CS..Hα-helixtrans-79.8-13.1178.800000114.9C274 D276C274-G278 PolarHBondContact O-N 3.03Å; D276-G278 VanDerWaalsContact C-N 3.25Å; D276-G278 PolarHBondContact O-N 3.18Å
279R83.6Confident84.5Confident192 Ų19289.9 Ų89.973%0.72542%0.42SS*.Hα-helixtrans-91.6-17.7174.4-76.4170.3-173.1-175.83.2113.2T275 D276 K281T275-R279 WeakPolarHBondContact O-CB 3.11Å; T275-R279 VanDerWaalsContact O-CD 3.27Å; T275-R279 WeakPolarHBondContact O-CD 3.25Å; T275-R279 WeakPolarHBondContact O-CG 3.44Å; T275-R279 PolarHBondContact O-N 2.92Å; D276-R279 PolarHBondContact O-N 3.3Å; R279-K281 PolarHBondContact O-N 3.48Å
280E68.3Low84.7Confident168 Ų16877.9 Ų77.979%0.78538%0.382SS*.  trans-81.916.4176.8-68.8-176.4161.500113.3D276D276-E280 PolarHBondContact O-N 2.63Å
281K56.1Low84.9Confident179 Ų17974.5 Ų74.578%0.77836%0.361SS*.  trans-129.60176.1-84.8-173.7179.4175.10112.4R279R279-K281 PolarHBondContact O-N 3.48Å

Retrieved 281 of 281 residues in 132.1 ms (Link to these results)

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