A0A077Z6S7_TRITR Loading...

Arrestin C and Arrestin N domain containing prote in

AlphaFold DB , UniProt , Accession A0A077Z6S7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 310 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
1M48.4Very low79.1Confident215 Ų21568.2 Ų68.2100%1.05935%0.352SS*.  0122.40-85.8179.9-169.900106.9S3M1-S3 PolarHBondContact O-N 3.29Å
2K52.4Low80.4Confident143 Ų14369 Ų6962%0.62236%0.358SS*.  54.468.2104.1-64.4-173.9176.9-174.90111.4F4 S33K2-F4 PolarHBondContact O-N 2.71Å; K2-S33 PolarHBondContact O-OG 2.79Å
3S62.4Low81.2Confident17 Ų1767.2 Ų67.212%0.11935%0.351CS..SBendtrans-55.3-41.8173.3-38.90000109.5M1 H5 L32 S33M1-S3 PolarHBondContact O-N 3.29Å; S3-H5 PolarHBondContact O-N 3.31Å; S3-L32 CarbonylContact O-C 3.6Å; S3-L32 WeakPolarHBondContact O-CA 3.19Å; S3-S33 PolarHBondContact O-N 3.13Å
4F69.5Low81.4Confident21 Ų2171.1 Ų71.19%0.09237%0.373CS..EExtended strand (participates in β ladder)trans-79114.8165-72.3-84.9000111.8K2 F7 V30 S31 L32 L36 I38 A122 L124 I141K2-F4 PolarHBondContact O-N 2.71Å; F4-F7 HydrophobicContact CD1-CB 3.83Å; F4-F7 HydrophobicContact CD1-CD2 4.14Å; F4-F7 HydrophobicContact CD1-CG 4.31Å; F4-F7 HydrophobicContact CE1-CB 4.18Å; F4-F7 AromaticContact CE1-CD2 3.62Å; F4-F7 HydrophobicContact CE1-CD2 3.62Å; F4-F7 HydrophobicContact CE1-CE2 4.34Å; F4-F7 HydrophobicContact CE1-CG 4.16Å; F4-F7 HydrophobicContact CZ-CD2 4.38Å; F4-V30 HydrophobicContact CD1-CG1 4.09Å; F4-V30 HydrophobicContact CE1-CG1 3.66Å; F4-S31 CarbonylContact C-O 3.57Å; F4-S31 WeakPolarHBondContact CA-O 3.34Å; F4-L32 HydrophobicContact CD1-CD2 3.66Å; F4-L32 HydrophobicContact CD2-CD2 4.37Å; F4-L32 HydrophobicContact CE1-CD2 3.76Å; F4-L32 HydrophobicContact CE2-CD2 4.43Å; F4-L32 HydrophobicContact CG-CD2 4.01Å; F4-L32 HydrophobicContact CZ-CD2 4.15Å; F4-L36 HydrophobicContact CD2-CD2 3.66Å; F4-L36 HydrophobicContact CE2-CD2 3.09Å; F4-L36 HydrophobicContact CZ-CD2 3.71Å; F4-I38 HydrophobicContact CE1-CD1 4.46Å; F4-I38 HydrophobicContact CZ-CD1 3.84Å; F4-A122 HydrophobicContact CZ-CB 4.16Å; F4-L124 HydrophobicContact CE2-CD2 4.15Å; F4-I141 HydrophobicContact CD2-CD1 3.29Å; F4-I141 HydrophobicContact CE2-CD1 3.23Å; F4-I141 HydrophobicContact CG-CD1 4.25Å; F4-I141 HydrophobicContact CZ-CD1 4.15Å
5H77.1Confident81.7Confident148 Ų14873.5 Ų73.569%0.68540%0.398SS*.EExtended strand (participates in β ladder)trans-82.5-33.2162.1-178.3-95.7000111.1S3 S31S3-H5 PolarHBondContact O-N 3.31Å; H5-S31 PolarHBondContact N-O 2.83Å; H5-S31 PolarHBondContact ND1-OG 3.15Å
6A84.4Confident82.2Confident41 Ų4170.6 Ų70.634%0.33939%0.39SS..EExtended strand (participates in β ladder)trans-151.2143.2172.900000111.3S31A6-S31 PolarHBondContact N-O 2.91Å; A6-S31 PolarHBondContact O-N 2.89Å
7F91.6Very high82.8Confident27 Ų2774.6 Ų74.612%0.11840%0.398CS..EExtended strand (participates in β ladder)trans-14699.5170.8-174-108.7000107F4 L28 M29 V30 L41 A120 A122 I141 V143F4-F7 HydrophobicContact CD1-CB 3.83Å; F4-F7 HydrophobicContact CD1-CD2 4.14Å; F4-F7 HydrophobicContact CD1-CG 4.31Å; F4-F7 HydrophobicContact CE1-CB 4.18Å; F4-F7 AromaticContact CE1-CD2 3.62Å; F4-F7 HydrophobicContact CE1-CD2 3.62Å; F4-F7 HydrophobicContact CE1-CE2 4.34Å; F4-F7 HydrophobicContact CE1-CG 4.16Å; F4-F7 HydrophobicContact CZ-CD2 4.38Å; F7-L28 HydrophobicContact CD2-CD1 4.27Å; F7-L28 HydrophobicContact CE2-CD1 3.83Å; F7-L28 HydrophobicContact CE2-CD2 4.13Å; F7-L28 HydrophobicContact CE2-CG 4.35Å; F7-L28 HydrophobicContact CZ-CD1 4.11Å; F7-M29 WeakPolarHBondContact CA-O 3.37Å; F7-V30 HydrophobicContact CD2-CG2 3.97Å; F7-V30 HydrophobicContact CE2-CG2 4.16Å; F7-L41 HydrophobicContact CE2-CD2 4.08Å; F7-A120 HydrophobicContact CE1-CB 4.18Å; F7-A120 WeakPolarHBondContact CE1-O 3.32Å; F7-A120 HydrophobicContact CZ-CB 3.97Å; F7-A122 HydrophobicContact CE1-CB 4.49Å; F7-A122 HydrophobicContact CE2-CB 3.87Å; F7-A122 HydrophobicContact CZ-CB 3.76Å; F7-I141 HydrophobicContact CD1-CG2 3.79Å; F7-I141 HydrophobicContact CE1-CG2 4.22Å; F7-I141 HydrophobicContact CG-CG2 4.36Å; F7-V143 HydrophobicContact CD1-CB 4.08Å; F7-V143 HydrophobicContact CD1-CG1 3.65Å; F7-V143 HydrophobicContact CE1-CB 4.39Å; F7-V143 HydrophobicContact CE1-CG1 3.73Å
8D94.9Very high83.5Confident75 Ų7571.1 Ų71.140%0.40138%0.38SS..EExtended strand (participates in β ladder)trans-147.9162.4-169.1-163.912000111.8L28 M29D8-L28 WeakPolarHBondContact O-CD1 3.49Å; D8-M29 PolarHBondContact N-O 2.85Å; D8-M29 PolarHBondContact O-N 2.77Å
9I96.6Very high84Confident2 Ų270.7 Ų70.71%0.0138%0.377CS..EExtended strand (participates in β ladder)trans-111.9121.8-179.9-59.8160.5000109.2L11 F95 C118 A120 V143 K145I9-L11 HydrophobicContact CG2-CD2 3.65Å; I9-L11 HydrophobicContact CG2-CG 3.92Å; I9-F95 HydrophobicContact CG2-CE1 4.18Å; I9-F95 HydrophobicContact CG2-CZ 3.79Å; I9-C118 HydrophobicContact CD1-CB 4.28Å; I9-C118 VanDerWaalsContact CD1-O 3.28Å; I9-C118 WeakPolarHBondContact CD1-O 3.39Å; I9-C118 HydrophobicContact CG2-CB 4.41Å; I9-A120 HydrophobicContact CD1-CB 3.84Å; I9-A120 HydrophobicContact CG1-CB 3.78Å; I9-V143 HydrophobicContact CD1-CG1 3.97Å; I9-V143 HydrophobicContact CG1-CG1 3.91Å; I9-K145 HydrophobicContact CB-CB 4Å; I9-K145 HydrophobicContact CD1-CB 4.09Å; I9-K145 HydrophobicContact CG2-CB 4.19Å
10A96.2Very high84.6Confident36 Ų3667.4 Ų67.430%0.29836%0.359SS..EExtended strand (participates in β ladder)trans-101.7110.3167.600000109.1G26 R27 M29A10-G26 CarbonylContact O-C 3.6Å; A10-G26 WeakPolarHBondContact O-CA 3.46Å; A10-R27 PolarHBondContact N-O 2.8Å; A10-R27 PolarHBondContact O-N 2.86Å; A10-M29 HydrophobicContact CB-CG 4.13Å
11L96.8Very high85.1Confident25 Ų2566.1 Ų66.113%0.13136%0.362CS..EExtended strand (participates in β ladder)trans-91.3132.6174.9-59.1176.1000110.3I9 T13 L24 F95 C118 K145 F147I9-L11 HydrophobicContact CG2-CD2 3.65Å; I9-L11 HydrophobicContact CG2-CG 3.92Å; L11-T13 VanDerWaalsContact C-N 3.33Å; L11-T13 HydrophobicContact CB-CG2 3.73Å; L11-T13 PolarHBondContact O-N 2.94Å; L11-L24 HydrophobicContact CD2-CD1 4.28Å; L11-F95 HydrophobicContact CD2-CE2 3.98Å; L11-F95 HydrophobicContact CD2-CZ 3.73Å; L11-C118 HydrophobicContact CD1-CB 4.39Å; L11-C118 HydrophobicContact CD2-CB 4.09Å; L11-K145 HydrophobicContact CD1-CB 4.42Å; L11-K145 HydrophobicContact CD1-CG 3.9Å; L11-K145 HydrophobicContact CG-CG 4.23Å; L11-F147 HydrophobicContact CD1-CB 4.04Å; L11-F147 HydrophobicContact CD1-CD1 3.95Å; L11-F147 HydrophobicContact CD1-CG 4.33Å
12D95Very high87.4Confident78 Ų7858.6 Ų58.642%0.41733%0.328SS..  trans-83.981.2176.4-61.2-42.5000108.5T25 R27D12-T25 PolarHBondContact N-O 2.86Å; D12-R27 IonicContact OD1-CZ 3.75Å; D12-R27 IonicContact OD1-NE 2.8Å; D12-R27 IonicContact OD1-NH2 3.72Å; D12-R27 PolarHBondContact OD1-NH2 2.92Å
13T90.1Very high89.5Confident45 Ų4555.1 Ų55.128%0.27632%0.319SS..  trans-127.8153.5-173.760.60000111.3L11 S15 G16 V18 L24L11-T13 VanDerWaalsContact C-N 3.33Å; L11-T13 HydrophobicContact CB-CG2 3.73Å; L11-T13 PolarHBondContact O-N 2.94Å; T13-S15 PolarHBondContact O-N 2.96Å; T13-G16 VanDerWaalsContact OG1-CA 3.29Å; T13-G16 WeakPolarHBondContact OG1-CA 3.43Å; T13-G16 PolarHBondContact OG1-N 3.21Å; T13-V18 HydrophobicContact CG2-CG2 3.5Å; T13-V18 VanDerWaalsContact CG2-CG2 3.5Å; T13-L24 HydrophobicContact CG2-CD1 4.04Å
14D84.8Confident91.2Very high122 Ų12254.5 Ų54.565%0.65231%0.314SS*.BIsolated β-bridgetrans-80.8104.6168.4179.113.6000109.2G16 R17D14-G16 PolarHBondContact O-N 3.04Å; D14-R17 WeakPolarHBondContact O-CB 3.47Å; D14-R17 PolarHBondContact O-N 2.95Å
15S86Confident92.5Very high108 Ų10855.8 Ų55.876%0.75532%0.324SS*.THydrogen-bonded Turntrans55.531.4174.9-510000113.5T13 R17T13-S15 PolarHBondContact O-N 2.96Å; S15-R17 VanDerWaalsContact C-N 3.34Å
16G88.7Confident93.4Very high26 Ų2648.8 Ų48.827%0.26829%0.292SS..THydrogen-bonded Turntrans80.17.5-177.200000115.1T13 D14 L148T13-G16 VanDerWaalsContact OG1-CA 3.29Å; T13-G16 WeakPolarHBondContact OG1-CA 3.43Å; T13-G16 PolarHBondContact OG1-N 3.21Å; D14-G16 PolarHBondContact O-N 3.04Å; G16-L148 PolarHBondContact O-N 2.92Å
17R92.7Very high94Very high139 Ų13952 Ų5253%0.52530%0.295SS..EExtended strand (participates in β ladder)trans-100.5142.1-179.9-61.2-179.6178.1-162.7-1.3111.9D14 S15 L148D14-R17 WeakPolarHBondContact O-CB 3.47Å; D14-R17 PolarHBondContact O-N 2.95Å; S15-R17 VanDerWaalsContact C-N 3.34Å; R17-L148 CarbonylContact C-O 3.55Å; R17-L148 VanDerWaalsContact CA-O 3.3Å; R17-L148 WeakPolarHBondContact CA-O 3.41Å; R17-L148 HydrophobicContact CG-CB 4.3Å
18V94.8Very high94.2Very high11 Ų1150.7 Ų50.77%0.06729%0.29CS..EExtended strand (participates in β ladder)trans-138.5136.3179.2-172.10000108.8T13 L24 L99 F147 L148 L149 V150T13-V18 HydrophobicContact CG2-CG2 3.5Å; T13-V18 VanDerWaalsContact CG2-CG2 3.5Å; V18-L24 HydrophobicContact CG1-CD1 4.46Å; V18-L24 HydrophobicContact CG2-CD1 3.92Å; V18-L99 HydrophobicContact CG1-CD1 3.55Å; V18-F147 HydrophobicContact CB-CD2 3.97Å; V18-F147 HydrophobicContact CB-CE2 4.3Å; V18-F147 HydrophobicContact CG2-CB 4.31Å; V18-F147 HydrophobicContact CG2-CD2 3.64Å; V18-F147 HydrophobicContact CG2-CE2 4.28Å; V18-F147 HydrophobicContact CG2-CG 4.21Å; V18-L148 PolarHBondContact N-O 2.87Å; V18-L149 CarbonylContact O-C 3.6Å; V18-L149 VanDerWaalsContact O-CA 3.3Å; V18-L149 WeakPolarHBondContact O-CA 3.5Å; V18-V150 PolarHBondContact O-N 2.94Å
19M94.5Very high94.1Very high65 Ų6550.8 Ų50.832%0.3229%0.288SS..EExtended strand (participates in β ladder)trans-90.8141.5178-56.4-62.7-64.300110.9T22 V150 I152M19-T22 HydrophobicContact CB-CG2 3.82Å; M19-T22 WeakPolarHBondContact O-CB 3.43Å; M19-T22 PolarHBondContact O-N 3.23Å; M19-T22 PolarHBondContact O-OG1 3.48Å; M19-V150 CarbonylContact C-O 3.42Å; M19-V150 WeakPolarHBondContact CA-O 3.21Å; M19-V150 HydrophobicContact CE-CB 4.17Å; M19-V150 HydrophobicContact CE-CG1 3.92Å; M19-V150 HydrophobicContact SD-CB 3.74Å; M19-V150 HydrophobicContact SD-CG1 4.05Å; M19-I152 HydrophobicContact CB-CD1 3.95Å; M19-I152 HydrophobicContact CB-CG1 4.28Å; M19-I152 HydrophobicContact CE-CD1 3.92Å; M19-I152 HydrophobicContact CE-CG1 3.34Å
20A95.5Very high93.9Very high4 Ų450.9 Ų50.93%0.03329%0.289CS..THydrogen-bonded Turntrans-55.9147169.400000111T22 L103 L149 V150A20-T22 PolarHBondContact O-N 2.82Å; A20-L103 HydrophobicContact CB-CB 3.98Å; A20-L149 HydrophobicContact CB-CD2 4.31Å; A20-V150 PolarHBondContact N-O 2.63Å
21G95.5Very high93.6Very high40 Ų4049.9 Ų49.941%0.41228%0.28SS..THydrogen-bonded Turntrans76.60.6-177.600000115.6L99 P100G21-L99 CarbonylContact C-O 3.5Å; G21-L99 VanDerWaalsContact CA-O 3.23Å; G21-L99 WeakPolarHBondContact CA-O 3.33Å; G21-P100 PolarHBondContact N-O 3.35Å
22T95.5Very high93.3Very high57 Ų5749 Ų4935%0.3528%0.275SS..SBendtrans-98.8173.8177.468.70000112.4M19 A20 L99M19-T22 HydrophobicContact CB-CG2 3.82Å; M19-T22 WeakPolarHBondContact O-CB 3.43Å; M19-T22 PolarHBondContact O-N 3.23Å; M19-T22 PolarHBondContact O-OG1 3.48Å; A20-T22 PolarHBondContact O-N 2.82Å; T22-L99 VanDerWaalsContact O-CB 3.28Å; T22-L99 WeakPolarHBondContact O-CB 3.49Å; T22-L99 PolarHBondContact O-N 3.47Å
23V96.8Very high92.9Very high71 Ų7148.6 Ų48.643%0.4328%0.279SS..EExtended strand (participates in β ladder)trans-93.5116.7174.9-171.80000109T25 Q96 F97 N98V23-T25 HydrophobicContact CG1-CG2 3.92Å; V23-Q96 HydrophobicContact CG1-CB 4.05Å; V23-F97 CarbonylContact C-O 3.38Å; V23-F97 WeakPolarHBondContact CA-O 3.48Å; V23-N98 WeakPolarHBondContact CG2-OD1 3.26Å
24L97.3Very high92.7Very high3 Ų348.3 Ų48.32%0.01628%0.281CS..EExtended strand (participates in β ladder)trans-76.9122.2168.6177.458.7000108.6L11 T13 V18 V45 Q96 F97 L99 F147L11-L24 HydrophobicContact CD2-CD1 4.28Å; T13-L24 HydrophobicContact CG2-CD1 4.04Å; V18-L24 HydrophobicContact CG1-CD1 4.46Å; V18-L24 HydrophobicContact CG2-CD1 3.92Å; L24-V45 HydrophobicContact CD2-CG1 4.31Å; L24-V45 HydrophobicContact CD2-CG2 3.83Å; L24-Q96 CarbonylContact O-C 3.57Å; L24-Q96 VanDerWaalsContact O-CA 3.23Å; L24-Q96 WeakPolarHBondContact O-CA 3.39Å; L24-F97 PolarHBondContact N-O 3.38Å; L24-F97 PolarHBondContact O-N 3.43Å; L24-L99 HydrophobicContact CB-CD1 4.13Å; L24-L99 HydrophobicContact CB-CD2 4.42Å; L24-L99 HydrophobicContact CB-CG 4.19Å; L24-F147 HydrophobicContact CD2-CD1 4.36Å; L24-F147 HydrophobicContact CD2-CE1 3.8Å; L24-F147 HydrophobicContact CD2-CE2 4.39Å; L24-F147 HydrophobicContact CD2-CZ 3.8Å
25T97.2Very high92.7Very high48 Ų4846.2 Ų46.229%0.29427%0.274SS..EExtended strand (participates in β ladder)trans-119.9153.6177.753.80000110.5D12 V23 Q96D12-T25 PolarHBondContact N-O 2.86Å; V23-T25 HydrophobicContact CG1-CG2 3.92Å; T25-Q96 HydrophobicContact CG2-CB 4Å
26G96.9Very high92.7Very high2 Ų241.2 Ų41.22%0.02124%0.239CC..EExtended strand (participates in β ladder)trans-176.1-176.3178.500000112.8A10 P94 F95A10-G26 CarbonylContact O-C 3.6Å; A10-G26 WeakPolarHBondContact O-CA 3.46Å; G26-P94 CarbonylContact O-C 3.51Å; G26-P94 WeakPolarHBondContact O-CA 3.3Å; G26-F95 PolarHBondContact N-O 2.91Å; G26-F95 VanDerWaalsContact N-O 3.1Å; G26-F95 PolarHBondContact O-N 2.73Å
27R96.2Very high92.5Very high108 Ų10841.8 Ų41.841%0.40824%0.238SC..EExtended strand (participates in β ladder)trans-133.4131.4-179.5-73.1162.8-78.1174.3-2.6110.3A10 D12 M29 L93 F95A10-R27 PolarHBondContact N-O 2.8Å; A10-R27 PolarHBondContact O-N 2.86Å; D12-R27 IonicContact OD1-CZ 3.75Å; D12-R27 IonicContact OD1-NE 2.8Å; D12-R27 IonicContact OD1-NH2 3.72Å; D12-R27 PolarHBondContact OD1-NH2 2.92Å; R27-M29 HydrophobicContact CB-SD 4.19Å; R27-L93 CarbonylContact C-O 3.48Å; R27-L93 WeakPolarHBondContact CA-O 3.19Å; R27-F95 VanDerWaalsContact C-CE1 3.5Å
28L95.8Very high92.2Very high0 Ų035.3 Ų35.30%021%0.213CC..EExtended strand (participates in β ladder)trans-81.7113.4165.5177.457.3000108.1F7 D8 V30 L41 V43 L93 F95 A120F7-L28 HydrophobicContact CD2-CD1 4.27Å; F7-L28 HydrophobicContact CE2-CD1 3.83Å; F7-L28 HydrophobicContact CE2-CD2 4.13Å; F7-L28 HydrophobicContact CE2-CG 4.35Å; F7-L28 HydrophobicContact CZ-CD1 4.11Å; D8-L28 WeakPolarHBondContact O-CD1 3.49Å; L28-V30 HydrophobicContact CD1-CG2 4.41Å; L28-V30 HydrophobicContact CD2-CG2 4.26Å; L28-V30 HydrophobicContact CG-CG2 3.84Å; L28-L41 HydrophobicContact CD2-CD1 4.32Å; L28-L41 HydrophobicContact CD2-CD2 4.43Å; L28-V43 HydrophobicContact CB-CG2 4.35Å; L28-V43 HydrophobicContact CD2-CG2 4.13Å; L28-L93 HydrophobicContact CB-CB 4.35Å; L28-L93 PolarHBondContact N-O 2.89Å; L28-L93 PolarHBondContact O-N 2.82Å; L28-F95 HydrophobicContact CB-CD1 4.47Å; L28-A120 HydrophobicContact CD1-CB 3.46Å; L28-A120 VanDerWaalsContact CD1-CB 3.46Å; L28-A120 HydrophobicContact CD2-CB 4.34Å; L28-A120 HydrophobicContact CG-CB 4.48Å
29M94.2Very high91.8Very high76 Ų7639.9 Ų39.937%0.37423%0.234SC..EExtended strand (participates in β ladder)trans-91.5111.8-179.1-60.1-60.7-63.700109F7 D8 A10 R27 Y91 A92F7-M29 WeakPolarHBondContact CA-O 3.37Å; D8-M29 PolarHBondContact N-O 2.85Å; D8-M29 PolarHBondContact O-N 2.77Å; A10-M29 HydrophobicContact CB-CG 4.13Å; R27-M29 HydrophobicContact CB-SD 4.19Å; M29-Y91 WeakPolarHBondContact CA-O 3.46Å; M29-A92 HydrophobicContact CE-CB 4.25Å; M29-A92 HydrophobicContact SD-CB 3.7Å
30V91.4Very high91.5Very high5 Ų539.9 Ų39.93%0.0323%0.233CC..EExtended strand (participates in β ladder)trans-120.6120.4179.6-175.30000109.2F4 F7 L28 L32 N90 Y91F4-V30 HydrophobicContact CD1-CG1 4.09Å; F4-V30 HydrophobicContact CE1-CG1 3.66Å; F7-V30 HydrophobicContact CD2-CG2 3.97Å; F7-V30 HydrophobicContact CE2-CG2 4.16Å; L28-V30 HydrophobicContact CD1-CG2 4.41Å; L28-V30 HydrophobicContact CD2-CG2 4.26Å; L28-V30 HydrophobicContact CG-CG2 3.84Å; V30-L32 HydrophobicContact CG1-CD1 4.45Å; V30-L32 HydrophobicContact CG1-CD2 4.07Å; V30-L32 HydrophobicContact CG1-CG 3.94Å; V30-N90 CarbonylContact O-C 3.45Å; V30-N90 WeakPolarHBondContact O-CA 3.44Å; V30-Y91 HydrophobicContact CB-CD2 4.47Å; V30-Y91 PolarHBondContact N-O 2.85Å; V30-Y91 PolarHBondContact O-N 3.33Å
31S90.7Very high91.4Very high15 Ų1539.8 Ų39.811%0.10523%0.232CC..EExtended strand (participates in β ladder)trans-117117.2173.3-176.60000108.8F4 H5 A6 G89 N90F4-S31 CarbonylContact C-O 3.57Å; F4-S31 WeakPolarHBondContact CA-O 3.34Å; H5-S31 PolarHBondContact N-O 2.83Å; H5-S31 PolarHBondContact ND1-OG 3.15Å; A6-S31 PolarHBondContact N-O 2.91Å; A6-S31 PolarHBondContact O-N 2.89Å; S31-G89 WeakPolarHBondContact CA-O 3.3Å; S31-N90 VanDerWaalsContact CB-OD1 3.26Å; S31-N90 WeakPolarHBondContact CB-OD1 3.32Å; S31-N90 PolarHBondContact OG-OD1 2.86Å
32L89.1Confident91.4Very high6 Ų639.2 Ų39.23%0.03122%0.22CC..EExtended strand (participates in β ladder)trans-110.9121-179.4-63.6179.3000110.7S3 F4 V30 L36 I38 V86 R87 S88 G89 Y91S3-L32 CarbonylContact O-C 3.6Å; S3-L32 WeakPolarHBondContact O-CA 3.19Å; F4-L32 HydrophobicContact CD1-CD2 3.66Å; F4-L32 HydrophobicContact CD2-CD2 4.37Å; F4-L32 HydrophobicContact CE1-CD2 3.76Å; F4-L32 HydrophobicContact CE2-CD2 4.43Å; F4-L32 HydrophobicContact CG-CD2 4.01Å; F4-L32 HydrophobicContact CZ-CD2 4.15Å; V30-L32 HydrophobicContact CG1-CD1 4.45Å; V30-L32 HydrophobicContact CG1-CD2 4.07Å; V30-L32 HydrophobicContact CG1-CG 3.94Å; L32-L36 HydrophobicContact CD1-CB 4.28Å; L32-L36 HydrophobicContact CD2-CB 4.34Å; L32-L36 HydrophobicContact CD2-CD2 4.09Å; L32-I38 HydrophobicContact CD1-CD1 4.44Å; L32-V86 HydrophobicContact CD1-CB 3.87Å; L32-V86 HydrophobicContact CD1-CG1 3.56Å; L32-R87 WeakPolarHBondContact CD1-O 3.38Å; L32-S88 WeakPolarHBondContact O-CA 3.31Å; L32-S88 WeakPolarHBondContact O-CB 3.35Å; L32-G89 PolarHBondContact N-O 3Å; L32-G89 PolarHBondContact O-N 2.99Å; L32-Y91 HydrophobicContact CD1-CE2 4.3Å
33S88Confident91.5Very high70 Ų7036.5 Ų36.549%0.4920%0.204SC..SBendtrans-80.2-21.3176.568.60000113K2 S3K2-S33 PolarHBondContact O-OG 2.79Å; S3-S33 PolarHBondContact O-N 3.13Å
34A85.7Confident91.6Very high39 Ų3933.6 Ų33.632%0.32219%0.187SC..SBendtrans-146.3155.9177.600000109.2L36A34-L36 PolarHBondContact O-N 3.41Å
35P84.6Confident91.6Very high77 Ų7733.4 Ų33.450%0.519%0.186SC..  trans-53.9139.3174.7-24.533.8000111.9I85 V86P35-I85 HydrophobicContact CB-CG2 3.62Å; P35-V86 CarbonylContact C-O 3.59Å; P35-V86 WeakPolarHBondContact CA-O 3.26Å
36L85.2Confident91.7Very high3 Ų335.2 Ų35.22%0.01619%0.19CC..EExtended strand (participates in β ladder)trans-136.6126.1-176.1-17165.7000111F4 L32 A34 I38 V86 L124 T128 C130F4-L36 HydrophobicContact CD2-CD2 3.66Å; F4-L36 HydrophobicContact CE2-CD2 3.09Å; F4-L36 HydrophobicContact CZ-CD2 3.71Å; L32-L36 HydrophobicContact CD1-CB 4.28Å; L32-L36 HydrophobicContact CD2-CB 4.34Å; L32-L36 HydrophobicContact CD2-CD2 4.09Å; A34-L36 PolarHBondContact O-N 3.41Å; L36-I38 HydrophobicContact CB-CG1 4.37Å; L36-I38 HydrophobicContact CD2-CD1 4.21Å; L36-I38 HydrophobicContact CD2-CG1 4.01Å; L36-I38 HydrophobicContact CG-CG1 4.07Å; L36-I38 PolarHBondContact O-N 3.46Å; L36-I38 VanDerWaalsContact O-N 3.15Å; L36-V86 PolarHBondContact N-O 2.81Å; L36-V86 PolarHBondContact O-N 2.88Å; L36-L124 HydrophobicContact CD2-CD2 3.8Å; L36-L124 HydrophobicContact CG-CD2 4.21Å; L36-T128 HydrophobicContact CD1-CG2 3.53Å; L36-C130 HydrophobicContact CD1-CB 4.27Å
37P85Confident91.7Very high38 Ų3835.3 Ų35.325%0.24719%0.191CC..EExtended strand (participates in β ladder)trans-69106.3170-19.233000110.6I85 A125P37-I85 HydrophobicContact CG-CG1 4.35Å; P37-A125 HydrophobicContact CB-CB 3.56Å; P37-A125 PolarHBondContact O-N 3.15Å; P37-A125 VanDerWaalsContact O-N 3.13Å
38I86.9Confident91.8Very high3 Ų333 Ų332%0.01519%0.185CC..EExtended strand (participates in β ladder)trans-112.8115.9177-57.7179.8000107.2F4 L32 L36 L41 L77 V86 L124F4-I38 HydrophobicContact CE1-CD1 4.46Å; F4-I38 HydrophobicContact CZ-CD1 3.84Å; L32-I38 HydrophobicContact CD1-CD1 4.44Å; L36-I38 HydrophobicContact CB-CG1 4.37Å; L36-I38 HydrophobicContact CD2-CD1 4.21Å; L36-I38 HydrophobicContact CD2-CG1 4.01Å; L36-I38 HydrophobicContact CG-CG1 4.07Å; L36-I38 PolarHBondContact O-N 3.46Å; L36-I38 VanDerWaalsContact O-N 3.15Å; I38-L41 HydrophobicContact CG2-CD2 3.91Å; I38-L41 HydrophobicContact CG2-CG 3.94Å; I38-L77 HydrophobicContact CB-CD1 4.32Å; I38-L77 HydrophobicContact CG2-CD1 4.27Å; I38-V86 HydrophobicContact CB-CG2 3.94Å; I38-V86 HydrophobicContact CD1-CB 4.32Å; I38-V86 HydrophobicContact CD1-CG2 3.96Å; I38-V86 HydrophobicContact CG1-CG2 4.05Å; I38-L124 HydrophobicContact CG1-CD2 4.18Å
39H85.7Confident91.9Very high108 Ų10833.7 Ų33.750%0.519%0.188SC..EExtended strand (participates in β ladder)trans-77.3-37.2-179.7-178.960.1000112.1E84 T123H39-E84 IonicContact ND1-OE2 2.94Å; H39-T123 HydrophobicContact CB-CG2 4.5Å; H39-T123 PolarHBondContact N-O 3.35Å
40Q89.6Confident92.1Very high64 Ų6433.8 Ų33.830%0.29918%0.184SC..EExtended strand (participates in β ladder)trans-151.2140.1-177.9-154.8-177.817.700111.6V42 E74 A122 T123Q40-V42 HydrophobicContact CG-CG2 3.83Å; Q40-E74 HydrophobicContact CG-CG 4.06Å; Q40-E74 PolarHBondContact NE2-OE2 2.92Å; Q40-A122 CarbonylContact O-C 3.44Å; Q40-A122 WeakPolarHBondContact O-CA 3.43Å; Q40-T123 PolarHBondContact N-O 3.1Å; Q40-T123 PolarHBondContact O-N 2.82Å
41L92.1Very high92.4Very high2 Ų233.5 Ų33.51%0.0118%0.183CC..EExtended strand (participates in β ladder)trans-118.7119.8165.5-72.6-177.4000109.3F7 L28 I38 E74 I75 L77 L93 T121 A122F7-L41 HydrophobicContact CE2-CD2 4.08Å; L28-L41 HydrophobicContact CD2-CD1 4.32Å; L28-L41 HydrophobicContact CD2-CD2 4.43Å; I38-L41 HydrophobicContact CG2-CD2 3.91Å; I38-L41 HydrophobicContact CG2-CG 3.94Å; L41-E74 CarbonylContact O-C 3.59Å; L41-E74 WeakPolarHBondContact O-CA 3.4Å; L41-I75 HydrophobicContact CB-CB 4.1Å; L41-I75 PolarHBondContact O-N 2.85Å; L41-L77 HydrophobicContact CD1-CD1 3.87Å; L41-L77 HydrophobicContact CD1-CD2 3.56Å; L41-L77 HydrophobicContact CD1-CG 3.81Å; L41-L77 HydrophobicContact CG-CD1 4.08Å; L41-L77 HydrophobicContact CG-CG 4.46Å; L41-L93 HydrophobicContact CD1-CD1 3.7Å; L41-T121 WeakPolarHBondContact CA-O 3.44Å; L41-A122 HydrophobicContact CD2-CB 3.43Å; L41-A122 VanDerWaalsContact CD2-CB 3.43Å
42V95.8Very high92.7Very high28 Ų2837.5 Ų37.517%0.1720%0.198CC..EExtended strand (participates in β ladder)trans-122.1131.2179-1800000109.1Q40 N72 T73 A120 T121Q40-V42 HydrophobicContact CG-CG2 3.83Å; V42-N72 HydrophobicContact CG1-CB 3.99Å; V42-T73 WeakPolarHBondContact CA-O 3.18Å; V42-A120 CarbonylContact O-C 3.6Å; V42-A120 WeakPolarHBondContact O-CA 3.46Å; V42-T121 PolarHBondContact N-O 3.45Å; V42-T121 PolarHBondContact O-N 2.7Å
43V97.7Very high93.1Very high0 Ų038 Ų380%020%0.2CC..EExtended strand (participates in β ladder)trans-106.7135.7164.7-177.60000107.7L28 N72 T73 I75 F95 F97 C118 V119 A120L28-V43 HydrophobicContact CB-CG2 4.35Å; L28-V43 HydrophobicContact CD2-CG2 4.13Å; V43-N72 CarbonylContact O-C 3.59Å; V43-N72 VanDerWaalsContact O-CA 3.3Å; V43-N72 WeakPolarHBondContact O-CA 3.23Å; V43-T73 HydrophobicContact CB-CG2 4.35Å; V43-T73 PolarHBondContact N-O 3.27Å; V43-T73 PolarHBondContact O-N 2.86Å; V43-I75 HydrophobicContact CG2-CD1 4.19Å; V43-I75 HydrophobicContact CG2-CG1 3.78Å; V43-F95 HydrophobicContact CB-CD1 4.42Å; V43-F95 HydrophobicContact CB-CG 4.4Å; V43-F95 HydrophobicContact CG1-CD1 4.03Å; V43-F95 HydrophobicContact CG1-CD2 3.99Å; V43-F95 HydrophobicContact CG1-CE1 4.06Å; V43-F95 HydrophobicContact CG1-CE2 4.05Å; V43-F95 HydrophobicContact CG1-CG 3.98Å; V43-F95 HydrophobicContact CG1-CZ 4.07Å; V43-F95 HydrophobicContact CG2-CD1 3.98Å; V43-F95 HydrophobicContact CG2-CE1 4.39Å; V43-F95 HydrophobicContact CG2-CG 4.4Å; V43-F97 HydrophobicContact CB-CE2 4.48Å; V43-F97 HydrophobicContact CG1-CE2 3.9Å; V43-F97 HydrophobicContact CG1-CZ 4.33Å; V43-F97 WeakPolarHBondContact O-CZ 3.34Å; V43-C118 VanDerWaalsContact CG1-SG 3.56Å; V43-V119 CarbonylContact C-O 3.56Å; V43-V119 WeakPolarHBondContact CA-O 3.4Å; V43-A120 HydrophobicContact CG2-CB 4.26Å
44A98.1Very high93.5Very high10 Ų1038.4 Ų38.48%0.08320%0.199CC..EExtended strand (participates in β ladder)trans-129.9147.6178.200000110.8F71 N72 C118 V119A44-F71 CarbonylContact C-O 3.59Å; A44-F71 WeakPolarHBondContact CA-O 3.48Å; A44-F71 WeakPolarHBondContact CB-O 3.5Å; A44-N72 HydrophobicContact CB-CB 4.02Å; A44-C118 CarbonylContact O-C 3.53Å; A44-C118 VanDerWaalsContact O-CA 3.26Å; A44-C118 WeakPolarHBondContact O-CA 3.5Å; A44-V119 HydrophobicContact CB-CB 4.5Å; A44-V119 PolarHBondContact N-O 3.48Å; A44-V119 PolarHBondContact O-N 2.95Å
45V98.2Very high93.9Very high0 Ų038.6 Ų38.60%019%0.194CC..EExtended strand (participates in β ladder)trans-118.4119.6170.1174.50000107.5L24 I69 N70 F71 F97 L99 L117 F147L24-V45 HydrophobicContact CD2-CG1 4.31Å; L24-V45 HydrophobicContact CD2-CG2 3.83Å; V45-I69 HydrophobicContact CG1-CD1 3.94Å; V45-N70 WeakPolarHBondContact O-CA 3.36Å; V45-F71 PolarHBondContact N-O 3.19Å; V45-F71 PolarHBondContact O-N 2.81Å; V45-F97 HydrophobicContact CB-CD2 4.34Å; V45-F97 HydrophobicContact CB-CG 4.27Å; V45-F97 HydrophobicContact CG2-CB 4.28Å; V45-F97 HydrophobicContact CG2-CD1 4.31Å; V45-F97 HydrophobicContact CG2-CD2 3.34Å; V45-F97 HydrophobicContact CG2-CE2 3.63Å; V45-F97 HydrophobicContact CG2-CG 3.71Å; V45-F97 HydrophobicContact CG2-CZ 4.21Å; V45-L99 HydrophobicContact CG1-CD2 4.29Å; V45-L117 WeakPolarHBondContact CA-O 3.38Å; V45-F147 HydrophobicContact CG1-CE1 4.13Å; V45-F147 HydrophobicContact CG1-CZ 3.91Å
46K98.3Very high94.2Very high86 Ų8646 Ų4637%0.37421%0.213SC..EExtended strand (participates in β ladder)trans-118.9145.7-178.6-51.2-175-172.8168.70109.6I69 Y116 L117 V119K46-I69 CarbonylContact C-O 3.6Å; K46-I69 VanDerWaalsContact CA-O 3.31Å; K46-I69 WeakPolarHBondContact CA-O 3.18Å; K46-Y116 CarbonylContact O-C 3.59Å; K46-Y116 VanDerWaalsContact O-CA 3.29Å; K46-Y116 WeakPolarHBondContact O-CA 3.16Å; K46-L117 HydrophobicContact CB-CD1 3.76Å; K46-L117 HydrophobicContact CB-CG 4.06Å; K46-L117 HydrophobicContact CD-CD1 4.05Å; K46-L117 HydrophobicContact CG-CD1 4.03Å; K46-L117 PolarHBondContact N-O 3.19Å; K46-L117 PolarHBondContact O-N 3.14Å; K46-V119 HydrophobicContact CD-CG2 4.37Å
47G98.2Very high94.5Very high3 Ų352.5 Ų52.53%0.03125%0.252CS..EExtended strand (participates in β ladder)trans-134.4138.1170.400000108.7I68 I69 R115 Y116G47-I68 WeakPolarHBondContact O-CB 3.28Å; G47-I68 PolarHBondContact O-N 2.93Å; G47-I69 PolarHBondContact N-O 3.05Å; G47-I69 PolarHBondContact O-N 3.3Å; G47-R115 CarbonylContact C-O 3.54Å; G47-R115 VanDerWaalsContact CA-O 3.31Å; G47-R115 WeakPolarHBondContact CA-O 3.43Å; G47-Y116 VanDerWaalsContact CA-CD1 3.46Å
48E97.7Very high94.8Very high60 Ų6053.4 Ų53.428%0.2826%0.259SS..EExtended strand (participates in β ladder)trans-141.8148.9178.364.8177.7-147.100111.6V65 E66 F113 I114 R115E48-V65 HydrophobicContact CB-CG1 4.32Å; E48-E66 WeakPolarHBondContact CA-O 3.11Å; E48-F113 HydrophobicContact CG-CE2 4.17Å; E48-F113 WeakPolarHBondContact OE1-CE2 3.48Å; E48-I114 WeakPolarHBondContact O-CA 3.42Å; E48-R115 PolarHBondContact N-O 2.78Å; E48-R115 PolarHBondContact O-N 3.34Å
49M98.1Very high95Very high15 Ų1561.1 Ų61.17%0.07430%0.295CS..EExtended strand (participates in β ladder)trans-100.6136.1159-53.1-168.5-177.300108.3V65 E66 I68 P104 F113 I114 L283 I284M49-V65 CarbonylContact O-C 3.49Å; M49-V65 WeakPolarHBondContact O-CA 3.34Å; M49-E66 HydrophobicContact CB-CB 4.47Å; M49-E66 PolarHBondContact N-O 2.85Å; M49-E66 PolarHBondContact O-N 3.21Å; M49-I68 HydrophobicContact CE-CD1 4.12Å; M49-I68 HydrophobicContact CE-CG1 4.43Å; M49-I68 HydrophobicContact CG-CD1 3.62Å; M49-I68 HydrophobicContact CG-CG1 3.94Å; M49-P104 HydrophobicContact CE-CB 3.84Å; M49-P104 HydrophobicContact CE-CG 3.41Å; M49-P104 VanDerWaalsContact CE-CG 3.41Å; M49-F113 CarbonylContact C-O 3.56Å; M49-F113 WeakPolarHBondContact CA-O 3.39Å; M49-I114 HydrophobicContact CE-CD1 4.15Å; M49-I114 HydrophobicContact CG-CD1 4.49Å; M49-I114 HydrophobicContact CG-CG1 4.06Å; M49-I114 HydrophobicContact CG-CG2 4.41Å; M49-I114 HydrophobicContact SD-CD1 4.38Å; M49-I114 HydrophobicContact SD-CG1 4.48Å; M49-L283 HydrophobicContact CB-CB 4.06Å; M49-L283 HydrophobicContact CB-CD1 4.27Å; M49-L283 HydrophobicContact CB-CG 4.49Å; M49-L283 HydrophobicContact SD-CB 4.27Å; M49-I284 HydrophobicContact SD-CB 4.41Å
50R98Very high95.4Very high77 Ų7757.8 Ų57.829%0.29128%0.283SS..EExtended strand (participates in β ladder)trans-132.3131.3170.2-178.1172.8-174.3178.13.3110.6D63 T64 V65 G112 F113R50-D63 IonicContact CZ-OD1 3.95Å; R50-D63 IonicContact CZ-OD2 3.17Å; R50-D63 IonicContact NE-OD1 2.8Å; R50-D63 PolarHBondContact NE-OD1 2.75Å; R50-D63 IonicContact NE-OD2 2.76Å; R50-D63 IonicContact NH2-OD1 3.45Å; R50-D63 PolarHBondContact NH2-OD1 3.46Å; R50-D63 VanDerWaalsContact NH2-OD1 3.08Å; R50-D63 IonicContact NH2-OD2 2.7Å; R50-D63 PolarHBondContact NH2-OD2 3.33Å; R50-T64 CarbonylContact C-O 3.55Å; R50-T64 VanDerWaalsContact CA-O 3.3Å; R50-T64 WeakPolarHBondContact CA-O 3.37Å; R50-V65 HydrophobicContact CB-CG2 4.19Å; R50-V65 HydrophobicContact CG-CG2 3.78Å; R50-G112 CarbonylContact O-C 3.57Å; R50-G112 WeakPolarHBondContact O-CA 3.49Å; R50-F113 HydrophobicContact CB-CD1 4.4Å; R50-F113 HydrophobicContact CB-CD2 4.46Å; R50-F113 HydrophobicContact CB-CE1 3.87Å; R50-F113 HydrophobicContact CB-CE2 3.92Å; R50-F113 HydrophobicContact CB-CZ 3.6Å; R50-F113 HydrophobicContact CG-CE1 4.27Å; R50-F113 HydrophobicContact CG-CZ 4.28Å; R50-F113 PolarHBondContact N-O 2.89Å; R50-F113 PolarHBondContact O-N 2.9Å
51T98.3Very high95.7Very high0 Ų059.1 Ų59.10%029%0.291CS..EExtended strand (participates in β ladder)trans-120137.5173.751.70000109.9D63 T64 F111 F228 Y229 A230 L283 I284T51-D63 CarbonylContact O-C 3.53Å; T51-D63 WeakPolarHBondContact O-CA 3.38Å; T51-T64 PolarHBondContact N-O 3.49Å; T51-T64 PolarHBondContact O-N 2.99Å; T51-F111 CarbonylContact C-O 3.51Å; T51-F111 VanDerWaalsContact CA-O 3.26Å; T51-F111 WeakPolarHBondContact CA-O 3.31Å; T51-F228 HydrophobicContact CG2-CB 3.99Å; T51-F228 HydrophobicContact CG2-CD1 4.11Å; T51-Y229 WeakPolarHBondContact CB-O 3.35Å; T51-Y229 WeakPolarHBondContact CG2-O 2.93Å; T51-Y229 PolarHBondContact OG1-O 2.81Å; T51-A230 WeakPolarHBondContact OG1-CB 3.47Å; T51-L283 HydrophobicContact CG2-CB 3.85Å; T51-I284 HydrophobicContact CG2-CD1 3.99Å; T51-I284 HydrophobicContact CG2-CG1 3.53Å
52K97.4Very high95.9Very high99 Ų9959.5 Ų59.543%0.4329%0.292SS..EExtended strand (participates in β ladder)trans-154.3131.4-176.5-173.6176.1-1761430113.4F62 D63 F111K52-F62 CarbonylContact C-O 3.5Å; K52-F62 WeakPolarHBondContact CA-O 3.45Å; K52-D63 HydrophobicContact CD-CB 4.43Å; K52-D63 WeakPolarHBondContact CD-OD2 3.28Å; K52-D63 WeakPolarHBondContact CE-OD2 3.47Å; K52-D63 HydrophobicContact CG-CB 4.13Å; K52-D63 IonicContact NZ-OD2 3.4Å; K52-D63 PolarHBondContact NZ-OD2 3.06Å; K52-F111 PolarHBondContact N-O 3.02Å
53W97.3Very high96Very high17 Ų1760.1 Ų60.16%0.06429%0.294CS..EExtended strand (participates in β ladder)trans-160.7169.7167.157.689.2000111.5F62 F111 F228 A230 R241W53-F62 AromaticContact CD1-CD2 3.67Å; W53-F62 HydrophobicContact CD2-CB 4.14Å; W53-F62 HydrophobicContact CG-CB 4.34Å; W53-F62 HydrophobicContact CZ2-CB 4.25Å; W53-F62 HydrophobicContact CZ2-CG 4.4Å; W53-F62 PolarHBondContact N-O 2.83Å; W53-F62 AromaticContact NE1-CD2 3.34Å; W53-F62 VanDerWaalsContact NE1-CD2 3.34Å; W53-F62 AromaticContact NE1-CG 3.62Å; W53-F62 PolarHBondContact O-N 2.9Å; W53-F62 VanDerWaalsContact O-O 3.04Å; W53-F111 HydrophobicContact CB-CD1 4.04Å; W53-F111 HydrophobicContact CE3-CB 3.86Å; W53-F111 HydrophobicContact CE3-CD1 4.4Å; W53-F111 HydrophobicContact CE3-CG 4.35Å; W53-F111 HydrophobicContact CZ3-CB 4.18Å; W53-F228 HydrophobicContact CH2-CB 4.16Å; W53-F228 HydrophobicContact CZ3-CB 3.78Å; W53-A230 HydrophobicContact CE3-CB 4.45Å; W53-A230 HydrophobicContact CH2-CB 3.31Å; W53-A230 HydrophobicContact CZ2-CB 3.66Å; W53-A230 HydrophobicContact CZ3-CB 3.76Å; W53-R241 HydrophobicContact CD2-CG 3.72Å; W53-R241 HydrophobicContact CE3-CG 4.06Å; W53-R241 HydrophobicContact CG-CG 4.17Å; W53-R241 HydrophobicContact CH2-CB 4.42Å; W53-R241 HydrophobicContact CH2-CG 4.18Å; W53-R241 HydrophobicContact CZ2-CG 3.88Å; W53-R241 HydrophobicContact CZ3-CB 4.43Å; W53-R241 HydrophobicContact CZ3-CG 4.26Å
54V95.7Very high95.9Very high77 Ų7761.2 Ų61.247%0.46730%0.301SS..EExtended strand (participates in β ladder)trans-115.2125.3171.9-174.80000108.2R56 I61V54-R56 PolarHBondContact O-N 2.89Å; V54-I61 HydrophobicContact CG2-CG1 4.21Å
55D93.6Very high95.8Very high43 Ų4364.2 Ų64.223%0.2332%0.319CS..  trans-77117.8166.91787.6000109.1V57 S58 E59 T60 F62D55-V57 VanDerWaalsContact C-N 3.29Å; D55-V57 PolarHBondContact O-N 2.78Å; D55-V57 PolarHBondContact OD1-N 2.81Å; D55-S58 WeakPolarHBondContact CB-OG 3.09Å; D55-S58 PolarHBondContact OD2-OG 2.88Å; D55-E59 CarbonylContact O-C 3.57Å; D55-E59 WeakPolarHBondContact O-CA 3.42Å; D55-E59 PolarHBondContact O-N 2.79Å; D55-T60 PolarHBondContact N-O 3.3Å; D55-T60 PolarHBondContact O-N 2.88Å; D55-F62 HydrophobicContact CB-CD2 4.48Å; D55-F62 HydrophobicContact CB-CE2 3.9Å
56R91.3Very high95.7Very high234 Ų23468.1 Ų68.188%0.88334%0.337SS*.THydrogen-bonded Turntrans-72.3-22.5-175.5-62.9-177.5-176.8165.42113.3V54V54-R56 PolarHBondContact O-N 2.89Å
57V91.5Very high95.7Very high139 Ų13968.8 Ų68.884%0.84235%0.35SS*.THydrogen-bonded Turntrans-82.4-45.4-177.5179.90000110.5D55D55-V57 VanDerWaalsContact C-N 3.29Å; D55-V57 PolarHBondContact O-N 2.78Å; D55-V57 PolarHBondContact OD1-N 2.81Å
58S91Very high95.6Very high57 Ų5770.8 Ų70.840%0.39936%0.359SS..THydrogen-bonded Turntrans-91.7-5179.862.10000113.7D55 T60D55-S58 WeakPolarHBondContact CB-OG 3.09Å; D55-S58 PolarHBondContact OD2-OG 2.88Å; S58-T60 PolarHBondContact O-N 2.87Å; S58-T60 PolarHBondContact O-OG1 2.84Å; S58-T60 VanDerWaalsContact OG-CB 3.32Å; S58-T60 WeakPolarHBondContact OG-CB 3.3Å; S58-T60 PolarHBondContact OG-N 2.64Å; S58-T60 PolarHBondContact OG-OG1 2.95Å
59E91.3Very high95.6Very high164 Ų16468.5 Ų68.577%0.76635%0.349SS*.  trans52.319.2-169.1-59.1-175169.400113.5D55D55-E59 CarbonylContact O-C 3.57Å; D55-E59 WeakPolarHBondContact O-CA 3.42Å; D55-E59 PolarHBondContact O-N 2.79Å
60T94.2Very high95.5Very high39 Ų3972.5 Ų72.524%0.23937%0.371CS..PPolyproline II helixtrans-81.1128.4-175.9-62.30000110.3D55 S58 F62D55-T60 PolarHBondContact N-O 3.3Å; D55-T60 PolarHBondContact O-N 2.88Å; S58-T60 PolarHBondContact O-N 2.87Å; S58-T60 PolarHBondContact O-OG1 2.84Å; S58-T60 VanDerWaalsContact OG-CB 3.32Å; S58-T60 WeakPolarHBondContact OG-CB 3.3Å; S58-T60 PolarHBondContact OG-N 2.64Å; S58-T60 PolarHBondContact OG-OG1 2.95Å; T60-F62 HydrophobicContact CG2-CD2 4.27Å; T60-F62 HydrophobicContact CG2-CE1 4.3Å; T60-F62 HydrophobicContact CG2-CE2 3.73Å; T60-F62 HydrophobicContact CG2-CZ 3.74Å
61I95.5Very high95.5Very high92 Ų9272.1 Ų72.147%0.47237%0.371SS..EExtended strand (participates in β ladder)trans-87.7122.5173.6-56.1175.7000108.8V54 D63 S232V54-I61 HydrophobicContact CG2-CG1 4.21Å; I61-D63 HydrophobicContact CG2-CB 4.44Å; I61-S232 WeakPolarHBondContact O-CA 3.23Å
62F97.3Very high95.4Very high9 Ų977.3 Ų77.34%0.03940%0.399CS..EExtended strand (participates in β ladder)trans-103120.7168.7-63.8-86.8000107.7K52 W53 D55 T60 A230 S239K52-F62 CarbonylContact C-O 3.5Å; K52-F62 WeakPolarHBondContact CA-O 3.45Å; W53-F62 AromaticContact CD1-CD2 3.67Å; W53-F62 HydrophobicContact CD2-CB 4.14Å; W53-F62 HydrophobicContact CG-CB 4.34Å; W53-F62 HydrophobicContact CZ2-CB 4.25Å; W53-F62 HydrophobicContact CZ2-CG 4.4Å; W53-F62 PolarHBondContact N-O 2.83Å; W53-F62 AromaticContact NE1-CD2 3.34Å; W53-F62 VanDerWaalsContact NE1-CD2 3.34Å; W53-F62 AromaticContact NE1-CG 3.62Å; W53-F62 PolarHBondContact O-N 2.9Å; W53-F62 VanDerWaalsContact O-O 3.04Å; D55-F62 HydrophobicContact CB-CD2 4.48Å; D55-F62 HydrophobicContact CB-CE2 3.9Å; T60-F62 HydrophobicContact CG2-CD2 4.27Å; T60-F62 HydrophobicContact CG2-CE1 4.3Å; T60-F62 HydrophobicContact CG2-CE2 3.73Å; T60-F62 HydrophobicContact CG2-CZ 3.74Å; F62-A230 HydrophobicContact CB-CB 3.77Å; F62-A230 HydrophobicContact CD1-CB 4.46Å; F62-S239 VanDerWaalsContact CZ-CB 3.47Å
63D96.4Very high95.3Very high41 Ų4175.1 Ų75.122%0.21939%0.394CS..EExtended strand (participates in β ladder)trans-150.8108.1178.3-163.9-12.4000106.8R50 T51 K52 I61 Q231R50-D63 IonicContact CZ-OD1 3.95Å; R50-D63 IonicContact CZ-OD2 3.17Å; R50-D63 IonicContact NE-OD1 2.8Å; R50-D63 PolarHBondContact NE-OD1 2.75Å; R50-D63 IonicContact NE-OD2 2.76Å; R50-D63 IonicContact NH2-OD1 3.45Å; R50-D63 PolarHBondContact NH2-OD1 3.46Å; R50-D63 VanDerWaalsContact NH2-OD1 3.08Å; R50-D63 IonicContact NH2-OD2 2.7Å; R50-D63 PolarHBondContact NH2-OD2 3.33Å; T51-D63 CarbonylContact O-C 3.53Å; T51-D63 WeakPolarHBondContact O-CA 3.38Å; K52-D63 HydrophobicContact CD-CB 4.43Å; K52-D63 WeakPolarHBondContact CD-OD2 3.28Å; K52-D63 WeakPolarHBondContact CE-OD2 3.47Å; K52-D63 HydrophobicContact CG-CB 4.13Å; K52-D63 IonicContact NZ-OD2 3.4Å; K52-D63 PolarHBondContact NZ-OD2 3.06Å; I61-D63 HydrophobicContact CG2-CB 4.44Å; D63-Q231 PolarHBondContact N-O 2.92Å
64T97Very high95.2Very high24 Ų2480 Ų8015%0.14742%0.418CS..EExtended strand (participates in β ladder)trans-130.3133.5-176.4-52.40000109.1R50 T51 A230 Q231 L283R50-T64 CarbonylContact C-O 3.55Å; R50-T64 VanDerWaalsContact CA-O 3.3Å; R50-T64 WeakPolarHBondContact CA-O 3.37Å; T51-T64 PolarHBondContact N-O 3.49Å; T51-T64 PolarHBondContact O-N 2.99Å; T64-A230 WeakPolarHBondContact OG1-CA 3.47Å; T64-Q231 PolarHBondContact OG1-N 3.36Å; T64-Q231 PolarHBondContact OG1-O 2.88Å; T64-L283 HydrophobicContact CG2-CD1 3.74Å; T64-L283 HydrophobicContact CG2-CD2 3.74Å; T64-L283 HydrophobicContact CG2-CG 4.4Å; T64-L283 WeakPolarHBondContact O-CD1 3.38Å
65V96.6Very high94.9Very high73 Ų7377.1 Ų77.144%0.44240%0.399SS..EExtended strand (participates in β ladder)trans-120.3129176.6-179.20000107.7E48 M49 R50E48-V65 HydrophobicContact CB-CG1 4.32Å; M49-V65 CarbonylContact O-C 3.49Å; M49-V65 WeakPolarHBondContact O-CA 3.34Å; R50-V65 HydrophobicContact CB-CG2 4.19Å; R50-V65 HydrophobicContact CG-CG2 3.78Å
66E95.7Very high94.4Very high81 Ų8177.7 Ų77.738%0.37942%0.415SS..EExtended strand (participates in β ladder)trans-119.4114.6174.4-176.2178.4174.800108.7E48 M49 L283E48-E66 WeakPolarHBondContact CA-O 3.11Å; M49-E66 HydrophobicContact CB-CB 4.47Å; M49-E66 PolarHBondContact N-O 2.85Å; M49-E66 PolarHBondContact O-N 3.21Å; E66-L283 HydrophobicContact CB-CD1 3.57Å; E66-L283 HydrophobicContact CB-CG 3.77Å; E66-L283 WeakPolarHBondContact OE2-CG 3.29Å; E66-L283 PolarHBondContact OE2-N 3.43Å
67P96.7Very high93.7Very high100 Ų10067.7 Ų67.765%0.64938%0.379SS*.EExtended strand (participates in β ladder)trans-70.213217429.4-32.7000110
68I96.8Very high92.7Very high45 Ų4568.7 Ų68.723%0.23138%0.38CS..EExtended strand (participates in β ladder)trans-96.3-51.5179.7-52.2169.3000109.7G47 M49 L103 P104 I114G47-I68 WeakPolarHBondContact O-CB 3.28Å; G47-I68 PolarHBondContact O-N 2.93Å; M49-I68 HydrophobicContact CE-CD1 4.12Å; M49-I68 HydrophobicContact CE-CG1 4.43Å; M49-I68 HydrophobicContact CG-CD1 3.62Å; M49-I68 HydrophobicContact CG-CG1 3.94Å; I68-L103 HydrophobicContact CG2-CD2 3.79Å; I68-P104 HydrophobicContact CD1-CG 3.82Å; I68-P104 HydrophobicContact CG2-CG 4.26Å; I68-I114 HydrophobicContact CD1-CG2 3.76Å
69I97.2Very high91.2Very high13 Ų1370.2 Ų70.27%0.06738%0.383CS..EExtended strand (participates in β ladder)trans-140.9150.7176.459.4176.5000109.6V45 K46 G47 F71 L99 P100 L103 Y116V45-I69 HydrophobicContact CG1-CD1 3.94Å; K46-I69 CarbonylContact C-O 3.6Å; K46-I69 VanDerWaalsContact CA-O 3.31Å; K46-I69 WeakPolarHBondContact CA-O 3.18Å; G47-I69 PolarHBondContact N-O 3.05Å; G47-I69 PolarHBondContact O-N 3.3Å; I69-F71 HydrophobicContact CB-CD2 4.26Å; I69-F71 HydrophobicContact CB-CE2 3.77Å; I69-F71 HydrophobicContact CB-CZ 3.93Å; I69-F71 HydrophobicContact CD1-CD2 4.23Å; I69-F71 HydrophobicContact CD1-CE2 3.94Å; I69-F71 HydrophobicContact CG1-CE2 4.4Å; I69-F71 HydrophobicContact CG2-CE2 3.77Å; I69-F71 HydrophobicContact CG2-CZ 3.69Å; I69-L99 HydrophobicContact CD1-CD2 4.25Å; I69-P100 HydrophobicContact CG2-CG 4.42Å; I69-L103 HydrophobicContact CD1-CD1 4.14Å; I69-L103 HydrophobicContact CG2-CD2 3.63Å; I69-Y116 HydrophobicContact CD1-CD1 3.96Å; I69-Y116 HydrophobicContact CD1-CE1 3.95Å; I69-Y116 HydrophobicContact CG1-CD1 4.28Å; I69-Y116 HydrophobicContact CG1-CE1 4.15Å
70N97.1Very high89.6Confident99 Ų9965.9 Ų65.953%0.52937%0.365SS..EExtended strand (participates in β ladder)trans-15280.8171.8-176.313000108.1V45V45-N70 WeakPolarHBondContact O-CA 3.36Å
71F97.4Very high88.1Confident68 Ų6867.1 Ų67.130%0.29837%0.37SS..EExtended strand (participates in β ladder)trans-93.8145.5175.8-52.6-47.6000109.2A44 V45 I69 F97 P100A44-F71 CarbonylContact C-O 3.59Å; A44-F71 WeakPolarHBondContact CA-O 3.48Å; A44-F71 WeakPolarHBondContact CB-O 3.5Å; V45-F71 PolarHBondContact N-O 3.19Å; V45-F71 PolarHBondContact O-N 2.81Å; I69-F71 HydrophobicContact CB-CD2 4.26Å; I69-F71 HydrophobicContact CB-CE2 3.77Å; I69-F71 HydrophobicContact CB-CZ 3.93Å; I69-F71 HydrophobicContact CD1-CD2 4.23Å; I69-F71 HydrophobicContact CD1-CE2 3.94Å; I69-F71 HydrophobicContact CG1-CE2 4.4Å; I69-F71 HydrophobicContact CG2-CE2 3.77Å; I69-F71 HydrophobicContact CG2-CZ 3.69Å; F71-F97 HydrophobicContact CB-CD1 3.54Å; F71-F97 HydrophobicContact CB-CE1 3.69Å; F71-F97 HydrophobicContact CG-CD1 4.42Å; F71-P100 HydrophobicContact CE2-CG 4.18Å; F71-P100 HydrophobicContact CZ-CG 3.78Å
72N96.4Very high86.5Confident110 Ų11072.5 Ų72.559%0.58839%0.393SS*.EExtended strand (participates in β ladder)trans-139.6155.1171.858.155.5000110.4V42 V43 A44V42-N72 HydrophobicContact CG1-CB 3.99Å; V43-N72 CarbonylContact O-C 3.59Å; V43-N72 VanDerWaalsContact O-CA 3.3Å; V43-N72 WeakPolarHBondContact O-CA 3.23Å; A44-N72 HydrophobicContact CB-CB 4.02Å
73T95.8Very high85Confident53 Ų5378.2 Ų78.233%0.32542%0.424SS..EExtended strand (participates in β ladder)trans-143.1136.4173.3-164.50000108.3V42 V43 I75 F95 F97V42-T73 WeakPolarHBondContact CA-O 3.18Å; V43-T73 HydrophobicContact CB-CG2 4.35Å; V43-T73 PolarHBondContact N-O 3.27Å; V43-T73 PolarHBondContact O-N 2.86Å; T73-I75 HydrophobicContact CG2-CD1 3.89Å; T73-F95 HydrophobicContact CG2-CB 4.47Å; T73-F97 HydrophobicContact CG2-CE1 4.29Å; T73-F97 HydrophobicContact CG2-CE2 4.22Å; T73-F97 HydrophobicContact CG2-CZ 3.64Å
74E94.1Very high83.8Confident119 Ų11980.9 Ų80.956%0.55644%0.435SS*.EExtended strand (participates in β ladder)trans-85.1130.8172.7-170.8169.2157.300109.1Q40 L41Q40-E74 HydrophobicContact CG-CG 4.06Å; Q40-E74 PolarHBondContact NE2-OE2 2.92Å; L41-E74 CarbonylContact O-C 3.59Å; L41-E74 WeakPolarHBondContact O-CA 3.4Å
75I90.4Very high83Confident17 Ų1782.1 Ų82.19%0.08744%0.441CS..  trans-93.7113.3-179-56.8-60.6000108.3L41 V43 T73 L93 F95L41-I75 HydrophobicContact CB-CB 4.1Å; L41-I75 PolarHBondContact O-N 2.85Å; V43-I75 HydrophobicContact CG2-CD1 4.19Å; V43-I75 HydrophobicContact CG2-CG1 3.78Å; T73-I75 HydrophobicContact CG2-CD1 3.89Å; I75-L93 HydrophobicContact CG2-CB 3.67Å; I75-L93 HydrophobicContact CG2-CD1 3.71Å; I75-L93 HydrophobicContact CG2-CG 4.19Å; I75-F95 HydrophobicContact CD1-CB 3.86Å
76G83.6Confident82.5Confident54 Ų5478.7 Ų78.756%0.55742%0.42SS*.  trans-60.2135.5171.500000111.3
77L76.2Confident82.1Confident24 Ų2481.5 Ų81.513%0.12643%0.427CS..  trans-100.990.5172.8-75.4161.2000107.9I38 L41 N79 L80 V86 L93I38-L77 HydrophobicContact CB-CD1 4.32Å; I38-L77 HydrophobicContact CG2-CD1 4.27Å; L41-L77 HydrophobicContact CD1-CD1 3.87Å; L41-L77 HydrophobicContact CD1-CD2 3.56Å; L41-L77 HydrophobicContact CD1-CG 3.81Å; L41-L77 HydrophobicContact CG-CD1 4.08Å; L41-L77 HydrophobicContact CG-CG 4.46Å; L77-N79 PolarHBondContact O-N 2.77Å; L77-L80 HydrophobicContact CB-CD1 3.81Å; L77-L80 HydrophobicContact CB-CD2 4.03Å; L77-L80 HydrophobicContact CB-CG 3.59Å; L77-L80 HydrophobicContact CD1-CD2 4.1Å; L77-L80 VanDerWaalsContact O-CG 3.32Å; L77-L80 WeakPolarHBondContact O-CG 3.35Å; L77-L80 PolarHBondContact O-N 2.93Å; L77-V86 HydrophobicContact CD1-CG2 3.55Å; L77-V86 HydrophobicContact CD2-CG1 4.31Å; L77-V86 HydrophobicContact CD2-CG2 4.07Å; L77-V86 HydrophobicContact CG-CG2 4.31Å; L77-L93 HydrophobicContact CD2-CD1 4.03Å
78D69.2Low81.7Confident160 Ų16079.8 Ų79.886%0.85642%0.418SS*.THydrogen-bonded Turntrans-60.4-12.1-178.3-64.7-24.4000113.7
79N59.8Low81.4Confident89 Ų8979 Ų7948%0.47642%0.42SS..THydrogen-bonded Turntrans-10824.7-177.8-59.1-67.1000113.6L77 Y91L77-N79 PolarHBondContact O-N 2.77Å; N79-Y91 HydrophobicContact CB-CE1 4.38Å
80L58Low81.1Confident74 Ų7484.8 Ų84.839%0.38745%0.451SS..BIsolated β-bridgetrans-71.6128.1171.8-69.2166.9000109.9L77 V86L77-L80 HydrophobicContact CB-CD1 3.81Å; L77-L80 HydrophobicContact CB-CD2 4.03Å; L77-L80 HydrophobicContact CB-CG 3.59Å; L77-L80 HydrophobicContact CD1-CD2 4.1Å; L77-L80 VanDerWaalsContact O-CG 3.32Å; L77-L80 WeakPolarHBondContact O-CG 3.35Å; L77-L80 PolarHBondContact O-N 2.93Å; L80-V86 HydrophobicContact CD2-CG2 3.83Å
81D62.8Low80.9Confident64 Ų6481.7 Ų81.734%0.34243%0.432SS..  trans-73.9173.2164.1-71.6-40.7000110.4D83 E84 R87D81-D83 PolarHBondContact O-N 3.03Å; D81-E84 PolarHBondContact O-N 3.26Å; D81-R87 IonicContact OD1-CZ 3.4Å; D81-R87 IonicContact OD1-NE 3.31Å; D81-R87 PolarHBondContact OD1-NE 2.91Å; D81-R87 IonicContact OD1-NH2 2.71Å; D81-R87 PolarHBondContact OD1-NH2 2.79Å; D81-R87 IonicContact OD2-CZ 3.5Å; D81-R87 IonicContact OD2-NE 2.86Å; D81-R87 PolarHBondContact OD2-NE 2.74Å; D81-R87 IonicContact OD2-NH2 3.29Å; D81-R87 PolarHBondContact OD2-NH2 2.8Å
82E61.2Low80.7Confident205 Ų20581 Ų8196%0.95844%0.439SS*.THydrogen-bonded Turntrans-52.7-23.5178.8-68.7-178.6169.100113.6
83D66.8Low80.6Confident129 Ų12976.9 Ų76.969%0.6942%0.417SS*.THydrogen-bonded Turntrans-96.414.1-178-65.4-41.2000114.6D81 I85D81-D83 PolarHBondContact O-N 3.03Å; D83-I85 HydrophobicContact CB-CD1 3.92Å; D83-I85 HydrophobicContact CB-CG1 3.93Å; D83-I85 WeakPolarHBondContact O-CG1 3.44Å; D83-I85 PolarHBondContact O-N 2.6Å
84E71.1Confident80.6Confident97 Ų9779.1 Ų79.145%0.45343%0.433SS..  trans58.529.3-176.3-60.5-179.1177.500114H39 D81H39-E84 IonicContact ND1-OE2 2.94Å; D81-E84 PolarHBondContact O-N 3.26Å
85I81.1Confident80.7Confident50 Ų5074 Ų7426%0.25641%0.409SS..EExtended strand (participates in β ladder)trans-95.9123.6179.8-56.5178.9000109.5P35 P37 D83P35-I85 HydrophobicContact CB-CG2 3.62Å; P37-I85 HydrophobicContact CG-CG1 4.35Å; D83-I85 HydrophobicContact CB-CD1 3.92Å; D83-I85 HydrophobicContact CB-CG1 3.93Å; D83-I85 WeakPolarHBondContact O-CG1 3.44Å; D83-I85 PolarHBondContact O-N 2.6Å
86V84.4Confident81Confident2 Ų279.4 Ų79.41%0.01243%0.433CS..EExtended strand (participates in β ladder)trans-82.3124.3170.2-171.40000108.7L32 P35 L36 I38 L77 L80 Y91L32-V86 HydrophobicContact CD1-CB 3.87Å; L32-V86 HydrophobicContact CD1-CG1 3.56Å; P35-V86 CarbonylContact C-O 3.59Å; P35-V86 WeakPolarHBondContact CA-O 3.26Å; L36-V86 PolarHBondContact N-O 2.81Å; L36-V86 PolarHBondContact O-N 2.88Å; I38-V86 HydrophobicContact CB-CG2 3.94Å; I38-V86 HydrophobicContact CD1-CB 4.32Å; I38-V86 HydrophobicContact CD1-CG2 3.96Å; I38-V86 HydrophobicContact CG1-CG2 4.05Å; L77-V86 HydrophobicContact CD1-CG2 3.55Å; L77-V86 HydrophobicContact CD2-CG1 4.31Å; L77-V86 HydrophobicContact CD2-CG2 4.07Å; L77-V86 HydrophobicContact CG-CG2 4.31Å; L80-V86 HydrophobicContact CD2-CG2 3.83Å; V86-Y91 HydrophobicContact CG1-CE2 3.97Å
87R87.3Confident81.7Confident140 Ų14077.5 Ų77.553%0.52841%0.41SS..PPolyproline II helixtrans-65.8160.9-180-63.3-174.3177.3-167.35.4112L32 D81 Y91L32-R87 WeakPolarHBondContact CD1-O 3.38Å; D81-R87 IonicContact OD1-CZ 3.4Å; D81-R87 IonicContact OD1-NE 3.31Å; D81-R87 PolarHBondContact OD1-NE 2.91Å; D81-R87 IonicContact OD1-NH2 2.71Å; D81-R87 PolarHBondContact OD1-NH2 2.79Å; D81-R87 IonicContact OD2-CZ 3.5Å; D81-R87 IonicContact OD2-NE 2.86Å; D81-R87 PolarHBondContact OD2-NE 2.74Å; D81-R87 IonicContact OD2-NH2 3.29Å; D81-R87 PolarHBondContact OD2-NH2 2.8Å; R87-Y91 WeakPolarHBondContact O-CE2 3.32Å; R87-Y91 PolarHBondContact O-OH 2.84Å
88S88.7Confident82.7Confident64 Ų6481.9 Ų81.945%0.44843%0.433SS..SBendtrans-65.1145.9169.651.90000110.5L32L32-S88 WeakPolarHBondContact O-CA 3.31Å; L32-S88 WeakPolarHBondContact O-CB 3.35Å
89G90.4Very high84.1Confident27 Ų2774.7 Ų74.728%0.27840%0.395SS..EExtended strand (participates in β ladder)trans152.9-179.2-175.300000113.2S31 L32S31-G89 WeakPolarHBondContact CA-O 3.3Å; L32-G89 PolarHBondContact N-O 3Å; L32-G89 PolarHBondContact O-N 2.99Å
90N91.8Very high85.8Confident135 Ų13573 Ų7372%0.72239%0.388SS*.EExtended strand (participates in β ladder)trans-112.3124.7174.3-62.4-41.3000108.6V30 S31V30-N90 CarbonylContact O-C 3.45Å; V30-N90 WeakPolarHBondContact O-CA 3.44Å; S31-N90 VanDerWaalsContact CB-OD1 3.26Å; S31-N90 WeakPolarHBondContact CB-OD1 3.32Å; S31-N90 PolarHBondContact OG-OD1 2.86Å
91Y91.9Very high87.5Confident34 Ų3474.1 Ų74.113%0.13340%0.399CS..EExtended strand (participates in β ladder)trans-120139.3-178.3-54.4-87.8000109.2M29 V30 L32 N79 V86 R87M29-Y91 WeakPolarHBondContact CA-O 3.46Å; V30-Y91 HydrophobicContact CB-CD2 4.47Å; V30-Y91 PolarHBondContact N-O 2.85Å; V30-Y91 PolarHBondContact O-N 3.33Å; L32-Y91 HydrophobicContact CD1-CE2 4.3Å; N79-Y91 HydrophobicContact CB-CE1 4.38Å; V86-Y91 HydrophobicContact CG1-CE2 3.97Å; R87-Y91 WeakPolarHBondContact O-CE2 3.32Å; R87-Y91 PolarHBondContact O-OH 2.84Å
92A93.9Very high88.8Confident53 Ų5374.1 Ų74.144%0.43840%0.396SS..EExtended strand (participates in β ladder)trans-125.689.9171.500000107.2M29 P94M29-A92 HydrophobicContact CE-CB 4.25Å; M29-A92 HydrophobicContact SD-CB 3.7Å; A92-P94 WeakPolarHBondContact O-CD 3.47Å
93L94.3Very high90.4Very high25 Ų2564.8 Ų64.813%0.13135%0.353CS..EExtended strand (participates in β ladder)trans-90.2112.4-171.3-54.3171000109R27 L28 L41 I75 L77R27-L93 CarbonylContact C-O 3.48Å; R27-L93 WeakPolarHBondContact CA-O 3.19Å; L28-L93 HydrophobicContact CB-CB 4.35Å; L28-L93 PolarHBondContact N-O 2.89Å; L28-L93 PolarHBondContact O-N 2.82Å; L41-L93 HydrophobicContact CD1-CD1 3.7Å; I75-L93 HydrophobicContact CG2-CB 3.67Å; I75-L93 HydrophobicContact CG2-CD1 3.71Å; I75-L93 HydrophobicContact CG2-CG 4.19Å; L77-L93 HydrophobicContact CD2-CD1 4.03Å
94P95.8Very high91.8Very high100 Ų10059.7 Ų59.765%0.64933%0.327SS*.EExtended strand (participates in β ladder)trans-71.7148.3-175.630.7-35000111.3G26 A92G26-P94 CarbonylContact O-C 3.51Å; G26-P94 WeakPolarHBondContact O-CA 3.3Å; A92-P94 WeakPolarHBondContact O-CD 3.47Å
95F96.2Very high93Very high12 Ų1255.7 Ų55.75%0.05331%0.31CS..EExtended strand (participates in β ladder)trans-143159.9171.663.1-100.7000110.6I9 L11 G26 R27 L28 V43 T73 I75 F97I9-F95 HydrophobicContact CG2-CE1 4.18Å; I9-F95 HydrophobicContact CG2-CZ 3.79Å; L11-F95 HydrophobicContact CD2-CE2 3.98Å; L11-F95 HydrophobicContact CD2-CZ 3.73Å; G26-F95 PolarHBondContact N-O 2.91Å; G26-F95 VanDerWaalsContact N-O 3.1Å; G26-F95 PolarHBondContact O-N 2.73Å; R27-F95 VanDerWaalsContact C-CE1 3.5Å; L28-F95 HydrophobicContact CB-CD1 4.47Å; V43-F95 HydrophobicContact CB-CD1 4.42Å; V43-F95 HydrophobicContact CB-CG 4.4Å; V43-F95 HydrophobicContact CG1-CD1 4.03Å; V43-F95 HydrophobicContact CG1-CD2 3.99Å; V43-F95 HydrophobicContact CG1-CE1 4.06Å; V43-F95 HydrophobicContact CG1-CE2 4.05Å; V43-F95 HydrophobicContact CG1-CG 3.98Å; V43-F95 HydrophobicContact CG1-CZ 4.07Å; V43-F95 HydrophobicContact CG2-CD1 3.98Å; V43-F95 HydrophobicContact CG2-CE1 4.39Å; V43-F95 HydrophobicContact CG2-CG 4.4Å; T73-F95 HydrophobicContact CG2-CB 4.47Å; I75-F95 HydrophobicContact CD1-CB 3.86Å; F95-F97 HydrophobicContact CD2-CD2 4.04Å; F95-F97 AromaticContact CD2-CE2 3.83Å; F95-F97 HydrophobicContact CD2-CE2 3.83Å; F95-F97 HydrophobicContact CE2-CE2 4.42Å
96Q97Very high93.7Very high129 Ų12954.1 Ų54.160%0.60330%0.304SS*.EExtended strand (participates in β ladder)trans-147.8149.3175.665.7178.844.600112.3V23 L24 T25V23-Q96 HydrophobicContact CG1-CB 4.05Å; L24-Q96 CarbonylContact O-C 3.57Å; L24-Q96 VanDerWaalsContact O-CA 3.23Å; L24-Q96 WeakPolarHBondContact O-CA 3.39Å; T25-Q96 HydrophobicContact CG2-CB 4Å
97F97.9Very high94.3Very high14 Ų1455.1 Ų55.16%0.06131%0.308CS..EExtended strand (participates in β ladder)trans-135.2127.5174.6-68.3-86.5000110.5V23 L24 V43 V45 F71 T73 F95 L99V23-F97 CarbonylContact C-O 3.38Å; V23-F97 WeakPolarHBondContact CA-O 3.48Å; L24-F97 PolarHBondContact N-O 3.38Å; L24-F97 PolarHBondContact O-N 3.43Å; V43-F97 HydrophobicContact CB-CE2 4.48Å; V43-F97 HydrophobicContact CG1-CE2 3.9Å; V43-F97 HydrophobicContact CG1-CZ 4.33Å; V43-F97 WeakPolarHBondContact O-CZ 3.34Å; V45-F97 HydrophobicContact CB-CD2 4.34Å; V45-F97 HydrophobicContact CB-CG 4.27Å; V45-F97 HydrophobicContact CG2-CB 4.28Å; V45-F97 HydrophobicContact CG2-CD1 4.31Å; V45-F97 HydrophobicContact CG2-CD2 3.34Å; V45-F97 HydrophobicContact CG2-CE2 3.63Å; V45-F97 HydrophobicContact CG2-CG 3.71Å; V45-F97 HydrophobicContact CG2-CZ 4.21Å; F71-F97 HydrophobicContact CB-CD1 3.54Å; F71-F97 HydrophobicContact CB-CE1 3.69Å; F71-F97 HydrophobicContact CG-CD1 4.42Å; T73-F97 HydrophobicContact CG2-CE1 4.29Å; T73-F97 HydrophobicContact CG2-CE2 4.22Å; T73-F97 HydrophobicContact CG2-CZ 3.64Å; F95-F97 HydrophobicContact CD2-CD2 4.04Å; F95-F97 AromaticContact CD2-CE2 3.83Å; F95-F97 HydrophobicContact CD2-CE2 3.83Å; F95-F97 HydrophobicContact CE2-CE2 4.42Å; F97-L99 PolarHBondContact O-N 2.82Å
98N97.7Very high94.7Very high116 Ų11653 Ų5362%0.6231%0.314SS*.EExtended strand (participates in β ladder)trans-78.5107.8171.6-64.9-28.8000108.7V23V23-N98 WeakPolarHBondContact CG2-OD1 3.26Å
99L97.5Very high95.1Very high9 Ų951.5 Ų51.55%0.04731%0.306CS..PPolyproline II helixtrans-78132.9179-59.1-178.9000110V18 G21 T22 L24 V45 I69 F97 L103 L149V18-L99 HydrophobicContact CG1-CD1 3.55Å; G21-L99 CarbonylContact C-O 3.5Å; G21-L99 VanDerWaalsContact CA-O 3.23Å; G21-L99 WeakPolarHBondContact CA-O 3.33Å; T22-L99 VanDerWaalsContact O-CB 3.28Å; T22-L99 WeakPolarHBondContact O-CB 3.49Å; T22-L99 PolarHBondContact O-N 3.47Å; L24-L99 HydrophobicContact CB-CD1 4.13Å; L24-L99 HydrophobicContact CB-CD2 4.42Å; L24-L99 HydrophobicContact CB-CG 4.19Å; V45-L99 HydrophobicContact CG1-CD2 4.29Å; I69-L99 HydrophobicContact CD1-CD2 4.25Å; F97-L99 PolarHBondContact O-N 2.82Å; L99-L103 HydrophobicContact CB-CD1 4.04Å; L99-L149 HydrophobicContact CD1-CD1 3.94Å
100P96Very high95.4Very high53 Ų5357.7 Ų57.734%0.34433%0.327SS..PPolyproline II helixtrans-55.3152.5171.9-27.133.1000113G21 I69 F71 L103G21-P100 PolarHBondContact N-O 3.35Å; I69-P100 HydrophobicContact CG2-CG 4.42Å; F71-P100 HydrophobicContact CE2-CG 4.18Å; F71-P100 HydrophobicContact CZ-CG 3.78Å; P100-L103 HydrophobicContact CB-CD2 4.35Å; P100-L103 HydrophobicContact CB-CG 4.25Å; P100-L103 HydrophobicContact CG-CD2 4.49Å
101T92.8Very high95.7Very high99 Ų9952.7 Ų52.761%0.60730%0.299SS*.THydrogen-bonded Turntrans-66.9153.3165.452.90000110.5L103T101-L103 VanDerWaalsContact C-N 3.29Å; T101-L103 PolarHBondContact O-N 2.8Å
102H90.1Very high96Very high63 Ų6351.5 Ų51.529%0.29230%0.298SS..THydrogen-bonded Turntrans61.133.1175.6-50.9-57.5000114.6D151 D157H102-D151 VanDerWaalsContact CA-OD1 3.28Å; H102-D151 WeakPolarHBondContact CA-OD1 3.41Å; H102-D157 IonicContact CE1-OD2 3.76Å
103L95.3Very high96.2Very high9 Ų951.5 Ų51.55%0.04729%0.288CS..PPolyproline II helixtrans-71.8131.9166.3-73.8177.4000109A20 I68 I69 L99 P100 T101 Y116 L149 D151A20-L103 HydrophobicContact CB-CB 3.98Å; I68-L103 HydrophobicContact CG2-CD2 3.79Å; I69-L103 HydrophobicContact CD1-CD1 4.14Å; I69-L103 HydrophobicContact CG2-CD2 3.63Å; L99-L103 HydrophobicContact CB-CD1 4.04Å; P100-L103 HydrophobicContact CB-CD2 4.35Å; P100-L103 HydrophobicContact CB-CG 4.25Å; P100-L103 HydrophobicContact CG-CD2 4.49Å; T101-L103 VanDerWaalsContact C-N 3.29Å; T101-L103 PolarHBondContact O-N 2.8Å; L103-Y116 HydrophobicContact CD1-CE1 4.39Å; L103-L149 HydrophobicContact CB-CD1 4.15Å; L103-L149 HydrophobicContact CB-CD2 3.53Å; L103-L149 HydrophobicContact CB-CG 4.48Å; L103-L149 HydrophobicContact CD1-CD1 3.64Å; L103-L149 WeakPolarHBondContact O-CD2 3.39Å; L103-D151 WeakPolarHBondContact O-CB 3.38Å
104P95.9Very high96.4Very high23 Ų2350.6 Ų50.615%0.14928%0.283CS..PPolyproline II helixtrans-63.2139.4-177.927.6-36.6000111.2M49 I68 I114 Y116 L149M49-P104 HydrophobicContact CE-CB 3.84Å; M49-P104 HydrophobicContact CE-CG 3.41Å; M49-P104 VanDerWaalsContact CE-CG 3.41Å; I68-P104 HydrophobicContact CD1-CG 3.82Å; I68-P104 HydrophobicContact CG2-CG 4.26Å; P104-I114 HydrophobicContact CB-CD1 4.07Å; P104-I114 HydrophobicContact CB-CG2 4.48Å; P104-I114 HydrophobicContact CG-CG2 4.21Å; P104-Y116 VanDerWaalsContact CD-OH 3.27Å; P104-Y116 WeakPolarHBondContact CD-OH 3.27Å; P104-Y116 WeakPolarHBondContact CG-OH 3.41Å; P104-Y116 WeakPolarHBondContact O-CE2 3.26Å; P104-Y116 PolarHBondContact O-OH 2.76Å; P104-L149 VanDerWaalsContact O-CD2 3.26Å; P104-L149 WeakPolarHBondContact O-CD2 3.41Å
105S96.3Very high96.5Very high12 Ų1250.5 Ų50.58%0.08427%0.27CS..PPolyproline II helixtrans-61144-179.7-61.30000111.6F107 L149 D151S105-F107 PolarHBondContact O-N 2.78Å; S105-L149 CarbonylContact C-O 3.53Å; S105-L149 WeakPolarHBondContact CA-O 3.4Å; S105-D151 WeakPolarHBondContact OG-CB 3.36Å; S105-D151 PolarHBondContact OG-N 2.96Å
106S96.7Very high96.6Very high18 Ų1850 Ų5013%0.12627%0.267CS..PPolyproline II helixtrans-52131.2167.5-69.30000110.4I114 L149S106-I114 WeakPolarHBondContact CA-O 3.28Å; S106-L149 PolarHBondContact N-O 3.45Å; S106-L149 PolarHBondContact OG-N 3.46Å
107F96.7Very high96.6Very high22 Ų2244.6 Ų44.610%0.09624%0.242CC..EExtended strand (participates in β ladder)trans-149.7147.7-173.5-178.1-98.8000109.8S105 A109 F113 I114 A226 F228 I284 V286S105-F107 PolarHBondContact O-N 2.78Å; F107-A109 HydrophobicContact CE1-CB 3.6Å; F107-A109 HydrophobicContact CZ-CB 3.82Å; F107-F113 CarbonylContact O-C 3.55Å; F107-F113 WeakPolarHBondContact O-CA 3.5Å; F107-F113 WeakPolarHBondContact O-CB 3.29Å; F107-I114 HydrophobicContact CB-CB 4.28Å; F107-I114 HydrophobicContact CB-CD1 4.18Å; F107-I114 HydrophobicContact CB-CG1 4.15Å; F107-I114 PolarHBondContact N-O 2.93Å; F107-I114 VanDerWaalsContact N-O 3.15Å; F107-I114 PolarHBondContact O-N 2.94Å; F107-A226 HydrophobicContact CE1-CB 3.71Å; F107-A226 HydrophobicContact CE2-CB 4.46Å; F107-A226 HydrophobicContact CZ-CB 3.46Å; F107-A226 VanDerWaalsContact CZ-CB 3.46Å; F107-F228 AromaticContact CE1-CE1 3.98Å; F107-F228 HydrophobicContact CE1-CE1 3.98Å; F107-F228 AromaticContact CE1-CZ 3.83Å; F107-F228 HydrophobicContact CE1-CZ 3.83Å; F107-I284 HydrophobicContact CD1-CG2 3.82Å; F107-I284 HydrophobicContact CE1-CG2 4.14Å; F107-V286 HydrophobicContact CD1-CG2 4.5Å; F107-V286 HydrophobicContact CD2-CG2 3.92Å; F107-V286 HydrophobicContact CE2-CG2 4.02Å; F107-V286 HydrophobicContact CG-CG2 4.17Å; F107-V286 HydrophobicContact CZ-CG2 4.35Å
108S96.9Very high96.6Very high95 Ų9543.9 Ų43.966%0.66424%0.24SC*.EExtended strand (participates in β ladder)trans-151132.7175.3-173.30000110.1
109A96.8Very high96.6Very high33 Ų3338.8 Ų38.827%0.27321%0.213SC..EExtended strand (participates in β ladder)trans-150.2-175.117700000110.1F107 F111 G112 F228F107-A109 HydrophobicContact CE1-CB 3.6Å; F107-A109 HydrophobicContact CZ-CB 3.82Å; A109-F111 VanDerWaalsContact C-N 3.28Å; A109-F111 PolarHBondContact O-N 2.94Å; A109-G112 PolarHBondContact N-O 2.93Å; A109-G112 PolarHBondContact O-N 2.87Å; A109-G112 VanDerWaalsContact O-O 3.14Å; A109-F228 HydrophobicContact CB-CE1 4.12Å; A109-F228 HydrophobicContact CB-CZ 3.58Å
110E96.5Very high96.6Very high157 Ų15738.4 Ų38.473%0.73421%0.21SC*.THydrogen-bonded Turntrans-55.1-39.2-174.3-173.5178.6171.600113.8T243E110-T243 HydrophobicContact CB-CG2 4.43Å
111F97.9Very high96.6Very high31 Ų3137 Ų3714%0.13620%0.201CC..THydrogen-bonded Turntrans-103.33.6-171.6-57.5-52.7000114.5T51 K52 W53 A109 F228 R241 T243T51-F111 CarbonylContact C-O 3.51Å; T51-F111 VanDerWaalsContact CA-O 3.26Å; T51-F111 WeakPolarHBondContact CA-O 3.31Å; K52-F111 PolarHBondContact N-O 3.02Å; W53-F111 HydrophobicContact CB-CD1 4.04Å; W53-F111 HydrophobicContact CE3-CB 3.86Å; W53-F111 HydrophobicContact CE3-CD1 4.4Å; W53-F111 HydrophobicContact CE3-CG 4.35Å; W53-F111 HydrophobicContact CZ3-CB 4.18Å; A109-F111 VanDerWaalsContact C-N 3.28Å; A109-F111 PolarHBondContact O-N 2.94Å; F111-F228 HydrophobicContact CB-CB 4.17Å; F111-F228 HydrophobicContact CB-CD1 3.97Å; F111-F228 HydrophobicContact CB-CD2 3.88Å; F111-F228 HydrophobicContact CB-CE1 4.38Å; F111-F228 HydrophobicContact CB-CE2 4.31Å; F111-F228 HydrophobicContact CB-CG 3.73Å; F111-F228 AromaticContact CD2-CD2 3.98Å; F111-F228 HydrophobicContact CD2-CD2 3.98Å; F111-F228 HydrophobicContact CD2-CE2 4.17Å; F111-F228 HydrophobicContact CG-CD2 4.44Å; F111-R241 HydrophobicContact CB-CB 4.36Å; F111-R241 HydrophobicContact CD1-CB 4.46Å; F111-R241 HydrophobicContact CD1-CG 4.28Å; F111-R241 HydrophobicContact CD2-CB 3.43Å; F111-R241 VanDerWaalsContact CD2-CB 3.43Å; F111-R241 HydrophobicContact CD2-CG 4.08Å; F111-R241 HydrophobicContact CE1-CG 4.42Å; F111-R241 HydrophobicContact CE2-CB 3.77Å; F111-R241 HydrophobicContact CE2-CG 4.22Å; F111-R241 HydrophobicContact CG-CB 3.83Å; F111-R241 HydrophobicContact CG-CG 4.13Å; F111-R241 HydrophobicContact CZ-CB 4.43Å; F111-R241 HydrophobicContact CZ-CG 4.39Å; F111-T243 HydrophobicContact CD2-CG2 3.59Å; F111-T243 HydrophobicContact CE2-CG2 3.62Å
112G98.1Very high96.5Very high9 Ų932.2 Ų32.29%0.09317%0.172CC..EExtended strand (participates in β ladder)trans165.5176.2-179.400000115.5R50 A109R50-G112 CarbonylContact O-C 3.57Å; R50-G112 WeakPolarHBondContact O-CA 3.49Å; A109-G112 PolarHBondContact N-O 2.93Å; A109-G112 PolarHBondContact O-N 2.87Å; A109-G112 VanDerWaalsContact O-O 3.14Å
113F98.3Very high96.5Very high53 Ų5331 Ų3123%0.23217%0.168CC..EExtended strand (participates in β ladder)trans-145.7159.4179.463.5-100.9000112.8E48 M49 R50 F107 R115 I284E48-F113 HydrophobicContact CG-CE2 4.17Å; E48-F113 WeakPolarHBondContact OE1-CE2 3.48Å; M49-F113 CarbonylContact C-O 3.56Å; M49-F113 WeakPolarHBondContact CA-O 3.39Å; R50-F113 HydrophobicContact CB-CD1 4.4Å; R50-F113 HydrophobicContact CB-CD2 4.46Å; R50-F113 HydrophobicContact CB-CE1 3.87Å; R50-F113 HydrophobicContact CB-CE2 3.92Å; R50-F113 HydrophobicContact CB-CZ 3.6Å; R50-F113 HydrophobicContact CG-CE1 4.27Å; R50-F113 HydrophobicContact CG-CZ 4.28Å; R50-F113 PolarHBondContact N-O 2.89Å; R50-F113 PolarHBondContact O-N 2.9Å; F107-F113 CarbonylContact O-C 3.55Å; F107-F113 WeakPolarHBondContact O-CA 3.5Å; F107-F113 WeakPolarHBondContact O-CB 3.29Å; F113-R115 HydrophobicContact CD2-CB 3.58Å; F113-R115 HydrophobicContact CE2-CB 3.8Å; F113-I284 VanDerWaalsContact C-CD1 3.43Å; F113-I284 VanDerWaalsContact O-CD1 3.25Å; F113-I284 WeakPolarHBondContact O-CD1 2.84Å
114I98.3Very high96.1Very high6 Ų630.9 Ų30.93%0.03117%0.168CC..EExtended strand (participates in β ladder)trans-116.7115.7165.4-52.1-178.6000106.1E48 M49 I68 P104 S106 F107 Y116 I284E48-I114 WeakPolarHBondContact O-CA 3.42Å; M49-I114 HydrophobicContact CE-CD1 4.15Å; M49-I114 HydrophobicContact CG-CD1 4.49Å; M49-I114 HydrophobicContact CG-CG1 4.06Å; M49-I114 HydrophobicContact CG-CG2 4.41Å; M49-I114 HydrophobicContact SD-CD1 4.38Å; M49-I114 HydrophobicContact SD-CG1 4.48Å; I68-I114 HydrophobicContact CD1-CG2 3.76Å; P104-I114 HydrophobicContact CB-CD1 4.07Å; P104-I114 HydrophobicContact CB-CG2 4.48Å; P104-I114 HydrophobicContact CG-CG2 4.21Å; S106-I114 WeakPolarHBondContact CA-O 3.28Å; F107-I114 HydrophobicContact CB-CB 4.28Å; F107-I114 HydrophobicContact CB-CD1 4.18Å; F107-I114 HydrophobicContact CB-CG1 4.15Å; F107-I114 PolarHBondContact N-O 2.93Å; F107-I114 VanDerWaalsContact N-O 3.15Å; F107-I114 PolarHBondContact O-N 2.94Å; I114-Y116 HydrophobicContact CG2-CE2 3.86Å; I114-I284 HydrophobicContact CD1-CB 4.07Å; I114-I284 HydrophobicContact CD1-CG2 4.23Å; I114-I284 HydrophobicContact CG1-CB 4.11Å; I114-I284 HydrophobicContact CG1-CD1 3.95Å; I114-I284 HydrophobicContact CG1-CG2 4.39Å
115R98Very high95.5Very high98 Ų9830.8 Ų30.837%0.3717%0.169SC..EExtended strand (participates in β ladder)trans-131.1144.4-173.4-176.8176.4179.2-169.7-3.1111G47 E48 F113 D146G47-R115 CarbonylContact C-O 3.54Å; G47-R115 VanDerWaalsContact CA-O 3.31Å; G47-R115 WeakPolarHBondContact CA-O 3.43Å; E48-R115 PolarHBondContact N-O 2.78Å; E48-R115 PolarHBondContact O-N 3.34Å; F113-R115 HydrophobicContact CD2-CB 3.58Å; F113-R115 HydrophobicContact CE2-CB 3.8Å; R115-D146 IonicContact CZ-OD1 2.77Å; R115-D146 IonicContact CZ-OD2 3.75Å; R115-D146 IonicContact NE-OD1 3.08Å; R115-D146 PolarHBondContact NE-OD1 2.99Å; R115-D146 IonicContact NE-OD2 3.96Å; R115-D146 PolarHBondContact NE-OD2 3.01Å; R115-D146 IonicContact NH2-OD1 2.79Å; R115-D146 PolarHBondContact NH2-OD1 2.89Å; R115-D146 IonicContact NH2-OD2 2.68Å; R115-D146 PolarHBondContact NH2-OD2 3.36Å
116Y98.3Very high94.5Very high0 Ų036.1 Ų36.10%020%0.203CC..EExtended strand (participates in β ladder)trans-124139.8173.9-63.1-92.8000110.2K46 G47 I69 L103 P104 I114 F147 L149K46-Y116 CarbonylContact O-C 3.59Å; K46-Y116 VanDerWaalsContact O-CA 3.29Å; K46-Y116 WeakPolarHBondContact O-CA 3.16Å; G47-Y116 VanDerWaalsContact CA-CD1 3.46Å; I69-Y116 HydrophobicContact CD1-CD1 3.96Å; I69-Y116 HydrophobicContact CD1-CE1 3.95Å; I69-Y116 HydrophobicContact CG1-CD1 4.28Å; I69-Y116 HydrophobicContact CG1-CE1 4.15Å; L103-Y116 HydrophobicContact CD1-CE1 4.39Å; P104-Y116 VanDerWaalsContact CD-OH 3.27Å; P104-Y116 WeakPolarHBondContact CD-OH 3.27Å; P104-Y116 WeakPolarHBondContact CG-OH 3.41Å; P104-Y116 WeakPolarHBondContact O-CE2 3.26Å; P104-Y116 PolarHBondContact O-OH 2.76Å; I114-Y116 HydrophobicContact CG2-CE2 3.86Å; Y116-F147 VanDerWaalsContact CB-CZ 3.47Å; Y116-F147 HydrophobicContact CD1-CZ 4.43Å; Y116-F147 HydrophobicContact CG-CE2 4.23Å; Y116-F147 HydrophobicContact CG-CZ 4.25Å; Y116-F147 PolarHBondContact O-N 3.02Å; Y116-L149 HydrophobicContact CD1-CD1 4.32Å; Y116-L149 HydrophobicContact CD2-CB 3.46Å; Y116-L149 VanDerWaalsContact CD2-CB 3.46Å; Y116-L149 HydrophobicContact CD2-CG 4.39Å; Y116-L149 HydrophobicContact CE1-CD1 4.19Å; Y116-L149 HydrophobicContact CE2-CB 3.61Å; Y116-L149 HydrophobicContact CE2-CD1 4.42Å; Y116-L149 HydrophobicContact CE2-CD2 3.89Å; Y116-L149 HydrophobicContact CE2-CG 4.17Å; Y116-L149 HydrophobicContact CG-CB 4.04Å; Y116-L149 HydrophobicContact CG-CD1 4.48Å
117L97.4Very high93.4Very high16 Ų1639.2 Ų39.28%0.08424%0.238CC..EExtended strand (participates in β ladder)trans-142.2142.5-175.558.692.3000110.4V45 K46 V119 K145V45-L117 WeakPolarHBondContact CA-O 3.38Å; K46-L117 HydrophobicContact CB-CD1 3.76Å; K46-L117 HydrophobicContact CB-CG 4.06Å; K46-L117 HydrophobicContact CD-CD1 4.05Å; K46-L117 HydrophobicContact CG-CD1 4.03Å; K46-L117 PolarHBondContact N-O 3.19Å; K46-L117 PolarHBondContact O-N 3.14Å; L117-V119 HydrophobicContact CD1-CG2 3.11Å; L117-K145 WeakPolarHBondContact CA-O 3.3Å
118C98Very high92Very high0 Ų039.7 Ų39.70%024%0.243CC..EExtended strand (participates in β ladder)trans-99.2126.1165.1-172.30000107.9I9 L11 V43 A44 E144 K145I9-C118 HydrophobicContact CD1-CB 4.28Å; I9-C118 VanDerWaalsContact CD1-O 3.28Å; I9-C118 WeakPolarHBondContact CD1-O 3.39Å; I9-C118 HydrophobicContact CG2-CB 4.41Å; L11-C118 HydrophobicContact CD1-CB 4.39Å; L11-C118 HydrophobicContact CD2-CB 4.09Å; V43-C118 VanDerWaalsContact CG1-SG 3.56Å; A44-C118 CarbonylContact O-C 3.53Å; A44-C118 VanDerWaalsContact O-CA 3.26Å; A44-C118 WeakPolarHBondContact O-CA 3.5Å; C118-E144 CarbonylContact O-C 3.53Å; C118-E144 VanDerWaalsContact O-CA 3.31Å; C118-E144 WeakPolarHBondContact O-CA 3.13Å; C118-K145 PolarHBondContact N-O 3.23Å; C118-K145 PolarHBondContact O-N 3.2Å
119V97.9Very high90.3Very high9 Ų940.5 Ų40.56%0.05524%0.244CC..EExtended strand (participates in β ladder)trans-111133.4174.9-169.70000108.2V43 A44 K46 L117 V143 E144V43-V119 CarbonylContact C-O 3.56Å; V43-V119 WeakPolarHBondContact CA-O 3.4Å; A44-V119 HydrophobicContact CB-CB 4.5Å; A44-V119 PolarHBondContact N-O 3.48Å; A44-V119 PolarHBondContact O-N 2.95Å; K46-V119 HydrophobicContact CD-CG2 4.37Å; L117-V119 HydrophobicContact CD1-CG2 3.11Å; V119-V143 WeakPolarHBondContact CA-O 3.43Å; V119-E144 HydrophobicContact CG1-CG 4.2Å; V119-E144 HydrophobicContact CG2-CG 4.1Å
120A97.1Very high88.6Confident0 Ų039.4 Ų39.40%023%0.234CC..EExtended strand (participates in β ladder)trans-113.5133.5164.200000108.1F7 I9 L28 V42 V43 S142 V143F7-A120 HydrophobicContact CE1-CB 4.18Å; F7-A120 WeakPolarHBondContact CE1-O 3.32Å; F7-A120 HydrophobicContact CZ-CB 3.97Å; I9-A120 HydrophobicContact CD1-CB 3.84Å; I9-A120 HydrophobicContact CG1-CB 3.78Å; L28-A120 HydrophobicContact CD1-CB 3.46Å; L28-A120 VanDerWaalsContact CD1-CB 3.46Å; L28-A120 HydrophobicContact CD2-CB 4.34Å; L28-A120 HydrophobicContact CG-CB 4.48Å; V42-A120 CarbonylContact O-C 3.6Å; V42-A120 WeakPolarHBondContact O-CA 3.46Å; V43-A120 HydrophobicContact CG2-CB 4.26Å; A120-S142 CarbonylContact O-C 3.56Å; A120-S142 WeakPolarHBondContact O-CA 3.47Å; A120-V143 HydrophobicContact CB-CG1 3.89Å; A120-V143 PolarHBondContact N-O 3.25Å; A120-V143 PolarHBondContact O-N 2.89Å
121T95Very high86.4Confident23 Ų2335.3 Ų35.314%0.14122%0.217CC..EExtended strand (participates in β ladder)trans-125.9131.6-178.7-80.80000108.7L41 V42 E140 I141L41-T121 WeakPolarHBondContact CA-O 3.44Å; V42-T121 PolarHBondContact N-O 3.45Å; V42-T121 PolarHBondContact O-N 2.7Å; T121-E140 VanDerWaalsContact CG2-CD 3.49Å; T121-E140 HydrophobicContact CG2-CG 3.51Å; T121-E140 WeakPolarHBondContact CG2-OE1 3.44Å; T121-E140 PolarHBondContact OG1-OE1 3.04Å; T121-I141 CarbonylContact C-O 3.59Å; T121-I141 WeakPolarHBondContact CA-O 3.31Å
122A91.8Very high84.2Confident0 Ų039.1 Ų39.10%025%0.254CS..EExtended strand (participates in β ladder)trans-113.9115.2168.900000110.1F4 F7 Q40 L41 E140 I141F4-A122 HydrophobicContact CZ-CB 4.16Å; F7-A122 HydrophobicContact CE1-CB 4.49Å; F7-A122 HydrophobicContact CE2-CB 3.87Å; F7-A122 HydrophobicContact CZ-CB 3.76Å; Q40-A122 CarbonylContact O-C 3.44Å; Q40-A122 WeakPolarHBondContact O-CA 3.43Å; L41-A122 HydrophobicContact CD2-CB 3.43Å; L41-A122 VanDerWaalsContact CD2-CB 3.43Å; A122-E140 WeakPolarHBondContact O-CA 3.12Å; A122-I141 HydrophobicContact CB-CB 4.49Å; A122-I141 PolarHBondContact N-O 2.73Å; A122-I141 PolarHBondContact O-N 2.89Å
123T89.7Confident81.7Confident36 Ų3644.8 Ų44.822%0.22129%0.287CS..EExtended strand (participates in β ladder)trans-90.6124.3172.4-55.90000108.9H39 Q40 K139H39-T123 HydrophobicContact CB-CG2 4.5Å; H39-T123 PolarHBondContact N-O 3.35Å; Q40-T123 PolarHBondContact N-O 3.1Å; Q40-T123 PolarHBondContact O-N 2.82Å; T123-K139 WeakPolarHBondContact CA-O 3.09Å
124L86.6Confident79.2Confident8 Ų846.5 Ų46.54%0.04230%0.298CS..EExtended strand (participates in β ladder)trans-90.4149.8-177.8-55.5176.9000111.2F4 L36 I38 T128 C130 K139 I141F4-L124 HydrophobicContact CE2-CD2 4.15Å; L36-L124 HydrophobicContact CD2-CD2 3.8Å; L36-L124 HydrophobicContact CG-CD2 4.21Å; I38-L124 HydrophobicContact CG1-CD2 4.18Å; L124-T128 HydrophobicContact CB-CG2 4.41Å; L124-T128 HydrophobicContact CD1-CG2 4.46Å; L124-C130 HydrophobicContact CD1-CB 3.88Å; L124-C130 WeakPolarHBondContact CD1-SG 3.43Å; L124-K139 PolarHBondContact N-O 2.79Å; L124-I141 HydrophobicContact CD1-CD1 4.34Å
125A82.6Confident76.9Confident21 Ų2149.2 Ų49.217%0.17433%0.327CS..PPolyproline II helixtrans-62.7146.9175.900000110.9P37 G127 T128P37-A125 HydrophobicContact CB-CB 3.56Å; P37-A125 PolarHBondContact O-N 3.15Å; P37-A125 VanDerWaalsContact O-N 3.13Å; A125-G127 PolarHBondContact O-N 3.03Å; A125-T128 WeakPolarHBondContact O-CB 3.26Å; A125-T128 PolarHBondContact O-N 3.04Å; A125-T128 VanDerWaalsContact O-N 3.15Å; A125-T128 PolarHBondContact O-OG1 3.32Å
126P75.9Confident74.6Confident123 Ų12355.4 Ų55.480%0.79935%0.351SS*.THydrogen-bonded Turntrans-51.8138.1178.3-25.934.1000113T128P126-T128 VanDerWaalsContact C-N 3.27Å; P126-T128 PolarHBondContact O-N 3.15Å
127G72.9Confident72.5Confident83 Ų8363.2 Ų63.286%0.85639%0.387SS*.THydrogen-bonded Turntrans83.6-7.8-179.200000115A125A125-G127 PolarHBondContact O-N 3.03Å
128T68.6Low70.7Confident32 Ų3263.9 Ų63.920%0.19639%0.393CS..  trans-71.9131.3174.8-53.30000110.7L36 L124 A125 P126L36-T128 HydrophobicContact CD1-CG2 3.53Å; L124-T128 HydrophobicContact CB-CG2 4.41Å; L124-T128 HydrophobicContact CD1-CG2 4.46Å; A125-T128 WeakPolarHBondContact O-CB 3.26Å; A125-T128 PolarHBondContact O-N 3.04Å; A125-T128 VanDerWaalsContact O-N 3.15Å; A125-T128 PolarHBondContact O-OG1 3.32Å; P126-T128 VanDerWaalsContact C-N 3.27Å; P126-T128 PolarHBondContact O-N 3.15Å
129T61Low69.8Low113 Ų11371.3 Ų71.369%0.69343%0.425SS*.  trans-117.6117.5171.961.70000108.7
130C59.7Low69.3Low10 Ų1075.7 Ų75.77%0.06845%0.445CS..  trans-122.6-18.4-170.867.40000114.8L36 L124L36-C130 HydrophobicContact CD1-CB 4.27Å; L124-C130 HydrophobicContact CD1-CB 3.88Å; L124-C130 WeakPolarHBondContact CD1-SG 3.43Å
131L52.3Low68.8Low70 Ų7076.9 Ų76.937%0.36645%0.451SS..  trans-136.8126.2-173.6-145.675.7000111T133 L134L131-T133 PolarHBondContact O-N 2.93Å; L131-L134 HydrophobicContact CD2-CB 4.5Å; L131-L134 HydrophobicContact CD2-CD1 3.77Å; L131-L134 HydrophobicContact CD2-CG 4.01Å; L131-L134 VanDerWaalsContact O-O 3.12Å
132A50.6Low68.7Low111 Ų11179.2 Ų79.292%0.91747%0.468SS*.SBendtrans-73.4-16.6175.700000113
133T46.2Very low68.9Low128 Ų12880.6 Ų80.679%0.78548%0.477SS*.SBendtrans-91.8-19.6-171.3-36.90000113.4L131L131-T133 PolarHBondContact O-N 2.93Å
134L45.3Very low69.2Low90 Ų9084.1 Ų84.147%0.47149%0.491SS..SBendtrans-105.2135.5168.3-66.2164.8000106.1L131 S138L131-L134 HydrophobicContact CD2-CB 4.5Å; L131-L134 HydrophobicContact CD2-CD1 3.77Å; L131-L134 HydrophobicContact CD2-CG 4.01Å; L131-L134 VanDerWaalsContact O-O 3.12Å; L134-S138 WeakPolarHBondContact CD1-OG 3.37Å
135G49Very low69.7Low62 Ų6288.1 Ų88.164%0.63951%0.508SS*.  trans-50.4167.9-179.500000112.2H137 S138G135-H137 PolarHBondContact O-N 2.94Å; G135-S138 PolarHBondContact O-N 2.77Å
136R51.1Low70.4Confident229 Ų22990.9 Ų90.986%0.86452%0.52SS*.THydrogen-bonded Turntrans-52.413.5-175-71.8-176.9166.8-163-3.4117.5
137H53.1Low71.4Confident164 Ų16485.4 Ų85.476%0.75948%0.483SS*.THydrogen-bonded Turntrans-136.711.6-173-56.8-61.1000115.1G135 K139G135-H137 PolarHBondContact O-N 2.94Å; H137-K139 PolarHBondContact O-N 2.79Å
138S59.4Low72.5Confident29 Ų2986 Ų8620%0.20347%0.466CS..  trans-69.5104171.8167.30000109.7L134 G135 E140L134-S138 WeakPolarHBondContact CD1-OG 3.37Å; G135-S138 PolarHBondContact O-N 2.77Å; S138-E140 PolarHBondContact OG-O 3.45Å
139K79.9Confident73.8Confident156 Ų15684.5 Ų84.568%0.67846%0.457SS*.  trans-87.6-10176.7-66.7-179.1178.2-177.60112.8T123 L124 H137T123-K139 WeakPolarHBondContact CA-O 3.09Å; L124-K139 PolarHBondContact N-O 2.79Å; H137-K139 PolarHBondContact O-N 2.79Å
140E86.4Confident75.4Confident101 Ų10181 Ų8147%0.47244%0.436SS..EExtended strand (participates in β ladder)trans-139.7138.9-170.1-165.1-176.3158.400110.1T121 A122 S138T121-E140 VanDerWaalsContact CG2-CD 3.49Å; T121-E140 HydrophobicContact CG2-CG 3.51Å; T121-E140 WeakPolarHBondContact CG2-OE1 3.44Å; T121-E140 PolarHBondContact OG1-OE1 3.04Å; A122-E140 WeakPolarHBondContact O-CA 3.12Å; S138-E140 PolarHBondContact OG-O 3.45Å
141I88.6Confident77.1Confident26 Ų2680.8 Ų80.813%0.13343%0.434CS..EExtended strand (participates in β ladder)trans-119.3130.2169.2-59.4173.8000106.9F4 F7 T121 A122 L124F4-I141 HydrophobicContact CD2-CD1 3.29Å; F4-I141 HydrophobicContact CE2-CD1 3.23Å; F4-I141 HydrophobicContact CG-CD1 4.25Å; F4-I141 HydrophobicContact CZ-CD1 4.15Å; F7-I141 HydrophobicContact CD1-CG2 3.79Å; F7-I141 HydrophobicContact CE1-CG2 4.22Å; F7-I141 HydrophobicContact CG-CG2 4.36Å; T121-I141 CarbonylContact C-O 3.59Å; T121-I141 WeakPolarHBondContact CA-O 3.31Å; A122-I141 HydrophobicContact CB-CB 4.49Å; A122-I141 PolarHBondContact N-O 2.73Å; A122-I141 PolarHBondContact O-N 2.89Å; L124-I141 HydrophobicContact CD1-CD1 4.34Å
142S92.5Very high79.1Confident71 Ų7179.1 Ų79.150%0.49743%0.425SS..EExtended strand (participates in β ladder)trans-129.3150.3176.260.40000111.7A120A120-S142 CarbonylContact O-C 3.56Å; A120-S142 WeakPolarHBondContact O-CA 3.47Å
143V95.6Very high81.2Confident29 Ų2973.9 Ų73.918%0.17638%0.381CS..EExtended strand (participates in β ladder)trans-135.2145.9170.963.40000108.3F7 I9 V119 A120F7-V143 HydrophobicContact CD1-CB 4.08Å; F7-V143 HydrophobicContact CD1-CG1 3.65Å; F7-V143 HydrophobicContact CE1-CB 4.39Å; F7-V143 HydrophobicContact CE1-CG1 3.73Å; I9-V143 HydrophobicContact CD1-CG1 3.97Å; I9-V143 HydrophobicContact CG1-CG1 3.91Å; V119-V143 WeakPolarHBondContact CA-O 3.43Å; A120-V143 HydrophobicContact CB-CG1 3.89Å; A120-V143 PolarHBondContact N-O 3.25Å; A120-V143 PolarHBondContact O-N 2.89Å
144E96.4Very high83.5Confident111 Ų11171 Ų7152%0.51936%0.359SS..EExtended strand (participates in β ladder)trans-124.6143.7-178.7-58.6-173.9163.800110.2C118 V119C118-E144 CarbonylContact O-C 3.53Å; C118-E144 VanDerWaalsContact O-CA 3.31Å; C118-E144 WeakPolarHBondContact O-CA 3.13Å; V119-E144 HydrophobicContact CG1-CG 4.2Å; V119-E144 HydrophobicContact CG2-CG 4.1Å
145K96.8Very high85.8Confident91 Ų9168.7 Ų68.740%0.39635%0.346SS..EExtended strand (participates in β ladder)trans-135.9119.2177.1-169.372.4172.7-164.30110.2I9 L11 L117 C118I9-K145 HydrophobicContact CB-CB 4Å; I9-K145 HydrophobicContact CD1-CB 4.09Å; I9-K145 HydrophobicContact CG2-CB 4.19Å; L11-K145 HydrophobicContact CD1-CB 4.42Å; L11-K145 HydrophobicContact CD1-CG 3.9Å; L11-K145 HydrophobicContact CG-CG 4.23Å; L117-K145 WeakPolarHBondContact CA-O 3.3Å; C118-K145 PolarHBondContact N-O 3.23Å; C118-K145 PolarHBondContact O-N 3.2Å
146D96.4Very high87.8Confident80 Ų8073.7 Ų73.743%0.42835%0.35SS..EExtended strand (participates in β ladder)trans-76.7151.4174.1-65-39.5000112.1R115R115-D146 IonicContact CZ-OD1 2.77Å; R115-D146 IonicContact CZ-OD2 3.75Å; R115-D146 IonicContact NE-OD1 3.08Å; R115-D146 PolarHBondContact NE-OD1 2.99Å; R115-D146 IonicContact NE-OD2 3.96Å; R115-D146 PolarHBondContact NE-OD2 3.01Å; R115-D146 IonicContact NH2-OD1 2.79Å; R115-D146 PolarHBondContact NH2-OD1 2.89Å; R115-D146 IonicContact NH2-OD2 2.68Å; R115-D146 PolarHBondContact NH2-OD2 3.36Å
147F96.9Very high89.8Confident7 Ų765.6 Ų65.63%0.03132%0.324CS..EExtended strand (participates in β ladder)trans-142154.4165.662.8-86.7000110.4L11 V18 L24 V45 Y116 L149L11-F147 HydrophobicContact CD1-CB 4.04Å; L11-F147 HydrophobicContact CD1-CD1 3.95Å; L11-F147 HydrophobicContact CD1-CG 4.33Å; V18-F147 HydrophobicContact CB-CD2 3.97Å; V18-F147 HydrophobicContact CB-CE2 4.3Å; V18-F147 HydrophobicContact CG2-CB 4.31Å; V18-F147 HydrophobicContact CG2-CD2 3.64Å; V18-F147 HydrophobicContact CG2-CE2 4.28Å; V18-F147 HydrophobicContact CG2-CG 4.21Å; L24-F147 HydrophobicContact CD2-CD1 4.36Å; L24-F147 HydrophobicContact CD2-CE1 3.8Å; L24-F147 HydrophobicContact CD2-CE2 4.39Å; L24-F147 HydrophobicContact CD2-CZ 3.8Å; V45-F147 HydrophobicContact CG1-CE1 4.13Å; V45-F147 HydrophobicContact CG1-CZ 3.91Å; Y116-F147 VanDerWaalsContact CB-CZ 3.47Å; Y116-F147 HydrophobicContact CD1-CZ 4.43Å; Y116-F147 HydrophobicContact CG-CE2 4.23Å; Y116-F147 HydrophobicContact CG-CZ 4.25Å; Y116-F147 PolarHBondContact O-N 3.02Å; F147-L149 HydrophobicContact CE2-CB 4.29Å; F147-L149 HydrophobicContact CE2-CD1 4.17Å
148L96.2Very high91.7Very high95 Ų9558.4 Ų58.450%0.49729%0.291SS..EExtended strand (participates in β ladder)trans-91.7112.3177.8-65.4175.2000109.1G16 R17 V18G16-L148 PolarHBondContact O-N 2.92Å; R17-L148 CarbonylContact C-O 3.55Å; R17-L148 VanDerWaalsContact CA-O 3.3Å; R17-L148 WeakPolarHBondContact CA-O 3.41Å; R17-L148 HydrophobicContact CG-CB 4.3Å; V18-L148 PolarHBondContact N-O 2.87Å
149L96.5Very high93.2Very high1 Ų164.7 Ų64.71%0.00531%0.311CS..EExtended strand (participates in β ladder)trans-87.6134.8173.7-170.6130.8000110.2V18 A20 L99 L103 P104 S105 S106 Y116 F147V18-L149 CarbonylContact O-C 3.6Å; V18-L149 VanDerWaalsContact O-CA 3.3Å; V18-L149 WeakPolarHBondContact O-CA 3.5Å; A20-L149 HydrophobicContact CB-CD2 4.31Å; L99-L149 HydrophobicContact CD1-CD1 3.94Å; L103-L149 HydrophobicContact CB-CD1 4.15Å; L103-L149 HydrophobicContact CB-CD2 3.53Å; L103-L149 HydrophobicContact CB-CG 4.48Å; L103-L149 HydrophobicContact CD1-CD1 3.64Å; L103-L149 WeakPolarHBondContact O-CD2 3.39Å; P104-L149 VanDerWaalsContact O-CD2 3.26Å; P104-L149 WeakPolarHBondContact O-CD2 3.41Å; S105-L149 CarbonylContact C-O 3.53Å; S105-L149 WeakPolarHBondContact CA-O 3.4Å; S106-L149 PolarHBondContact N-O 3.45Å; S106-L149 PolarHBondContact OG-N 3.46Å; Y116-L149 HydrophobicContact CD1-CD1 4.32Å; Y116-L149 HydrophobicContact CD2-CB 3.46Å; Y116-L149 VanDerWaalsContact CD2-CB 3.46Å; Y116-L149 HydrophobicContact CD2-CG 4.39Å; Y116-L149 HydrophobicContact CE1-CD1 4.19Å; Y116-L149 HydrophobicContact CE2-CB 3.61Å; Y116-L149 HydrophobicContact CE2-CD1 4.42Å; Y116-L149 HydrophobicContact CE2-CD2 3.89Å; Y116-L149 HydrophobicContact CE2-CG 4.17Å; Y116-L149 HydrophobicContact CG-CB 4.04Å; Y116-L149 HydrophobicContact CG-CD1 4.48Å; F147-L149 HydrophobicContact CE2-CB 4.29Å; F147-L149 HydrophobicContact CE2-CD1 4.17Å
150V94.6Very high93.4Very high40 Ų4059.1 Ų59.124%0.24229%0.287CS..EExtended strand (participates in β ladder)trans-120124.1174.8-178.50000108.4V18 M19 A20V18-V150 PolarHBondContact O-N 2.94Å; M19-V150 CarbonylContact C-O 3.42Å; M19-V150 WeakPolarHBondContact CA-O 3.21Å; M19-V150 HydrophobicContact CE-CB 4.17Å; M19-V150 HydrophobicContact CE-CG1 3.92Å; M19-V150 HydrophobicContact SD-CB 3.74Å; M19-V150 HydrophobicContact SD-CG1 4.05Å; A20-V150 PolarHBondContact N-O 2.63Å
151D95.4Very high93.3Very high6 Ų655 Ų553%0.03227%0.271CS..  trans-70.2150175.6-161.24.7000110.9H102 L103 S105 V153 P276 S308H102-D151 VanDerWaalsContact CA-OD1 3.28Å; H102-D151 WeakPolarHBondContact CA-OD1 3.41Å; L103-D151 WeakPolarHBondContact O-CB 3.38Å; S105-D151 WeakPolarHBondContact OG-CB 3.36Å; S105-D151 PolarHBondContact OG-N 2.96Å; D151-V153 HydrophobicContact CB-CG2 4.38Å; D151-P276 HydrophobicContact CB-CG 4.05Å; D151-S308 PolarHBondContact O-OG 3.42Å
152I94.4Very high93.1Very high35 Ų3559.8 Ų59.818%0.17930%0.296CS..  trans-104.8103.4169.2-62.1177.1000107.5M19 L310M19-I152 HydrophobicContact CB-CD1 3.95Å; M19-I152 HydrophobicContact CB-CG1 4.28Å; M19-I152 HydrophobicContact CE-CD1 3.92Å; M19-I152 HydrophobicContact CE-CG1 3.34Å; I152-L310 HydrophobicContact CD1-CD2 4.36Å; I152-L310 HydrophobicContact CG1-CD2 4.43Å; I152-L310 HydrophobicContact CG2-CD2 3.8Å
153V95Very high92.9Very high0 Ų062.4 Ų62.40%030%0.299CS..  trans-107.2114174.8178.40000108.2D151 L158 P276 L279 A307 S308D151-V153 HydrophobicContact CB-CG2 4.38Å; V153-L158 HydrophobicContact CG1-CD1 4.45Å; V153-L158 HydrophobicContact CG1-CD2 3.78Å; V153-L158 HydrophobicContact CG1-CG 4.04Å; V153-P276 HydrophobicContact CB-CB 3.77Å; V153-P276 HydrophobicContact CB-CG 4.3Å; V153-P276 HydrophobicContact CG2-CB 3.69Å; V153-P276 HydrophobicContact CG2-CG 3.78Å; V153-L279 HydrophobicContact CG1-CD1 4.14Å; V153-L279 HydrophobicContact CG1-CD2 3.75Å; V153-L279 HydrophobicContact CG1-CG 4Å; V153-L279 HydrophobicContact CG2-CD1 4.08Å; V153-L279 HydrophobicContact CG2-CG 3.95Å; V153-A307 WeakPolarHBondContact O-CB 3.4Å; V153-S308 PolarHBondContact N-OG 3.13Å; V153-S308 PolarHBondContact O-N 2.88Å
154H94.4Very high92.8Very high69 Ų6965.9 Ų65.932%0.31932%0.322SS..  trans-82.2151.1175.9-57.5-79.3000110.6K156 D157H154-K156 HydrophobicContact CB-CG 3.89Å; H154-K156 PolarHBondContact O-N 2.77Å; H154-K156 VanDerWaalsContact O-N 3.14Å; H154-D157 WeakPolarHBondContact CB-OD2 3.41Å; H154-D157 IonicContact CD2-OD2 3.8Å; H154-D157 PolarHBondContact CD2-OD2 2.74Å; H154-D157 IonicContact CG-OD2 3.43Å; H154-D157 PolarHBondContact N-OD2 2.87Å; H154-D157 WeakPolarHBondContact O-CB 3.44Å; H154-D157 PolarHBondContact O-N 2.86Å
155M93.4Very high92.6Very high40 Ų4062.1 Ų62.120%0.19731%0.305CS..G310 helixtrans-53-38.5176.2-167.768.588.500112.3D157 L158 A161 A193 L195 A307M155-D157 PolarHBondContact O-N 2.88Å; M155-L158 WeakPolarHBondContact O-CB 3.25Å; M155-L158 PolarHBondContact O-N 2.98Å; M155-L158 HydrophobicContact SD-CD1 4.36Å; M155-A161 HydrophobicContact CG-CB 3.97Å; M155-A161 WeakPolarHBondContact O-CB 3.15Å; M155-A161 HydrophobicContact SD-CB 4.36Å; M155-A193 HydrophobicContact SD-CB 3.36Å; M155-A193 WeakPolarHBondContact SD-CB 3.37Å; M155-L195 HydrophobicContact CE-CD2 4.13Å; M155-L195 HydrophobicContact CE-CG 4.06Å; M155-A307 HydrophobicContact SD-CB 4.33Å
156K91.9Very high92.5Very high167 Ų16763.2 Ų63.273%0.72631%0.311SS*.G310 helixtrans-64.3-20.9179.167.4179-177.6179.50114.4H154 L158H154-K156 HydrophobicContact CB-CG 3.89Å; H154-K156 PolarHBondContact O-N 2.77Å; H154-K156 VanDerWaalsContact O-N 3.14Å; K156-L158 VanDerWaalsContact C-N 3.29Å
157D92Very high92.5Very high60 Ų6061.2 Ų61.232%0.32130%0.303SS..G310 helixtrans-85.7-8.9-178.4-52.7-35.6000111.4H102 H154 M155 L279H102-D157 IonicContact CE1-OD2 3.76Å; H154-D157 WeakPolarHBondContact CB-OD2 3.41Å; H154-D157 IonicContact CD2-OD2 3.8Å; H154-D157 PolarHBondContact CD2-OD2 2.74Å; H154-D157 IonicContact CG-OD2 3.43Å; H154-D157 PolarHBondContact N-OD2 2.87Å; H154-D157 WeakPolarHBondContact O-CB 3.44Å; H154-D157 PolarHBondContact O-N 2.86Å; M155-D157 PolarHBondContact O-N 2.88Å; D157-L279 HydrophobicContact CB-CD1 4.07Å; D157-L279 HydrophobicContact CB-CD2 4.3Å
158L94Very high92.5Very high12 Ų1266.9 Ų66.96%0.06333%0.33CS..SBendtrans-91.8143.5-178.8-64.7178.6000111.7V153 M155 K156 A161 A193 T277 L279 E305 A307V153-L158 HydrophobicContact CG1-CD1 4.45Å; V153-L158 HydrophobicContact CG1-CD2 3.78Å; V153-L158 HydrophobicContact CG1-CG 4.04Å; M155-L158 WeakPolarHBondContact O-CB 3.25Å; M155-L158 PolarHBondContact O-N 2.98Å; M155-L158 HydrophobicContact SD-CD1 4.36Å; K156-L158 VanDerWaalsContact C-N 3.29Å; L158-A161 HydrophobicContact CB-CB 4.4Å; L158-A193 HydrophobicContact CB-CB 4.27Å; L158-A193 HydrophobicContact CD1-CB 3.76Å; L158-T277 HydrophobicContact CD2-CG2 4.3Å; L158-L279 HydrophobicContact CD2-CD2 3.8Å; L158-E305 HydrophobicContact CB-CB 4.33Å; L158-E305 WeakPolarHBondContact CB-OE2 3.36Å; L158-E305 HydrophobicContact CD1-CB 3.77Å; L158-E305 HydrophobicContact CD2-CB 3.92Å; L158-E305 HydrophobicContact CD2-CG 4.46Å; L158-E305 HydrophobicContact CG-CB 4.23Å; L158-A307 HydrophobicContact CD1-CB 3.73Å
159R89.6Confident92.4Very high162 Ų16266 Ų6661%0.61133%0.326SS*.THydrogen-bonded Turntrans-75.2-32.6-173.8-68.8-176.7-63.6-98.9-16.1112.6E305R159-E305 IonicContact CZ-OE1 2.9Å; R159-E305 PolarHBondContact N-OE2 2.53Å; R159-E305 IonicContact NE-OE1 2.7Å; R159-E305 IonicContact NH2-OE1 3.13Å; R159-E305 PolarHBondContact NH2-OE1 2.89Å
160Q83.7Confident92.2Very high38 Ų3870 Ų7018%0.17834%0.344CS..THydrogen-bonded Turntrans-95.56.7-175.9-60.1-176.7-2500113.2N162 K163 G192 P303 E305Q160-N162 PolarHBondContact O-N 2.85Å; Q160-K163 PolarHBondContact O-N 2.88Å; Q160-G192 PolarHBondContact O-N 2.91Å; Q160-G192 PolarHBondContact OE1-O 2.87Å; Q160-P303 PolarHBondContact NE2-O 3.41Å; Q160-P303 PolarHBondContact OE1-O 2.91Å; Q160-E305 PolarHBondContact N-OE2 2.88Å
161A84.1Confident91.9Very high16 Ų1669.5 Ų69.513%0.13234%0.339CS..THydrogen-bonded Turntrans-57.9135.7178.900000112.5M155 L158 K163 A193M155-A161 HydrophobicContact CG-CB 3.97Å; M155-A161 WeakPolarHBondContact O-CB 3.15Å; M155-A161 HydrophobicContact SD-CB 4.36Å; L158-A161 HydrophobicContact CB-CB 4.4Å; A161-K163 PolarHBondContact O-N 3Å; A161-A193 HydrophobicContact CB-CB 4.39Å
162N84.7Confident91.4Very high125 Ų12575.5 Ų75.567%0.66837%0.367SS*.THydrogen-bonded Turntrans54.721.4175.2-53.9-39.7000115.2Q160Q160-N162 PolarHBondContact O-N 2.85Å
163K88.9Confident90.7Very high127 Ų12774.1 Ų74.155%0.55236%0.36SS*.  trans-114.4121.8174.3-67.8175.7-172.3166.40109Q160 A161 L165 Q191 G192Q160-K163 PolarHBondContact O-N 2.88Å; A161-K163 PolarHBondContact O-N 3Å; K163-L165 PolarHBondContact O-N 3.37Å; K163-Q191 CarbonylContact O-C 3.58Å; K163-Q191 VanDerWaalsContact O-CA 3.23Å; K163-Q191 WeakPolarHBondContact O-CA 3.15Å; K163-G192 PolarHBondContact O-N 2.88Å
164P92.9Very high89.8Confident102 Ų10278.2 Ų78.266%0.66239%0.385SS*.  trans-53.3140.5168.9-24.333.5000110.4P190P164-P190 WeakPolarHBondContact CA-O 3.23Å
165L93.9Very high88.7Confident32 Ų3276.1 Ų76.117%0.16838%0.382CS..EExtended strand (participates in β ladder)trans-113.2138.2174.9-68.8-175000109.7K163 R188 L189 V302 P303 V304K163-L165 PolarHBondContact O-N 3.37Å; L165-R188 CarbonylContact O-C 3.58Å; L165-R188 WeakPolarHBondContact O-CA 3.38Å; L165-L189 HydrophobicContact CB-CB 4.46Å; L165-L189 HydrophobicContact CB-CD1 4.14Å; L165-L189 PolarHBondContact N-O 2.81Å; L165-L189 VanDerWaalsContact N-O 3.12Å; L165-L189 PolarHBondContact O-N 3.01Å; L165-V302 HydrophobicContact CB-CG1 4.17Å; L165-V302 HydrophobicContact CD1-CG1 4Å; L165-P303 VanDerWaalsContact CD1-O 3.24Å; L165-P303 WeakPolarHBondContact CD1-O 3.46Å; L165-V304 HydrophobicContact CD1-CG1 4.5Å
166Q94.4Very high87.5Confident113 Ų11379.4 Ų79.453%0.52841%0.408SS..EExtended strand (participates in β ladder)trans-140.5130.1173.6-179.5168.9-9.400108.5E168 V187 R188Q166-E168 HydrophobicContact CG-CG 4.26Å; Q166-E168 PolarHBondContact NE2-OE1 3.23Å; Q166-V187 VanDerWaalsContact CA-O 3.29Å; Q166-V187 WeakPolarHBondContact CA-O 3.38Å; Q166-R188 HydrophobicContact CB-CG 4.03Å; Q166-R188 HydrophobicContact CG-CG 3.66Å
167C96.1Very high86.8Confident38 Ų3876.1 Ų76.126%0.25741%0.405SS..EExtended strand (participates in β ladder)trans-129.5142.2171.8-64.30000108.7S186 V187 L300 V302C167-S186 WeakPolarHBondContact O-CA 3.43Å; C167-V187 PolarHBondContact N-O 3.08Å; C167-V187 PolarHBondContact O-N 2.79Å; C167-L300 HydrophobicContact CB-CD1 4.26Å; C167-L300 HydrophobicContact CB-CD2 4.47Å; C167-V302 HydrophobicContact CB-CG2 3.83Å
168E95.7Very high86Confident127 Ų12784.1 Ų84.159%0.59343%0.43SS*.EExtended strand (participates in β ladder)trans-136.2145.1-179.7-48.9-164.1148.800109.1Q166 L185 S186Q166-E168 HydrophobicContact CG-CG 4.26Å; Q166-E168 PolarHBondContact NE2-OE1 3.23Å; E168-L185 CarbonylContact C-O 3.48Å; E168-L185 VanDerWaalsContact CA-O 3.22Å; E168-L185 WeakPolarHBondContact CA-O 3.3Å; E168-S186 WeakPolarHBondContact CG-OG 3.08Å; E168-S186 WeakPolarHBondContact OE1-CB 3.34Å; E168-S186 PolarHBondContact OE1-OG 2.77Å
169D94.5Very high85Confident77 Ų7790.9 Ų90.941%0.41246%0.455SS..EExtended strand (participates in β ladder)trans-147.8159.2174.4-157.10.2000111.4F171 L185 L300D169-F171 HydrophobicContact CB-CE2 3.74Å; D169-F171 HydrophobicContact CB-CZ 3.72Å; D169-F171 WeakPolarHBondContact OD2-CZ 3.49Å; D169-L185 PolarHBondContact N-O 3.39Å; D169-L185 PolarHBondContact O-N 3.23Å; D169-L300 HydrophobicContact CB-CD1 4.01Å
170H91.6Very high84.5Confident83 Ų8388 Ų8838%0.38445%0.451SS..EExtended strand (participates in β ladder)trans-118.5122.2-178.1179.680.5000110.5D184H170-D184 IonicContact CE1-OD1 2.72Å; H170-D184 IonicContact CG-OD1 3.89Å; H170-D184 IonicContact ND1-OD1 3.83Å; H170-D184 PolarHBondContact ND1-OD1 2.75Å
171F88.5Confident84.2Confident31 Ų3187.5 Ų87.514%0.13645%0.448CS..EExtended strand (participates in β ladder)trans-116.7132.3-177.8-57.2-81.9000112D169 V173 N182 V183 L185 C298 E299 L300D169-F171 HydrophobicContact CB-CE2 3.74Å; D169-F171 HydrophobicContact CB-CZ 3.72Å; D169-F171 WeakPolarHBondContact OD2-CZ 3.49Å; F171-V173 HydrophobicContact CB-CG2 4.27Å; F171-N182 WeakPolarHBondContact O-CA 3.25Å; F171-V183 PolarHBondContact N-O 2.95Å; F171-V183 PolarHBondContact O-N 3.49Å; F171-L185 HydrophobicContact CD2-CB 4.3Å; F171-L185 HydrophobicContact CE2-CB 3.97Å; F171-L185 HydrophobicContact CE2-CD2 4.02Å; F171-C298 HydrophobicContact CB-CB 4.15Å; F171-C298 WeakPolarHBondContact CB-SG 3.14Å; F171-C298 HydrophobicContact CD1-CB 3.74Å; F171-C298 HydrophobicContact CD2-CB 3.74Å; F171-C298 HydrophobicContact CE1-CB 4.02Å; F171-C298 HydrophobicContact CE2-CB 4.01Å; F171-C298 HydrophobicContact CG-CB 3.59Å; F171-C298 HydrophobicContact CZ-CB 4.15Å; F171-E299 WeakPolarHBondContact CZ-O 3.17Å; F171-L300 HydrophobicContact CZ-CB 4.48Å
172E85.8Confident84.3Confident131 Ų13189.1 Ų89.161%0.61246%0.455SS*.EExtended strand (participates in β ladder)trans-94.1107.1166.8-66.7-169.5171.900109.5I180E172-I180 HydrophobicContact CB-CG2 3.87Å; E172-I180 HydrophobicContact CG-CG2 4.23Å
173V79.2Confident84.3Confident6 Ų683.3 Ų83.34%0.03642%0.424CS..EExtended strand (participates in β ladder)trans-102.1119.9-177.4-174.30000110.5F171 G175 E181 V183 K297 C298F171-V173 HydrophobicContact CB-CG2 4.27Å; V173-G175 PolarHBondContact O-N 3.16Å; V173-E181 PolarHBondContact N-O 2.82Å; V173-E181 PolarHBondContact O-N 3.19Å; V173-V183 HydrophobicContact CG2-CG2 4.29Å; V173-K297 HydrophobicContact CG1-CD 3.67Å; V173-C298 WeakPolarHBondContact CG2-SG 3.48Å
174V77.3Confident84.3Confident87 Ų8779.2 Ų79.253%0.52741%0.408SS..EExtended strand (participates in β ladder)trans-82.5114.4174.9-172.30000109.8I180V174-I180 HydrophobicContact CG2-CG1 4.44Å
175G70.9Confident84.3Confident25 Ų2574.4 Ų74.426%0.25838%0.377SS..  trans-87.1179.7174.600000113.7V173 C177 R178 R179V173-G175 PolarHBondContact O-N 3.16Å; G175-C177 PolarHBondContact O-N 2.86Å; G175-R178 PolarHBondContact O-N 2.92Å; G175-R179 PolarHBondContact N-O 2.85Å
176C67.4Low84.3Confident109 Ų10973.2 Ų73.274%0.73637%0.371SS*.THydrogen-bonded Turntrans-57.1135.9169-172.30000109.8
177C77.4Confident84.4Confident98 Ų9867.8 Ų67.866%0.66235%0.346SS*.THydrogen-bonded Turntrans76.922.2-172.3-45.20000116.6G175 R179G175-C177 PolarHBondContact O-N 2.86Å; C177-R179 PolarHBondContact O-N 2.92Å; C177-R179 VanDerWaalsContact O-N 3.13Å
178R75.5Confident84.4Confident228 Ų22869.7 Ų69.786%0.8635%0.347SS*.SBendtrans58.722.3177.5-57.4-176179.1179.9-0.6114.5G175G175-R178 PolarHBondContact O-N 2.92Å
179R74.1Confident84.5Confident153 Ų15364 Ų6458%0.57732%0.321SS*.  trans-78.6130.1171-67.9-174.8-179.5-175.70108.5G175 C177G175-R179 PolarHBondContact N-O 2.85Å; C177-R179 PolarHBondContact O-N 2.92Å; C177-R179 VanDerWaalsContact O-N 3.13Å
180I78.1Confident84.6Confident103 Ų10363.8 Ų63.853%0.52832%0.324SS..EExtended strand (participates in β ladder)trans-90.5128.9175.7-57.4174.8000107.5E172 V174E172-I180 HydrophobicContact CB-CG2 3.87Å; E172-I180 HydrophobicContact CG-CG2 4.23Å; V174-I180 HydrophobicContact CG2-CG1 4.44Å
181E78Confident84.7Confident26 Ų2661.9 Ų61.912%0.12132%0.315CS..EExtended strand (participates in β ladder)trans-117.1135.3172.7-70.1178.5166.300109V173 L214 R216V173-E181 PolarHBondContact N-O 2.82Å; V173-E181 PolarHBondContact O-N 3.19Å; E181-L214 WeakPolarHBondContact OE2-CD1 3.47Å; E181-R216 IonicContact OE2-NH2 3.63Å; E181-R216 PolarHBondContact OE2-NH2 2.85Å
182N84.8Confident85.1Confident51 Ų5160.4 Ų60.427%0.27331%0.309SS..EExtended strand (participates in β ladder)trans-97.1129.6-179-70.5-1.6000109.6F171 K209F171-N182 WeakPolarHBondContact O-CA 3.25Å; N182-K209 HydrophobicContact CB-CB 4.22Å; N182-K209 PolarHBondContact O-N 3.26Å
183V85.1Confident85.6Confident3 Ų354.2 Ų54.22%0.01828%0.28CS..EExtended strand (participates in β ladder)trans-122.8118.8177.4-1770000108.1F171 V173 V206 L294F171-V183 PolarHBondContact N-O 2.95Å; F171-V183 PolarHBondContact O-N 3.49Å; V173-V183 HydrophobicContact CG2-CG2 4.29Å; V183-V206 HydrophobicContact CG1-CG1 3.94Å; V183-L294 HydrophobicContact CG1-CD1 3.82Å
184D89.7Confident86.4Confident40 Ų4054 Ų5421%0.21428%0.278CS..EExtended strand (participates in β ladder)trans-92.3127.6165.9-45.6-43.3000107.2H170 K207 K209H170-D184 IonicContact CE1-OD1 2.72Å; H170-D184 IonicContact CG-OD1 3.89Å; H170-D184 IonicContact ND1-OD1 3.83Å; H170-D184 PolarHBondContact ND1-OD1 2.75Å; D184-K207 HydrophobicContact CB-CB 4.22Å; D184-K207 PolarHBondContact N-O 2.94Å; D184-K207 PolarHBondContact O-N 3.12Å; D184-K209 IonicContact OD1-NZ 3.51Å; D184-K209 PolarHBondContact OD1-NZ 2.94Å; D184-K209 WeakPolarHBondContact OD2-CE 2.97Å; D184-K209 IonicContact OD2-NZ 3.41Å; D184-K209 PolarHBondContact OD2-NZ 2.93Å
185L91.6Very high87.4Confident2 Ų253.1 Ų53.11%0.0127%0.27CS..EExtended strand (participates in β ladder)trans-120.6128.3-179.7178.862.2000108.8E168 D169 F171 L204 V206 V292 L294 L300E168-L185 CarbonylContact C-O 3.48Å; E168-L185 VanDerWaalsContact CA-O 3.22Å; E168-L185 WeakPolarHBondContact CA-O 3.3Å; D169-L185 PolarHBondContact N-O 3.39Å; D169-L185 PolarHBondContact O-N 3.23Å; F171-L185 HydrophobicContact CD2-CB 4.3Å; F171-L185 HydrophobicContact CE2-CB 3.97Å; F171-L185 HydrophobicContact CE2-CD2 4.02Å; L185-L204 HydrophobicContact CD1-CD1 3.45Å; L185-L204 VanDerWaalsContact CD1-CD1 3.45Å; L185-L204 HydrophobicContact CD1-CG 4.38Å; L185-V206 HydrophobicContact CD1-CG2 3.87Å; L185-V292 HydrophobicContact CD1-CG1 4.4Å; L185-V292 HydrophobicContact CD2-CG1 4.08Å; L185-L294 HydrophobicContact CD1-CD1 4.37Å; L185-L294 HydrophobicContact CD2-CD1 4.2Å; L185-L294 HydrophobicContact CD2-CG 4.4Å; L185-L300 HydrophobicContact CB-CD2 4.49Å; L185-L300 HydrophobicContact CD2-CB 3.61Å; L185-L300 HydrophobicContact CD2-CD2 4.07Å; L185-L300 HydrophobicContact CG-CB 4.4Å; L185-L300 HydrophobicContact CG-CD2 3.91Å
186S94.3Very high88.6Confident6 Ų653.1 Ų53.14%0.04226%0.264CS..EExtended strand (participates in β ladder)trans-128.6134.7176.2177.60000110.2C167 E168 D205C167-S186 WeakPolarHBondContact O-CA 3.43Å; E168-S186 WeakPolarHBondContact CG-OG 3.08Å; E168-S186 WeakPolarHBondContact OE1-CB 3.34Å; E168-S186 PolarHBondContact OE1-OG 2.77Å; S186-D205 PolarHBondContact N-O 2.81Å; S186-D205 PolarHBondContact O-N 3.42Å
187V96.5Very high90.1Very high0 Ų049.4 Ų49.40%024%0.244CC..EExtended strand (participates in β ladder)trans-124.1125.8179.6177.30000108.5Q166 C167 L189 V202 T203 L204 V292 L300 V302Q166-V187 VanDerWaalsContact CA-O 3.29Å; Q166-V187 WeakPolarHBondContact CA-O 3.38Å; C167-V187 PolarHBondContact N-O 3.08Å; C167-V187 PolarHBondContact O-N 2.79Å; V187-L189 HydrophobicContact CG1-CD1 4.16Å; V187-V202 HydrophobicContact CG1-CG1 3.78Å; V187-T203 WeakPolarHBondContact CA-O 3.15Å; V187-L204 HydrophobicContact CG2-CD1 4.2Å; V187-V292 HydrophobicContact CG2-CB 4.27Å; V187-V292 HydrophobicContact CG2-CG2 3.62Å; V187-L300 HydrophobicContact CB-CD2 4.35Å; V187-L300 HydrophobicContact CG2-CD2 3.85Å; V187-L300 HydrophobicContact CG2-CG 4.49Å; V187-V302 HydrophobicContact CB-CG2 3.91Å; V187-V302 HydrophobicContact CG1-CG2 3.72Å
188R97.3Very high91Very high78 Ų7847.8 Ų47.829%0.29423%0.227SC..EExtended strand (participates in β ladder)trans-122.9137-179.1-70.5176-71159.3-1.2111L165 Q166 T203 E263L165-R188 CarbonylContact O-C 3.58Å; L165-R188 WeakPolarHBondContact O-CA 3.38Å; Q166-R188 HydrophobicContact CB-CG 4.03Å; Q166-R188 HydrophobicContact CG-CG 3.66Å; R188-T203 PolarHBondContact N-O 3.25Å; R188-T203 PolarHBondContact O-N 2.89Å; R188-E263 IonicContact CZ-OE2 2.76Å; R188-E263 IonicContact NH1-OE2 2.65Å; R188-E263 IonicContact NH2-OE2 3.38Å; R188-E263 PolarHBondContact NH2-OE2 3.14Å
189L97.7Very high92Very high6 Ų639.8 Ų39.83%0.03120%0.204CC..EExtended strand (participates in β ladder)trans-126.2143.9173.5-57.896.8000109.5L165 V187 Q191 F194 I200 V202 V290 V302 V304L165-L189 HydrophobicContact CB-CB 4.46Å; L165-L189 HydrophobicContact CB-CD1 4.14Å; L165-L189 PolarHBondContact N-O 2.81Å; L165-L189 VanDerWaalsContact N-O 3.12Å; L165-L189 PolarHBondContact O-N 3.01Å; V187-L189 HydrophobicContact CG1-CD1 4.16Å; L189-Q191 WeakPolarHBondContact CB-O 3.35Å; L189-Q191 PolarHBondContact O-N 2.8Å; L189-F194 HydrophobicContact CB-CZ 4.48Å; L189-F194 HydrophobicContact CD2-CE2 4.08Å; L189-F194 HydrophobicContact CD2-CZ 4.05Å; L189-I200 HydrophobicContact CD2-CG2 3.72Å; L189-V202 HydrophobicContact CD2-CG2 4.41Å; L189-V290 HydrophobicContact CD2-CG2 3.99Å; L189-V302 HydrophobicContact CD1-CB 4.04Å; L189-V302 HydrophobicContact CD1-CG1 3.58Å; L189-V302 HydrophobicContact CD1-CG2 4.28Å; L189-V304 HydrophobicContact CD2-CG1 3.85Å
190P95Very high93.1Very high74 Ų7432.5 Ų32.548%0.48118%0.176SC..SBendtrans-63.8-26.5179.726.4-34.8000112.6P164 M201P164-P190 WeakPolarHBondContact CA-O 3.23Å; P190-M201 VanDerWaalsContact CD-O 3.24Å; P190-M201 WeakPolarHBondContact CD-O 3.32Å
191Q94.9Very high94.1Very high43 Ų4331.1 Ų31.120%0.20117%0.168CC..  trans-154.3165.5176.961.4-165.244.900110.1K163 L189 A193 F194K163-Q191 CarbonylContact O-C 3.58Å; K163-Q191 VanDerWaalsContact O-CA 3.23Å; K163-Q191 WeakPolarHBondContact O-CA 3.15Å; L189-Q191 WeakPolarHBondContact CB-O 3.35Å; L189-Q191 PolarHBondContact O-N 2.8Å; Q191-A193 WeakPolarHBondContact CG-O 3.32Å; Q191-A193 PolarHBondContact NE2-O 2.88Å; Q191-F194 HydrophobicContact CG-CD1 4.11Å; Q191-F194 HydrophobicContact CG-CE1 3.56Å; Q191-F194 HydrophobicContact CG-CZ 3.8Å; Q191-F194 WeakPolarHBondContact O-CE2 3.46Å; Q191-F194 WeakPolarHBondContact O-CZ 3.41Å
192G95.8Very high95Very high0 Ų029.9 Ų29.90%016%0.163CC..SBendtrans-98.8-3.5178.200000115.9Q160 K163 V304 E305Q160-G192 PolarHBondContact O-N 2.91Å; Q160-G192 PolarHBondContact OE1-O 2.87Å; K163-G192 PolarHBondContact O-N 2.88Å; G192-V304 CarbonylContact O-C 3.47Å; G192-V304 WeakPolarHBondContact O-CA 3.41Å; G192-E305 PolarHBondContact O-N 2.9Å
193A96.9Very high95.6Very high0 Ų028.7 Ų28.70%016%0.157CC..EExtended strand (participates in β ladder)trans-131.6141.7177.800000111.9M155 L158 A161 Q191 E305M155-A193 HydrophobicContact SD-CB 3.36Å; M155-A193 WeakPolarHBondContact SD-CB 3.37Å; L158-A193 HydrophobicContact CB-CB 4.27Å; L158-A193 HydrophobicContact CD1-CB 3.76Å; A161-A193 HydrophobicContact CB-CB 4.39Å; Q191-A193 WeakPolarHBondContact CG-O 3.32Å; Q191-A193 PolarHBondContact NE2-O 2.88Å; A193-E305 CarbonylContact C-O 3.52Å; A193-E305 WeakPolarHBondContact CA-O 3.03Å; A193-E305 HydrophobicContact CB-CB 4.16Å
194F96.9Very high96Very high2 Ų228.6 Ų28.61%0.00916%0.157CC..EExtended strand (participates in β ladder)trans-137.5157-172.9-57.4-86.4000111.2L189 Q191 E198 I200 V270 V304 E305 I306 A307L189-F194 HydrophobicContact CB-CZ 4.48Å; L189-F194 HydrophobicContact CD2-CE2 4.08Å; L189-F194 HydrophobicContact CD2-CZ 4.05Å; Q191-F194 HydrophobicContact CG-CD1 4.11Å; Q191-F194 HydrophobicContact CG-CE1 3.56Å; Q191-F194 HydrophobicContact CG-CZ 3.8Å; Q191-F194 WeakPolarHBondContact O-CE2 3.46Å; Q191-F194 WeakPolarHBondContact O-CZ 3.41Å; F194-E198 WeakPolarHBondContact CA-OE2 3.27Å; F194-I200 HydrophobicContact CB-CD1 4.46Å; F194-I200 HydrophobicContact CB-CG1 4.29Å; F194-I200 HydrophobicContact CD1-CB 4.48Å; F194-I200 HydrophobicContact CD1-CG1 3.81Å; F194-I200 HydrophobicContact CD2-CD1 3.73Å; F194-I200 HydrophobicContact CD2-CG1 3.9Å; F194-I200 HydrophobicContact CE1-CB 4.28Å; F194-I200 HydrophobicContact CE1-CG1 4.06Å; F194-I200 HydrophobicContact CE1-CG2 3.94Å; F194-I200 HydrophobicContact CE2-CD1 4.07Å; F194-I200 HydrophobicContact CE2-CG1 4.17Å; F194-I200 HydrophobicContact CE2-CG2 3.95Å; F194-I200 HydrophobicContact CG-CD1 3.99Å; F194-I200 HydrophobicContact CG-CG1 3.72Å; F194-I200 HydrophobicContact CZ-CB 4.38Å; F194-I200 HydrophobicContact CZ-CG1 4.24Å; F194-I200 HydrophobicContact CZ-CG2 3.61Å; F194-V270 HydrophobicContact CB-CG2 4.44Å; F194-V304 HydrophobicContact CD2-CB 4.45Å; F194-V304 HydrophobicContact CE2-CB 4.34Å; F194-V304 HydrophobicContact CE2-CG1 4.16Å; F194-E305 PolarHBondContact N-O 2.86Å; F194-I306 HydrophobicContact CB-CD1 4.09Å; F194-I306 CarbonylContact O-C 3.53Å; F194-I306 VanDerWaalsContact O-CA 3.3Å; F194-I306 WeakPolarHBondContact O-CA 3.48Å; F194-A307 PolarHBondContact O-N 2.86Å
195L96.8Very high96.1Very high69 Ų6928.1 Ų28.136%0.36115%0.154SC..EExtended strand (participates in β ladder)trans-85150.1175.1-62.2173000111.3M155 G197 E198 A307 S308M155-L195 HydrophobicContact CE-CD2 4.13Å; M155-L195 HydrophobicContact CE-CG 4.06Å; L195-G197 PolarHBondContact O-N 3.06Å; L195-E198 HydrophobicContact CB-CB 4.25Å; L195-E198 PolarHBondContact N-OE2 3Å; L195-E198 WeakPolarHBondContact O-CB 3.24Å; L195-E198 PolarHBondContact O-N 2.93Å; L195-A307 HydrophobicContact CD2-CB 3.94Å; L195-S308 WeakPolarHBondContact CD2-O 3.5Å
196I97.3Very high95.9Very high24 Ų2428.5 Ų28.512%0.12316%0.156CC..THydrogen-bonded Turntrans-55131.5166.4-67.9169.6000109.6E198 V274 I306 A307 A309I196-E198 VanDerWaalsContact C-N 3.29Å; I196-V274 HydrophobicContact CD1-CG2 4.34Å; I196-V274 VanDerWaalsContact CD1-O 3.26Å; I196-V274 WeakPolarHBondContact CD1-O 3.33Å; I196-V274 HydrophobicContact CG1-CG2 3.9Å; I196-V274 HydrophobicContact CG2-CG2 4.4Å; I196-I306 HydrophobicContact CG1-CG2 3.61Å; I196-A307 WeakPolarHBondContact CG1-O 3.43Å; I196-A307 PolarHBondContact N-O 3.41Å; I196-A309 HydrophobicContact CB-CB 4.18Å; I196-A309 WeakPolarHBondContact O-CB 3.39Å
197G97.5Very high95.5Very high31 Ų3132.9 Ų32.932%0.3218%0.175SC..THydrogen-bonded Turntrans86.7-11-176.700000114.8L195 V270L195-G197 PolarHBondContact O-N 3.06Å; G197-V270 WeakPolarHBondContact CA-O 3.36Å; G197-V270 PolarHBondContact N-O 2.88Å
198E96.3Very high94.6Very high65 Ų6534.2 Ų34.230%0.30419%0.186SC..  trans-73163.3178.5-162.4175.8178.500112.1F194 L195 I196 V270F194-E198 WeakPolarHBondContact CA-OE2 3.27Å; L195-E198 HydrophobicContact CB-CB 4.25Å; L195-E198 PolarHBondContact N-OE2 3Å; L195-E198 WeakPolarHBondContact O-CB 3.24Å; L195-E198 PolarHBondContact O-N 2.93Å; I196-E198 VanDerWaalsContact C-N 3.29Å; E198-V270 PolarHBondContact O-N 2.82Å
199T97.9Very high93.4Very high60 Ų6035.7 Ų35.737%0.36819%0.194SC..EExtended strand (participates in β ladder)trans-106.2126.6171.5-57.50000110.1Q267 L268T199-Q267 HydrophobicContact CG2-CB 3.74Å; T199-Q267 HydrophobicContact CG2-CG 4.06Å; T199-L268 CarbonylContact C-O 3.54Å; T199-L268 WeakPolarHBondContact CA-O 3.41Å
200I97.8Very high91.8Very high0 Ų036.9 Ų36.90%021%0.208CC..EExtended strand (participates in β ladder)trans-91120.1177.3-54.3-179.4000108.6L189 F194 V202 L222 Q267 L268 V270L189-I200 HydrophobicContact CD2-CG2 3.72Å; F194-I200 HydrophobicContact CB-CD1 4.46Å; F194-I200 HydrophobicContact CB-CG1 4.29Å; F194-I200 HydrophobicContact CD1-CB 4.48Å; F194-I200 HydrophobicContact CD1-CG1 3.81Å; F194-I200 HydrophobicContact CD2-CD1 3.73Å; F194-I200 HydrophobicContact CD2-CG1 3.9Å; F194-I200 HydrophobicContact CE1-CB 4.28Å; F194-I200 HydrophobicContact CE1-CG1 4.06Å; F194-I200 HydrophobicContact CE1-CG2 3.94Å; F194-I200 HydrophobicContact CE2-CD1 4.07Å; F194-I200 HydrophobicContact CE2-CG1 4.17Å; F194-I200 HydrophobicContact CE2-CG2 3.95Å; F194-I200 HydrophobicContact CG-CD1 3.99Å; F194-I200 HydrophobicContact CG-CG1 3.72Å; F194-I200 HydrophobicContact CZ-CB 4.38Å; F194-I200 HydrophobicContact CZ-CG1 4.24Å; F194-I200 HydrophobicContact CZ-CG2 3.61Å; I200-V202 HydrophobicContact CG2-CG2 3.77Å; I200-L222 HydrophobicContact CD1-CD1 4.16Å; I200-L222 HydrophobicContact CD1-CD2 4.33Å; I200-Q267 WeakPolarHBondContact O-CA 3.29Å; I200-L268 HydrophobicContact CB-CB 4.33Å; I200-L268 PolarHBondContact N-O 2.66Å; I200-L268 PolarHBondContact O-N 2.99Å; I200-V270 HydrophobicContact CD1-CG2 3.79Å; I200-V270 HydrophobicContact CG1-CG2 3.92Å
201M97.9Very high90.1Very high73 Ų7345.3 Ų45.336%0.3623%0.23SC..EExtended strand (participates in β ladder)trans-85.2110.5170.6-56.9-57.9-57.700109.1P190 T265 Q267P190-M201 VanDerWaalsContact CD-O 3.24Å; P190-M201 WeakPolarHBondContact CD-O 3.32Å; M201-T265 HydrophobicContact CB-CG2 4.47Å; M201-T265 HydrophobicContact CE-CG2 3.58Å; M201-Q267 HydrophobicContact CE-CG 3.84Å; M201-Q267 HydrophobicContact SD-CG 3.64Å
202V97.9Very high88.2Confident1 Ų149.9 Ų49.91%0.00625%0.245CC..EExtended strand (participates in β ladder)trans-105.6119178.8-175.20000108.8V187 L189 I200 V220 T265 V266 L268 V290V187-V202 HydrophobicContact CG1-CG1 3.78Å; L189-V202 HydrophobicContact CD2-CG2 4.41Å; I200-V202 HydrophobicContact CG2-CG2 3.77Å; V202-V220 HydrophobicContact CB-CG1 4.32Å; V202-V220 HydrophobicContact CG1-CG1 4.01Å; V202-V220 HydrophobicContact CG2-CG1 4.47Å; V202-T265 CarbonylContact O-C 3.57Å; V202-T265 WeakPolarHBondContact O-CA 3.49Å; V202-V266 HydrophobicContact CB-CG2 3.95Å; V202-V266 PolarHBondContact N-O 3.35Å; V202-V266 PolarHBondContact O-N 3.37Å; V202-L268 HydrophobicContact CG2-CD1 3.92Å; V202-L268 HydrophobicContact CG2-CG 4.36Å; V202-V290 HydrophobicContact CG1-CG1 4.05Å; V202-V290 HydrophobicContact CG2-CG1 4.03Å; V202-V290 HydrophobicContact CG2-CG2 4.29Å
203T96.8Very high86.3Confident25 Ų2560.3 Ų60.315%0.15329%0.285CS..EExtended strand (participates in β ladder)trans-98.6119.6174.9-50.70000109.3V187 R188 E263 T265V187-T203 WeakPolarHBondContact CA-O 3.15Å; R188-T203 PolarHBondContact N-O 3.25Å; R188-T203 PolarHBondContact O-N 2.89Å; T203-E263 HydrophobicContact CG2-CG 3.77Å; T203-T265 PolarHBondContact OG1-OG1 2.9Å
204L93.7Very high84.2Confident2 Ų262.2 Ų62.21%0.0130%0.295CS..EExtended strand (participates in β ladder)trans-99.7130.7176.3-17776.9000109L185 V187 V206 A218 L254 E263 Q264 V292L185-L204 HydrophobicContact CD1-CD1 3.45Å; L185-L204 VanDerWaalsContact CD1-CD1 3.45Å; L185-L204 HydrophobicContact CD1-CG 4.38Å; V187-L204 HydrophobicContact CG2-CD1 4.2Å; L204-V206 HydrophobicContact CD1-CG2 4.14Å; L204-V206 HydrophobicContact CD2-CG2 3.65Å; L204-V206 HydrophobicContact CG-CG2 3.66Å; L204-A218 HydrophobicContact CD2-CB 4.01Å; L204-L254 HydrophobicContact CD2-CD2 4.06Å; L204-E263 CarbonylContact O-C 3.54Å; L204-E263 VanDerWaalsContact O-CA 3.31Å; L204-E263 WeakPolarHBondContact O-CA 3.28Å; L204-Q264 WeakPolarHBondContact CB-O 3.42Å; L204-Q264 PolarHBondContact N-O 3.43Å; L204-Q264 PolarHBondContact O-N 3.39Å; L204-V292 HydrophobicContact CD1-CG1 3.65Å; L204-V292 HydrophobicContact CD1-CG2 4.35Å
205D91.3Very high82.2Confident29 Ų2969.9 Ų69.916%0.15533%0.331CS..EExtended strand (participates in β ladder)trans-119.8120.4166.7175.2-29.2000107.8S186 N261 V262S186-D205 PolarHBondContact N-O 2.81Å; S186-D205 PolarHBondContact O-N 3.42Å; D205-N261 VanDerWaalsContact CG-ND2 3.32Å; D205-N261 VanDerWaalsContact OD1-CG 3.26Å; D205-N261 PolarHBondContact OD1-ND2 2.86Å; D205-N261 PolarHBondContact OD1-OD1 2.82Å; D205-N261 PolarHBondContact OD2-ND2 2.83Å; D205-N261 PolarHBondContact OD2-OD1 2.91Å; D205-V262 WeakPolarHBondContact CA-O 3.31Å
206V88Confident80.8Confident11 Ų1167.3 Ų67.37%0.06732%0.316CS..EExtended strand (participates in β ladder)trans-119.1122.1177.9-169.30000109.5V183 L185 L204 L254 V262V183-V206 HydrophobicContact CG1-CG1 3.94Å; L185-V206 HydrophobicContact CD1-CG2 3.87Å; L204-V206 HydrophobicContact CD1-CG2 4.14Å; L204-V206 HydrophobicContact CD2-CG2 3.65Å; L204-V206 HydrophobicContact CG-CG2 3.66Å; V206-L254 HydrophobicContact CB-CD1 4.44Å; V206-L254 HydrophobicContact CG1-CD1 4.24Å; V206-L254 HydrophobicContact CG2-CD1 4.06Å; V206-L254 HydrophobicContact CG2-CD2 4.04Å; V206-V262 PolarHBondContact N-O 2.7Å; V206-V262 PolarHBondContact O-N 2.92Å
207K85.4Confident80.2Confident97 Ų9769.9 Ų69.942%0.42233%0.33SS..EExtended strand (participates in β ladder)trans-119.5102.1175.2-174.3179.7-176.7174.90110.7D184D184-K207 HydrophobicContact CB-CB 4.22Å; D184-K207 PolarHBondContact N-O 2.94Å; D184-K207 PolarHBondContact O-N 3.12Å
208A78.4Confident79.8Confident28 Ų2868.4 Ų68.423%0.23132%0.315CS..EExtended strand (participates in β ladder)trans-87.3121.9171.900000111.1L214A208-L214 HydrophobicContact CB-CD1 4.3Å
209K71.5Confident79.7Confident110 Ų11067.2 Ų67.248%0.47831%0.314SS..EExtended strand (participates in β ladder)trans-97.384171.7-67.6167.5179.1151.40108.5N182 D184N182-K209 HydrophobicContact CB-CB 4.22Å; N182-K209 PolarHBondContact O-N 3.26Å; D184-K209 IonicContact OD1-NZ 3.51Å; D184-K209 PolarHBondContact OD1-NZ 2.94Å; D184-K209 WeakPolarHBondContact OD2-CE 2.97Å; D184-K209 IonicContact OD2-NZ 3.41Å; D184-K209 PolarHBondContact OD2-NZ 2.93Å
210G64.7Low79.7Confident31 Ų3164.4 Ų64.432%0.3230%0.296SS..SBendtrans-166159.8-178.700000113.7T258G210-T258 WeakPolarHBondContact O-CB 3.38Å
211R58.2Low79.7Confident250 Ų25064.8 Ų64.894%0.94330%0.3SS*.SBendtrans-92.9-5.7179.8-72.9-167.1-176.1-134.83.4114.3
212R55.2Low79.7Confident139 Ų13961.3 Ų61.353%0.52528%0.283SS..SBendtrans-108.4141.7-175.5-101.2-169.6172.4-173.3-3.3113.1L214 T258R212-L214 PolarHBondContact O-N 2.91Å; R212-T258 WeakPolarHBondContact O-CG2 3.35Å
213R55.5Low79.8Confident219 Ų21962 Ų6283%0.82629%0.287SS*.  trans-54.2117.8179-62.5-179.9-179-155.5-2.2110.3
214L53.5Low79.8Confident40 Ų4061.7 Ų61.721%0.20928%0.283CS..  trans-116.585.3175.6-82.8-174.2000106.5E181 A208 R212 R216E181-L214 WeakPolarHBondContact OE2-CD1 3.47Å; A208-L214 HydrophobicContact CB-CD1 4.3Å; R212-L214 PolarHBondContact O-N 2.91Å; L214-R216 HydrophobicContact CB-CG 3.93Å; L214-R216 HydrophobicContact CD2-CG 4.09Å; L214-R216 HydrophobicContact CG-CG 4.38Å; L214-R216 PolarHBondContact O-N 2.89Å
215Q54.9Low80Confident164 Ų16463.9 Ų63.977%0.76629%0.293SS*.  trans-73.391.6154.6-79.5-159.5-24.100105.4A256Q215-A256 HydrophobicContact CG-CB 3.78Å
216R67.7Low80.4Confident14 Ų1462.6 Ų62.65%0.05329%0.287CS..  trans-105139.2171.6-60.6-157.3-177.7173.28.2108E181 L214 L254 D295E181-R216 IonicContact OE2-NH2 3.63Å; E181-R216 PolarHBondContact OE2-NH2 2.85Å; L214-R216 HydrophobicContact CB-CG 3.93Å; L214-R216 HydrophobicContact CD2-CG 4.09Å; L214-R216 HydrophobicContact CG-CG 4.38Å; L214-R216 PolarHBondContact O-N 2.89Å; R216-L254 HydrophobicContact CB-CD1 4.29Å; R216-L254 VanDerWaalsContact O-CB 3.29Å; R216-L254 WeakPolarHBondContact O-CB 3.44Å; R216-L254 PolarHBondContact O-N 3.38Å; R216-L254 VanDerWaalsContact O-N 3.1Å; R216-D295 WeakPolarHBondContact CA-OD2 3.31Å; R216-D295 WeakPolarHBondContact CB-OD2 3.35Å; R216-D295 WeakPolarHBondContact CD-OD2 3.42Å; R216-D295 WeakPolarHBondContact CG-OD2 3.36Å; R216-D295 IonicContact NE-OD2 3.41Å
217N84.5Confident80.8Confident79 Ų7963.8 Ų63.842%0.42229%0.292SS..EExtended strand (participates in β ladder)trans-92.1130.1166.4-69.7-17.2000107.1T251 V252 D295N217-T251 HydrophobicContact CB-CG2 3.95Å; N217-V252 CarbonylContact C-O 3.55Å; N217-V252 WeakPolarHBondContact CA-O 3.4Å; N217-D295 PolarHBondContact N-OD1 3.17Å; N217-D295 PolarHBondContact O-N 3.05Å
218A89.2Confident81.5Confident0 Ų059.1 Ų59.10%027%0.272CS..EExtended strand (participates in β ladder)trans-91.9136.6164.400000108.1L204 T251 V252 L254 D293 L294L204-A218 HydrophobicContact CD2-CB 4.01Å; A218-T251 CarbonylContact O-C 3.52Å; A218-T251 WeakPolarHBondContact O-CA 3.39Å; A218-V252 HydrophobicContact CB-CB 4.16Å; A218-V252 PolarHBondContact N-O 2.76Å; A218-V252 PolarHBondContact O-N 3.13Å; A218-L254 HydrophobicContact CB-CD1 4.27Å; A218-L254 HydrophobicContact CB-CG 4.43Å; A218-D293 CarbonylContact C-O 3.51Å; A218-D293 VanDerWaalsContact CA-O 3.3Å; A218-D293 WeakPolarHBondContact CA-O 3.41Å; A218-L294 HydrophobicContact CB-CD2 3.59Å
219S94.3Very high82.4Confident39 Ų3962.4 Ų62.427%0.27328%0.279SS..EExtended strand (participates in β ladder)trans-105.2132.7164.682.70000108.6V250 V292 D293S219-V250 WeakPolarHBondContact CA-O 3.48Å; S219-V292 CarbonylContact O-C 3.56Å; S219-V292 VanDerWaalsContact O-CA 3.3Å; S219-V292 WeakPolarHBondContact O-CA 3.22Å; S219-D293 PolarHBondContact N-O 2.82Å; S219-D293 PolarHBondContact O-N 3.23Å
220V96.9Very high83.6Confident1 Ų157.3 Ų57.31%0.00626%0.258CS..EExtended strand (participates in β ladder)trans-119.2123.3177.1-171.30000106.4V202 A249 V250 V252 V266 L268 V290 K291 V292V202-V220 HydrophobicContact CB-CG1 4.32Å; V202-V220 HydrophobicContact CG1-CG1 4.01Å; V202-V220 HydrophobicContact CG2-CG1 4.47Å; V220-A249 CarbonylContact O-C 3.54Å; V220-A249 VanDerWaalsContact O-CA 3.3Å; V220-A249 WeakPolarHBondContact O-CA 3.34Å; V220-V250 PolarHBondContact N-O 2.9Å; V220-V250 PolarHBondContact O-N 2.88Å; V220-V252 HydrophobicContact CG2-CG2 4.32Å; V220-V266 HydrophobicContact CB-CG2 4.04Å; V220-V266 HydrophobicContact CG1-CG2 3.92Å; V220-V266 HydrophobicContact CG2-CG2 4.06Å; V220-L268 HydrophobicContact CG1-CD1 3.99Å; V220-L268 HydrophobicContact CG1-CG 4.5Å; V220-V290 HydrophobicContact CG1-CG1 4.04Å; V220-K291 CarbonylContact C-O 3.55Å; V220-K291 WeakPolarHBondContact CA-O 3.34Å; V220-V292 HydrophobicContact CG1-CG2 4.1Å; V220-V292 HydrophobicContact CG2-CG2 4.27Å
221A98.1Very high85Confident9 Ų961.2 Ų61.27%0.07427%0.268CS..EExtended strand (participates in β ladder)trans-135.1142.8-174.800000112.4I223 D248 A249 V290 K291A221-I223 HydrophobicContact CB-CD1 3.75Å; A221-I223 HydrophobicContact CB-CG1 4.38Å; A221-D248 CarbonylContact C-O 3.6Å; A221-D248 VanDerWaalsContact CA-O 3.27Å; A221-D248 WeakPolarHBondContact CA-O 3.27Å; A221-A249 HydrophobicContact CB-CB 3.91Å; A221-V290 CarbonylContact O-C 3.59Å; A221-V290 WeakPolarHBondContact O-CA 3.41Å; A221-K291 PolarHBondContact N-O 2.87Å; A221-K291 PolarHBondContact O-N 2.65Å
222L98.7Very high86.7Confident0 Ų049.8 Ų49.80%023%0.226CC..EExtended strand (participates in β ladder)trans-88.1119165177.262.1000108I200 L247 D248 L268 V270 V304I200-L222 HydrophobicContact CD1-CD1 4.16Å; I200-L222 HydrophobicContact CD1-CD2 4.33Å; L222-L247 HydrophobicContact CD2-CB 4.32Å; L222-L247 HydrophobicContact CD2-CD1 4.2Å; L222-L247 HydrophobicContact CG-CB 4.28Å; L222-L247 HydrophobicContact CG-CD1 4.27Å; L222-L247 PolarHBondContact O-N 2.72Å; L222-D248 PolarHBondContact N-O 2.86Å; L222-L268 HydrophobicContact CB-CB 4.44Å; L222-L268 HydrophobicContact CB-CD1 4.1Å; L222-V270 HydrophobicContact CD2-CB 4.43Å; L222-V270 HydrophobicContact CD2-CG2 4.01Å; L222-V304 HydrophobicContact CD1-CG2 4.16Å
223I98.6Very high88.1Confident16 Ų1649.8 Ų49.88%0.08224%0.236CC..EExtended strand (participates in β ladder)trans-111.8128.7-177.3-53.6-57.7000109.5A221 K245 A246 Y288 K289 K291A221-I223 HydrophobicContact CB-CD1 3.75Å; A221-I223 HydrophobicContact CB-CG1 4.38Å; I223-K245 WeakPolarHBondContact CA-O 3.3Å; I223-A246 HydrophobicContact CD1-CB 3.76Å; I223-Y288 VanDerWaalsContact O-CA 3.27Å; I223-Y288 WeakPolarHBondContact O-CA 3.17Å; I223-K289 HydrophobicContact CB-CG 3.89Å; I223-K289 HydrophobicContact CG1-CG 4.48Å; I223-K289 HydrophobicContact CG2-CG 4.46Å; I223-K289 PolarHBondContact N-O 2.91Å; I223-K289 PolarHBondContact O-N 2.8Å; I223-K291 HydrophobicContact CG1-CB 3.82Å; I223-K291 HydrophobicContact CG1-CD 4.45Å
224Q98.4Very high89.5Confident17 Ų1746.9 Ų46.98%0.07923%0.232CC..EExtended strand (participates in β ladder)trans-85.1125.5160.5-175.5-179.648.900108.4S244 K245 L247 V286 Y288Q224-S244 CarbonylContact O-C 3.55Å; Q224-S244 WeakPolarHBondContact O-CA 3.36Å; Q224-K245 PolarHBondContact N-O 3.21Å; Q224-K245 PolarHBondContact O-N 3.34Å; Q224-L247 HydrophobicContact CB-CD1 3.96Å; Q224-L247 HydrophobicContact CB-CD2 4.09Å; Q224-L247 HydrophobicContact CB-CG 3.97Å; Q224-V286 HydrophobicContact CG-CG1 3.88Å; Q224-Y288 HydrophobicContact CB-CD1 4Å; Q224-Y288 HydrophobicContact CB-CE1 3.59Å; Q224-Y288 HydrophobicContact CG-CD1 4.26Å; Q224-Y288 HydrophobicContact CG-CE1 3.56Å; Q224-Y288 PolarHBondContact NE2-OH 3.37Å
225E97.9Very high90.8Very high48 Ų4847.2 Ų47.222%0.22424%0.244CC..EExtended strand (participates in β ladder)trans-114.7125.5175.2-168.1173.4139.900109.1T242 T243 V286 R287 K289E225-T242 HydrophobicContact CG-CG2 3.31Å; E225-T242 VanDerWaalsContact OE1-CG2 3.28Å; E225-T242 WeakPolarHBondContact OE1-CG2 3.41Å; E225-T243 WeakPolarHBondContact CA-O 3.43Å; E225-V286 WeakPolarHBondContact O-CA 3.29Å; E225-R287 PolarHBondContact N-O 3.03Å; E225-R287 PolarHBondContact O-N 2.86Å; E225-K289 VanDerWaalsContact OE2-CE 3.31Å; E225-K289 WeakPolarHBondContact OE2-CE 3.42Å; E225-K289 IonicContact OE2-NZ 3.41Å; E225-K289 PolarHBondContact OE2-NZ 2.93Å
226A98.2Very high92.3Very high2 Ų244.6 Ų44.62%0.01724%0.24CC..EExtended strand (participates in β ladder)trans-111.2123.2171.700000109.1F107 F228 T242 T243 V285F107-A226 HydrophobicContact CE1-CB 3.71Å; F107-A226 HydrophobicContact CE2-CB 4.46Å; F107-A226 HydrophobicContact CZ-CB 3.46Å; F107-A226 VanDerWaalsContact CZ-CB 3.46Å; A226-F228 HydrophobicContact CB-CE1 4.5Å; A226-F228 HydrophobicContact CB-CE2 3.68Å; A226-F228 HydrophobicContact CB-CZ 3.54Å; A226-F228 WeakPolarHBondContact O-CD2 3.48Å; A226-F228 WeakPolarHBondContact O-CE2 3.38Å; A226-T242 CarbonylContact O-C 3.43Å; A226-T242 WeakPolarHBondContact O-CA 3.34Å; A226-T243 PolarHBondContact N-O 2.85Å; A226-T243 PolarHBondContact O-N 3.49Å; A226-V285 WeakPolarHBondContact CA-O 3.26Å
227L98Very high93.6Very high36 Ų3647 Ų4719%0.18826%0.256CS..EExtended strand (participates in β ladder)trans-103.4128.4177.8-178.161.9000108.8Y229 N240 T242 I284 V285L227-Y229 HydrophobicContact CD2-CE1 4.35Å; L227-Y229 HydrophobicContact CD2-CE2 3.62Å; L227-Y229 VanDerWaalsContact CD2-CZ 3.41Å; L227-Y229 WeakPolarHBondContact CD2-OH 3.32Å; L227-Y229 HydrophobicContact CG-CD2 4.36Å; L227-Y229 HydrophobicContact CG-CE2 3.67Å; L227-N240 HydrophobicContact CD1-CB 4.26Å; L227-T242 WeakPolarHBondContact CD1-OG1 3.41Å; L227-I284 WeakPolarHBondContact O-CA 2.85Å; L227-V285 HydrophobicContact CB-CB 4.48Å; L227-V285 PolarHBondContact N-O 2.87Å; L227-V285 PolarHBondContact O-N 3.22Å
228F98.4Very high94Very high0 Ų048.1 Ų48.10%027%0.27CS..EExtended strand (participates in β ladder)trans-116.9130.6-177.6-51.3-96.5000108.8T51 W53 F107 A109 F111 A226 N240 R241 T243 L283 I284T51-F228 HydrophobicContact CG2-CB 3.99Å; T51-F228 HydrophobicContact CG2-CD1 4.11Å; W53-F228 HydrophobicContact CH2-CB 4.16Å; W53-F228 HydrophobicContact CZ3-CB 3.78Å; F107-F228 AromaticContact CE1-CE1 3.98Å; F107-F228 HydrophobicContact CE1-CE1 3.98Å; F107-F228 AromaticContact CE1-CZ 3.83Å; F107-F228 HydrophobicContact CE1-CZ 3.83Å; A109-F228 HydrophobicContact CB-CE1 4.12Å; A109-F228 HydrophobicContact CB-CZ 3.58Å; F111-F228 HydrophobicContact CB-CB 4.17Å; F111-F228 HydrophobicContact CB-CD1 3.97Å; F111-F228 HydrophobicContact CB-CD2 3.88Å; F111-F228 HydrophobicContact CB-CE1 4.38Å; F111-F228 HydrophobicContact CB-CE2 4.31Å; F111-F228 HydrophobicContact CB-CG 3.73Å; F111-F228 AromaticContact CD2-CD2 3.98Å; F111-F228 HydrophobicContact CD2-CD2 3.98Å; F111-F228 HydrophobicContact CD2-CE2 4.17Å; F111-F228 HydrophobicContact CG-CD2 4.44Å; A226-F228 HydrophobicContact CB-CE1 4.5Å; A226-F228 HydrophobicContact CB-CE2 3.68Å; A226-F228 HydrophobicContact CB-CZ 3.54Å; A226-F228 WeakPolarHBondContact O-CD2 3.48Å; A226-F228 WeakPolarHBondContact O-CE2 3.38Å; F228-N240 CarbonylContact O-C 3.58Å; F228-N240 WeakPolarHBondContact O-CA 3.22Å; F228-N240 WeakPolarHBondContact O-CB 3.48Å; F228-R241 HydrophobicContact CB-CB 4.47Å; F228-R241 HydrophobicContact CD2-CB 4.47Å; F228-R241 WeakPolarHBondContact CD2-O 3.25Å; F228-R241 PolarHBondContact N-O 2.86Å; F228-R241 PolarHBondContact O-N 2.78Å; F228-T243 HydrophobicContact CE2-CG2 3.8Å; F228-T243 WeakPolarHBondContact CE2-OG1 3.1Å; F228-T243 HydrophobicContact CZ-CG2 4.41Å; F228-L283 CarbonylContact C-O 3.52Å; F228-L283 WeakPolarHBondContact CA-O 3.3Å; F228-I284 HydrophobicContact CD1-CD1 4.05Å; F228-I284 HydrophobicContact CD1-CG1 3.86Å; F228-I284 HydrophobicContact CD1-CG2 4.18Å; F228-I284 HydrophobicContact CE1-CD1 4.17Å; F228-I284 HydrophobicContact CE1-CG1 4.31Å; F228-I284 HydrophobicContact CE1-CG2 3.98Å
229Y97.5Very high94.3Very high96 Ų9649.7 Ų49.738%0.37628%0.281SS..EExtended strand (participates in β ladder)trans-113.1138.5174.2-61.9-86.9000109.4T51 L227 N240 G282 L283 V285T51-Y229 WeakPolarHBondContact CB-O 3.35Å; T51-Y229 WeakPolarHBondContact CG2-O 2.93Å; T51-Y229 PolarHBondContact OG1-O 2.81Å; L227-Y229 HydrophobicContact CD2-CE1 4.35Å; L227-Y229 HydrophobicContact CD2-CE2 3.62Å; L227-Y229 VanDerWaalsContact CD2-CZ 3.41Å; L227-Y229 WeakPolarHBondContact CD2-OH 3.32Å; L227-Y229 HydrophobicContact CG-CD2 4.36Å; L227-Y229 HydrophobicContact CG-CE2 3.67Å; Y229-N240 HydrophobicContact CD1-CB 4.02Å; Y229-N240 HydrophobicContact CE1-CB 4.29Å; Y229-G282 WeakPolarHBondContact CD2-O 3.49Å; Y229-L283 PolarHBondContact N-O 2.85Å; Y229-V285 HydrophobicContact CE2-CG2 4.29Å
230A97Very high94.5Very high4 Ų452.2 Ų52.23%0.03329%0.291CS..EExtended strand (participates in β ladder)trans-148.3151.9174.500000111.2T51 W53 F62 T64 S238 S239T51-A230 WeakPolarHBondContact OG1-CB 3.47Å; W53-A230 HydrophobicContact CE3-CB 4.45Å; W53-A230 HydrophobicContact CH2-CB 3.31Å; W53-A230 HydrophobicContact CZ2-CB 3.66Å; W53-A230 HydrophobicContact CZ3-CB 3.76Å; F62-A230 HydrophobicContact CB-CB 3.77Å; F62-A230 HydrophobicContact CD1-CB 4.46Å; T64-A230 WeakPolarHBondContact OG1-CA 3.47Å; A230-S238 WeakPolarHBondContact O-CA 3.24Å; A230-S239 PolarHBondContact N-O 2.82Å; A230-S239 PolarHBondContact O-N 2.84Å
231Q95.1Very high94.5Very high112 Ų11256.6 Ų56.652%0.52331%0.308SS..EExtended strand (participates in β ladder)trans-102.9152.6168.8-63.6-178.4-2.600109.8D63 T64 T237D63-Q231 PolarHBondContact N-O 2.92Å; T64-Q231 PolarHBondContact OG1-N 3.36Å; T64-Q231 PolarHBondContact OG1-O 2.88Å; Q231-T237 WeakPolarHBondContact CA-O 3.03Å
232S92.9Very high94.5Very high10 Ų1059.2 Ų59.27%0.0732%0.323CS..BIsolated β-bridgetrans-66.4160.7168.963.40000110.8I61 H234 G235 T236 T237I61-S232 WeakPolarHBondContact O-CA 3.23Å; S232-H234 PolarHBondContact O-N 2.7Å; S232-G235 PolarHBondContact O-N 2.85Å; S232-T236 PolarHBondContact OG-N 2.84Å; S232-T236 PolarHBondContact OG-OG1 3.07Å; S232-T237 VanDerWaalsContact CB-OG1 3.28Å; S232-T237 WeakPolarHBondContact CB-OG1 3.37Å; S232-T237 PolarHBondContact N-O 2.68Å; S232-T237 PolarHBondContact OG-N 2.8Å; S232-T237 PolarHBondContact OG-O 3.41Å; S232-T237 PolarHBondContact OG-OG1 3.29Å; S232-T237 VanDerWaalsContact OG-OG1 3.07Å
233L85.2Confident94.4Very high140 Ų14060.8 Ų60.873%0.73333%0.332SS*.THydrogen-bonded Turntrans-54-31.1-177.2-172.567.2000113.8
234H84.2Confident94.4Very high158 Ų15863.7 Ų63.773%0.73135%0.354SS*.THydrogen-bonded Turntrans-94.73.1179-59.3-57.1000113.6S232 T236S232-H234 PolarHBondContact O-N 2.7Å; H234-T236 HydrophobicContact CB-CG2 4.01Å; H234-T236 PolarHBondContact O-N 2.99Å; H234-T236 VanDerWaalsContact O-N 3.17Å
235G81.8Confident94.3Very high46 Ų4669.1 Ų69.147%0.47438%0.378SS..SBendtrans65.513.3-178.500000114.3S232S232-G235 PolarHBondContact O-N 2.85Å
236T86.7Confident94.3Very high110 Ų11069.8 Ų69.868%0.67539%0.391SS*.SBendtrans-82.8-24.1-174.453.60000112.9S232 H234S232-T236 PolarHBondContact OG-N 2.84Å; S232-T236 PolarHBondContact OG-OG1 3.07Å; H234-T236 HydrophobicContact CB-CG2 4.01Å; H234-T236 PolarHBondContact O-N 2.99Å; H234-T236 VanDerWaalsContact O-N 3.17Å
237T93.1Very high94.3Very high65 Ų6571.2 Ų71.240%0.39940%0.398SS..  trans-138.6148.8-177.654.60000109.9Q231 S232Q231-T237 WeakPolarHBondContact CA-O 3.03Å; S232-T237 VanDerWaalsContact CB-OG1 3.28Å; S232-T237 WeakPolarHBondContact CB-OG1 3.37Å; S232-T237 PolarHBondContact N-O 2.68Å; S232-T237 PolarHBondContact OG-N 2.8Å; S232-T237 PolarHBondContact OG-O 3.41Å; S232-T237 PolarHBondContact OG-OG1 3.29Å; S232-T237 VanDerWaalsContact OG-OG1 3.07Å
238S94.3Very high94.4Very high101 Ų10172 Ų7271%0.70640%0.403SS*.EExtended strand (participates in β ladder)trans-119.7153.317260.10000109.7A230A230-S238 WeakPolarHBondContact O-CA 3.24Å
239S96.1Very high94.3Very high33 Ų3374.9 Ų74.923%0.23143%0.427CS..EExtended strand (participates in β ladder)trans-145.1156.7178.2-179.60000108.9F62 A230F62-S239 VanDerWaalsContact CZ-CB 3.47Å; A230-S239 PolarHBondContact N-O 2.82Å; A230-S239 PolarHBondContact O-N 2.84Å
240N96.6Very high94.3Very high92 Ų9272.4 Ų72.449%0.49242%0.421SS..EExtended strand (participates in β ladder)trans-127.3156.5169.461.616.8000111.2L227 F228 Y229L227-N240 HydrophobicContact CD1-CB 4.26Å; F228-N240 CarbonylContact O-C 3.58Å; F228-N240 WeakPolarHBondContact O-CA 3.22Å; F228-N240 WeakPolarHBondContact O-CB 3.48Å; Y229-N240 HydrophobicContact CD1-CB 4.02Å; Y229-N240 HydrophobicContact CE1-CB 4.29Å
241R97.6Very high94.2Very high94 Ų9477 Ų7736%0.35545%0.449SS..EExtended strand (participates in β ladder)trans-134.5154.4172.2-69.3-68.6-175.2175.6-3.1108.6W53 F111 F228W53-R241 HydrophobicContact CD2-CG 3.72Å; W53-R241 HydrophobicContact CE3-CG 4.06Å; W53-R241 HydrophobicContact CG-CG 4.17Å; W53-R241 HydrophobicContact CH2-CB 4.42Å; W53-R241 HydrophobicContact CH2-CG 4.18Å; W53-R241 HydrophobicContact CZ2-CG 3.88Å; W53-R241 HydrophobicContact CZ3-CB 4.43Å; W53-R241 HydrophobicContact CZ3-CG 4.26Å; F111-R241 HydrophobicContact CB-CB 4.36Å; F111-R241 HydrophobicContact CD1-CB 4.46Å; F111-R241 HydrophobicContact CD1-CG 4.28Å; F111-R241 HydrophobicContact CD2-CB 3.43Å; F111-R241 VanDerWaalsContact CD2-CB 3.43Å; F111-R241 HydrophobicContact CD2-CG 4.08Å; F111-R241 HydrophobicContact CE1-CG 4.42Å; F111-R241 HydrophobicContact CE2-CB 3.77Å; F111-R241 HydrophobicContact CE2-CG 4.22Å; F111-R241 HydrophobicContact CG-CB 3.83Å; F111-R241 HydrophobicContact CG-CG 4.13Å; F111-R241 HydrophobicContact CZ-CB 4.43Å; F111-R241 HydrophobicContact CZ-CG 4.39Å; F228-R241 HydrophobicContact CB-CB 4.47Å; F228-R241 HydrophobicContact CD2-CB 4.47Å; F228-R241 WeakPolarHBondContact CD2-O 3.25Å; F228-R241 PolarHBondContact N-O 2.86Å; F228-R241 PolarHBondContact O-N 2.78Å
242T97.7Very high93.9Very high64 Ų6471.8 Ų71.839%0.39343%0.425SS..EExtended strand (participates in β ladder)trans-129.7136.6176.6-57.80000108.7E225 A226 L227E225-T242 HydrophobicContact CG-CG2 3.31Å; E225-T242 VanDerWaalsContact OE1-CG2 3.28Å; E225-T242 WeakPolarHBondContact OE1-CG2 3.41Å; A226-T242 CarbonylContact O-C 3.43Å; A226-T242 WeakPolarHBondContact O-CA 3.34Å; L227-T242 WeakPolarHBondContact CD1-OG1 3.41Å
243T97.9Very high93.5Very high32 Ų3278.8 Ų78.820%0.19646%0.456CS..EExtended strand (participates in β ladder)trans-116.4138.3165.461.40000109.4E110 F111 E225 A226 F228E110-T243 HydrophobicContact CB-CG2 4.43Å; F111-T243 HydrophobicContact CD2-CG2 3.59Å; F111-T243 HydrophobicContact CE2-CG2 3.62Å; E225-T243 WeakPolarHBondContact CA-O 3.43Å; A226-T243 PolarHBondContact N-O 2.85Å; A226-T243 PolarHBondContact O-N 3.49Å; F228-T243 HydrophobicContact CE2-CG2 3.8Å; F228-T243 WeakPolarHBondContact CE2-OG1 3.1Å; F228-T243 HydrophobicContact CZ-CG2 4.41Å
244S97.4Very high93.2Very high78 Ų7872.9 Ų72.955%0.54543%0.426SS..EExtended strand (participates in β ladder)trans-119.3134.6177.1-62.90000109.6Q224Q224-S244 CarbonylContact O-C 3.55Å; Q224-S244 WeakPolarHBondContact O-CA 3.36Å
245K97.6Very high92.6Very high131 Ų13168.7 Ų68.757%0.5741%0.413SS*.EExtended strand (participates in β ladder)trans-130.2122.4176.7-179.5-177.3176.9-175.30109.5I223 Q224 L247I223-K245 WeakPolarHBondContact CA-O 3.3Å; Q224-K245 PolarHBondContact N-O 3.21Å; Q224-K245 PolarHBondContact O-N 3.34Å; K245-L247 HydrophobicContact CD-CD2 4.32Å; K245-L247 HydrophobicContact CG-CD2 4.47Å; K245-L247 PolarHBondContact O-N 2.75Å
246A98Very high91.8Very high61 Ų6168.2 Ų68.250%0.50440%0.404SS..EExtended strand (participates in β ladder)trans-68.4123.1168.500000109.5I223I223-A246 HydrophobicContact CD1-CB 3.76Å
247L98.2Very high90.7Very high32 Ų3268.3 Ų68.317%0.16840%0.4CS..EExtended strand (participates in β ladder)trans-92.1-37177.5-65.4-175000111.8L222 Q224 K245 P271 V274 Y288L222-L247 HydrophobicContact CD2-CB 4.32Å; L222-L247 HydrophobicContact CD2-CD1 4.2Å; L222-L247 HydrophobicContact CG-CB 4.28Å; L222-L247 HydrophobicContact CG-CD1 4.27Å; L222-L247 PolarHBondContact O-N 2.72Å; Q224-L247 HydrophobicContact CB-CD1 3.96Å; Q224-L247 HydrophobicContact CB-CD2 4.09Å; Q224-L247 HydrophobicContact CB-CG 3.97Å; K245-L247 HydrophobicContact CD-CD2 4.32Å; K245-L247 HydrophobicContact CG-CD2 4.47Å; K245-L247 PolarHBondContact O-N 2.75Å; L247-P271 HydrophobicContact CB-CG 4Å; L247-V274 HydrophobicContact CD1-CG1 3.88Å; L247-V274 HydrophobicContact CD2-CG1 4.14Å; L247-Y288 HydrophobicContact CD1-CD1 3.98Å; L247-Y288 HydrophobicContact CD1-CE1 3.63Å
248D98.4Very high88.8Confident52 Ų5267.8 Ų67.828%0.27840%0.397SS..EExtended strand (participates in β ladder)trans-153.3152.2173.8-167.920.3000108.9A221 L222 L268 K269A221-D248 CarbonylContact C-O 3.6Å; A221-D248 VanDerWaalsContact CA-O 3.27Å; A221-D248 WeakPolarHBondContact CA-O 3.27Å; L222-D248 PolarHBondContact N-O 2.86Å; D248-L268 HydrophobicContact CB-CD2 4.48Å; D248-L268 WeakPolarHBondContact OD2-CA 3.44Å; D248-K269 PolarHBondContact OD2-N 2.87Å
249A97.7Very high87.3Confident61 Ų6166 Ų6650%0.50440%0.395SS..EExtended strand (participates in β ladder)trans-153.2142.5-179.900000111.9V220 A221V220-A249 CarbonylContact O-C 3.54Å; V220-A249 VanDerWaalsContact O-CA 3.3Å; V220-A249 WeakPolarHBondContact O-CA 3.34Å; A221-A249 HydrophobicContact CB-CB 3.91Å
250V96.9Very high85.9Confident44 Ų4470.8 Ų70.827%0.26741%0.414SS..EExtended strand (participates in β ladder)trans-128.2135.3177.3-179.60000108.9S219 V220 V252 V266 Q267 L268S219-V250 WeakPolarHBondContact CA-O 3.48Å; V220-V250 PolarHBondContact N-O 2.9Å; V220-V250 PolarHBondContact O-N 2.88Å; V250-V252 HydrophobicContact CG1-CG2 4.47Å; V250-V266 HydrophobicContact CG1-CB 4.45Å; V250-V266 HydrophobicContact CG1-CG1 4.28Å; V250-Q267 WeakPolarHBondContact CG2-O 3.41Å; V250-L268 HydrophobicContact CG2-CD2 4.07Å
251T94.3Very high85.1Confident100 Ų10070.5 Ų70.561%0.61341%0.412SS*.EExtended strand (participates in β ladder)trans-95.4136.4169.6-52.80000109.6N217 A218N217-T251 HydrophobicContact CB-CG2 3.95Å; A218-T251 CarbonylContact O-C 3.52Å; A218-T251 WeakPolarHBondContact O-CA 3.39Å
252V89.8Confident84.4Confident3 Ų367.2 Ų67.22%0.01840%0.403CS..EExtended strand (participates in β ladder)trans-120.4121.1-176.9170.90000108.4N217 A218 V220 V250 L254 Q264 V266N217-V252 CarbonylContact C-O 3.55Å; N217-V252 WeakPolarHBondContact CA-O 3.4Å; A218-V252 HydrophobicContact CB-CB 4.16Å; A218-V252 PolarHBondContact N-O 2.76Å; A218-V252 PolarHBondContact O-N 3.13Å; V220-V252 HydrophobicContact CG2-CG2 4.32Å; V250-V252 HydrophobicContact CG1-CG2 4.47Å; V252-L254 HydrophobicContact CG1-CD2 4.02Å; V252-L254 PolarHBondContact O-N 3.47Å; V252-Q264 HydrophobicContact CG1-CG 4.27Å; V252-V266 HydrophobicContact CG2-CG1 3.37Å
253E84.4Confident84.1Confident157 Ų15769.8 Ų69.873%0.73441%0.41SS*.EExtended strand (participates in β ladder)trans-80.6114.6171.4-64.6-177.2179.700109.2
254L79.2Confident83.8Confident16 Ų1671.3 Ų71.38%0.08442%0.415CS..  trans-81.8137.8175.2-61173.4000110.1L204 V206 R216 A218 V252 A256 V262 L294L204-L254 HydrophobicContact CD2-CD2 4.06Å; V206-L254 HydrophobicContact CB-CD1 4.44Å; V206-L254 HydrophobicContact CG1-CD1 4.24Å; V206-L254 HydrophobicContact CG2-CD1 4.06Å; V206-L254 HydrophobicContact CG2-CD2 4.04Å; R216-L254 HydrophobicContact CB-CD1 4.29Å; R216-L254 VanDerWaalsContact O-CB 3.29Å; R216-L254 WeakPolarHBondContact O-CB 3.44Å; R216-L254 PolarHBondContact O-N 3.38Å; R216-L254 VanDerWaalsContact O-N 3.1Å; A218-L254 HydrophobicContact CB-CD1 4.27Å; A218-L254 HydrophobicContact CB-CG 4.43Å; V252-L254 HydrophobicContact CG1-CD2 4.02Å; V252-L254 PolarHBondContact O-N 3.47Å; L254-A256 PolarHBondContact O-N 2.95Å; L254-V262 HydrophobicContact CD2-CG1 4.21Å; L254-L294 HydrophobicContact CD1-CD2 3.9Å
255P71.5Confident83.7Confident71 Ų7170.8 Ų70.846%0.46141%0.409SS..  trans-55.6140.1174.8-15.323.8000111.3D257 V262P255-D257 PolarHBondContact O-N 2.75Å; P255-V262 HydrophobicContact CB-CG2 4.45Å; P255-V262 VanDerWaalsContact CD-CG1 3.46Å; P255-V262 HydrophobicContact CG-CB 4.48Å; P255-V262 HydrophobicContact CG-CG1 3.81Å; P255-V262 HydrophobicContact CG-CG2 3.81Å
256A63.7Low83.7Confident36 Ų3665.2 Ų65.230%0.29839%0.386SS..  trans-72.6-9.4-179.200000114.2Q215 L254 T258Q215-A256 HydrophobicContact CG-CB 3.78Å; L254-A256 PolarHBondContact O-N 2.95Å; A256-T258 PolarHBondContact O-N 3.39Å
257D64Low83.7Confident111 Ų11168.1 Ų68.159%0.59439%0.389SS*.  trans-79.8118.5-167.7-152.910000111.8P255P255-D257 PolarHBondContact O-N 2.75Å
258T53.2Low83.7Confident54 Ų5466.6 Ų66.633%0.33138%0.381SS..THydrogen-bonded Turntrans-81122.6-171.440.20000111.8G210 R212 A256G210-T258 WeakPolarHBondContact O-CB 3.38Å; R212-T258 WeakPolarHBondContact O-CG2 3.35Å; A256-T258 PolarHBondContact O-N 3.39Å
259G62.6Low83.7Confident65 Ų6569.7 Ų69.767%0.6739%0.392SS*.THydrogen-bonded Turntrans113.9-5.8169.200000115.5
260Q68Low83.7Confident133 Ų13366.8 Ų66.862%0.62137%0.368SS*.SBendtrans-94.4147.9171.1-67.5-173.88.400111
261N78.7Confident83.7Confident85 Ų8566.5 Ų66.546%0.45537%0.367SS..EExtended strand (participates in β ladder)trans-69.6127.1163179.3-9.7000107.4D205D205-N261 VanDerWaalsContact CG-ND2 3.32Å; D205-N261 VanDerWaalsContact OD1-CG 3.26Å; D205-N261 PolarHBondContact OD1-ND2 2.86Å; D205-N261 PolarHBondContact OD1-OD1 2.82Å; D205-N261 PolarHBondContact OD2-ND2 2.83Å; D205-N261 PolarHBondContact OD2-OD1 2.91Å
262V84Confident83.7Confident25 Ų2568.9 Ų68.915%0.15237%0.374CS..EExtended strand (participates in β ladder)trans-103.4111.6172-179.30000108.2D205 V206 L254 P255D205-V262 WeakPolarHBondContact CA-O 3.31Å; V206-V262 PolarHBondContact N-O 2.7Å; V206-V262 PolarHBondContact O-N 2.92Å; L254-V262 HydrophobicContact CD2-CG1 4.21Å; P255-V262 HydrophobicContact CB-CG2 4.45Å; P255-V262 VanDerWaalsContact CD-CG1 3.46Å; P255-V262 HydrophobicContact CG-CB 4.48Å; P255-V262 HydrophobicContact CG-CG1 3.81Å; P255-V262 HydrophobicContact CG-CG2 3.81Å
263E90.5Very high83.8Confident118 Ų11871 Ų7155%0.55140%0.396SS*.EExtended strand (participates in β ladder)trans-100.2128.1169-170.9179.811000109.7R188 T203 L204R188-E263 IonicContact CZ-OE2 2.76Å; R188-E263 IonicContact NH1-OE2 2.65Å; R188-E263 IonicContact NH2-OE2 3.38Å; R188-E263 PolarHBondContact NH2-OE2 3.14Å; T203-E263 HydrophobicContact CG2-CG 3.77Å; L204-E263 CarbonylContact O-C 3.54Å; L204-E263 VanDerWaalsContact O-CA 3.31Å; L204-E263 WeakPolarHBondContact O-CA 3.28Å
264Q91.3Very high84.2Confident64 Ų6464.3 Ų64.330%0.29937%0.366SS..EExtended strand (participates in β ladder)trans-140.2136.8176-173.1162.3-4.900110.9L204 V252L204-Q264 WeakPolarHBondContact CB-O 3.42Å; L204-Q264 PolarHBondContact N-O 3.43Å; L204-Q264 PolarHBondContact O-N 3.39Å; V252-Q264 HydrophobicContact CG1-CG 4.27Å
265T95.9Very high85Confident68 Ų6865.5 Ų65.542%0.41737%0.372SS..EExtended strand (participates in β ladder)trans-106.9132175-57.50000110.1M201 V202 T203M201-T265 HydrophobicContact CB-CG2 4.47Å; M201-T265 HydrophobicContact CE-CG2 3.58Å; V202-T265 CarbonylContact O-C 3.57Å; V202-T265 WeakPolarHBondContact O-CA 3.49Å; T203-T265 PolarHBondContact OG1-OG1 2.9Å
266V96.9Very high86.2Confident13 Ų1362.3 Ų62.38%0.07935%0.351CS..EExtended strand (participates in β ladder)trans-122.7164.9175-61.10000111.5V202 V220 V250 V252V202-V266 HydrophobicContact CB-CG2 3.95Å; V202-V266 PolarHBondContact N-O 3.35Å; V202-V266 PolarHBondContact O-N 3.37Å; V220-V266 HydrophobicContact CB-CG2 4.04Å; V220-V266 HydrophobicContact CG1-CG2 3.92Å; V220-V266 HydrophobicContact CG2-CG2 4.06Å; V250-V266 HydrophobicContact CG1-CB 4.45Å; V250-V266 HydrophobicContact CG1-CG1 4.28Å; V252-V266 HydrophobicContact CG2-CG1 3.37Å
267Q98.1Very high87.7Confident122 Ų12260.6 Ų60.657%0.5734%0.337SS*.EExtended strand (participates in β ladder)trans-113.5129179.4-64.4-173.84.200109.3T199 I200 M201 V250T199-Q267 HydrophobicContact CG2-CB 3.74Å; T199-Q267 HydrophobicContact CG2-CG 4.06Å; I200-Q267 WeakPolarHBondContact O-CA 3.29Å; M201-Q267 HydrophobicContact CE-CG 3.84Å; M201-Q267 HydrophobicContact SD-CG 3.64Å; V250-Q267 WeakPolarHBondContact CG2-O 3.41Å
268L98.4Very high89.2Confident0 Ų056.1 Ų56.10%031%0.314CS..EExtended strand (participates in β ladder)trans-115.7135.1167.2-65.1173.5000109.1T199 I200 V202 V220 L222 D248 V250 V290T199-L268 CarbonylContact C-O 3.54Å; T199-L268 WeakPolarHBondContact CA-O 3.41Å; I200-L268 HydrophobicContact CB-CB 4.33Å; I200-L268 PolarHBondContact N-O 2.66Å; I200-L268 PolarHBondContact O-N 2.99Å; V202-L268 HydrophobicContact CG2-CD1 3.92Å; V202-L268 HydrophobicContact CG2-CG 4.36Å; V220-L268 HydrophobicContact CG1-CD1 3.99Å; V220-L268 HydrophobicContact CG1-CG 4.5Å; L222-L268 HydrophobicContact CB-CB 4.44Å; L222-L268 HydrophobicContact CB-CD1 4.1Å; D248-L268 HydrophobicContact CB-CD2 4.48Å; D248-L268 WeakPolarHBondContact OD2-CA 3.44Å; V250-L268 HydrophobicContact CG2-CD2 4.07Å; L268-V290 HydrophobicContact CD1-CG1 4.16Å; L268-V290 HydrophobicContact CD1-CG2 4.15Å
269K98.3Very high91.1Very high117 Ų11755.9 Ų55.951%0.50931%0.31SS..EExtended strand (participates in β ladder)trans-94.9131178.2-171.5169.7-176.5173.20110.8D248 P271D248-K269 PolarHBondContact OD2-N 2.87Å; K269-P271 VanDerWaalsContact O-CD 3.25Å; K269-P271 WeakPolarHBondContact O-CD 3.45Å
270V98.2Very high92.4Very high0 Ų058.9 Ų58.90%031%0.307CS..  trans-79.4113.4166.6-172.90000107.8F194 G197 E198 I200 L222 V274 I306F194-V270 HydrophobicContact CB-CG2 4.44Å; G197-V270 WeakPolarHBondContact CA-O 3.36Å; G197-V270 PolarHBondContact N-O 2.88Å; E198-V270 PolarHBondContact O-N 2.82Å; I200-V270 HydrophobicContact CD1-CG2 3.79Å; I200-V270 HydrophobicContact CG1-CG2 3.92Å; L222-V270 HydrophobicContact CD2-CB 4.43Å; L222-V270 HydrophobicContact CD2-CG2 4.01Å; V270-V274 HydrophobicContact CG1-CG2 4Å; V270-I306 HydrophobicContact CG1-CD1 4.06Å; V270-I306 HydrophobicContact CG1-CG2 4Å; V270-I306 HydrophobicContact CG2-CD1 3.87Å
271P97.4Very high93.4Very high38 Ų3858.6 Ų58.625%0.24731%0.31CS..  trans-67.5148-174.6-2033.2000112.5L247 K269 G273 V274L247-P271 HydrophobicContact CB-CG 4Å; K269-P271 VanDerWaalsContact O-CD 3.25Å; K269-P271 WeakPolarHBondContact O-CD 3.45Å; P271-G273 PolarHBondContact O-N 2.78Å; P271-V274 HydrophobicContact CB-CG1 4.07Å; P271-V274 HydrophobicContact CG-CG1 4.24Å; P271-V274 WeakPolarHBondContact O-CG2 3.28Å
272I94.2Very high93.9Very high150 Ų15055.4 Ų55.477%0.76930%0.297SS*.THydrogen-bonded Turntrans-68132.4170.9-61.4171.8000108.6
273G90.6Very high94.5Very high47 Ų4755.2 Ų55.249%0.48530%0.295SS..THydrogen-bonded Turntrans95.22.7176.600000115.6P271P271-G273 PolarHBondContact O-N 2.78Å
274V94.6Very high94.9Very high17 Ų1749.7 Ų49.710%0.10327%0.269CS..PPolyproline II helixtrans-69.9158.5164.6-57.70000110.6I196 L247 V270 P271I196-V274 HydrophobicContact CD1-CG2 4.34Å; I196-V274 VanDerWaalsContact CD1-O 3.26Å; I196-V274 WeakPolarHBondContact CD1-O 3.33Å; I196-V274 HydrophobicContact CG1-CG2 3.9Å; I196-V274 HydrophobicContact CG2-CG2 4.4Å; L247-V274 HydrophobicContact CD1-CG1 3.88Å; L247-V274 HydrophobicContact CD2-CG1 4.14Å; V270-V274 HydrophobicContact CG1-CG2 4Å; P271-V274 HydrophobicContact CB-CG1 4.07Å; P271-V274 HydrophobicContact CG-CG1 4.24Å; P271-V274 WeakPolarHBondContact O-CG2 3.28Å
275Q94.5Very high95.1Very high42 Ų4246.8 Ų46.820%0.19626%0.256CS..PPolyproline II helixtrans-79148175.6-59.276.35300109.7Y288Q275-Y288 WeakPolarHBondContact O-CE2 3.31Å; Q275-Y288 VanDerWaalsContact O-CZ 3.31Å; Q275-Y288 PolarHBondContact O-OH 2.87Å
276P96.2Very high95.2Very high4 Ų443.8 Ų43.83%0.02624%0.237CC..PPolyproline II helixtrans-63.4164.4166.930.1-36.3000111.2D151 V153 S278 I306D151-P276 HydrophobicContact CB-CG 4.05Å; V153-P276 HydrophobicContact CB-CB 3.77Å; V153-P276 HydrophobicContact CB-CG 4.3Å; V153-P276 HydrophobicContact CG2-CB 3.69Å; V153-P276 HydrophobicContact CG2-CG 3.78Å; P276-S278 PolarHBondContact O-N 3.3Å; P276-I306 CarbonylContact C-O 3.52Å; P276-I306 WeakPolarHBondContact CA-O 3.42Å
277T96.8Very high95.2Very high0 Ų046 Ų460%024%0.244CC..PPolyproline II helixtrans-58.1132.2172.5-74.30000110.6L158 L279 Y288 E305 I306L158-T277 HydrophobicContact CD2-CG2 4.3Å; T277-L279 PolarHBondContact O-N 3.1Å; T277-Y288 WeakPolarHBondContact OG1-CD2 3.34Å; T277-E305 HydrophobicContact CG2-CB 4.37Å; T277-E305 HydrophobicContact CG2-CG 4.27Å; T277-E305 WeakPolarHBondContact OG1-CA 3.45Å; T277-I306 PolarHBondContact N-O 3.43Å; T277-I306 PolarHBondContact OG1-N 3.25Å
278S95.8Very high95.3Very high17 Ų1740.5 Ų40.512%0.11922%0.218CC..PPolyproline II helixtrans-62.5122.8174.2-58.40000111.2P276 V286 R287P276-S278 PolarHBondContact O-N 3.3Å; S278-V286 PolarHBondContact N-O 2.76Å; S278-V286 PolarHBondContact OG-N 3.07Å; S278-R287 PolarHBondContact O-NH1 2.91Å; S278-R287 PolarHBondContact O-NH2 3.47Å
279L92.6Very high95.2Very high48 Ų4842.3 Ų42.325%0.25123%0.226SC..SBendtrans-76.9-39.9175.7-67.2-176000112.2V153 D157 L158 T277V153-L279 HydrophobicContact CG1-CD1 4.14Å; V153-L279 HydrophobicContact CG1-CD2 3.75Å; V153-L279 HydrophobicContact CG1-CG 4Å; V153-L279 HydrophobicContact CG2-CD1 4.08Å; V153-L279 HydrophobicContact CG2-CG 3.95Å; D157-L279 HydrophobicContact CB-CD1 4.07Å; D157-L279 HydrophobicContact CB-CD2 4.3Å; L158-L279 HydrophobicContact CD2-CD2 3.8Å; T277-L279 PolarHBondContact O-N 3.1Å
280Q89.6Confident95.2Very high128 Ų12836.7 Ų36.760%0.59820%0.202SC*.SBendtrans-99.2153.8-178.3-59.8179.610.200110.8
281N87.8Confident95.2Very high128 Ų12838.7 Ų38.768%0.68421%0.211SC*.  trans-88.2139.8167.6-64.5-25.5000108.3
282G90.1Very high95.1Very high18 Ų1836.9 Ų36.919%0.18620%0.199CC..SBendtrans-155.7-163.2174.100000109.2Y229 I284Y229-G282 WeakPolarHBondContact CD2-O 3.49Å; G282-I284 PolarHBondContact O-N 2.82Å
283L96.5Very high95Very high20 Ų2030.9 Ų30.911%0.10517%0.169CC..SBendtrans-58.6-28.8175-63.3-175.1000113.5M49 T51 T64 E66 F228 Y229M49-L283 HydrophobicContact CB-CB 4.06Å; M49-L283 HydrophobicContact CB-CD1 4.27Å; M49-L283 HydrophobicContact CB-CG 4.49Å; M49-L283 HydrophobicContact SD-CB 4.27Å; T51-L283 HydrophobicContact CG2-CB 3.85Å; T64-L283 HydrophobicContact CG2-CD1 3.74Å; T64-L283 HydrophobicContact CG2-CD2 3.74Å; T64-L283 HydrophobicContact CG2-CG 4.4Å; T64-L283 WeakPolarHBondContact O-CD1 3.38Å; E66-L283 HydrophobicContact CB-CD1 3.57Å; E66-L283 HydrophobicContact CB-CG 3.77Å; E66-L283 WeakPolarHBondContact OE2-CG 3.29Å; E66-L283 PolarHBondContact OE2-N 3.43Å; F228-L283 CarbonylContact C-O 3.52Å; F228-L283 WeakPolarHBondContact CA-O 3.3Å; Y229-L283 PolarHBondContact N-O 2.85Å
284I98.1Very high94.8Very high2 Ų228.7 Ų28.71%0.0115%0.146CC..EExtended strand (participates in β ladder)trans-130126.1-179.5-54.7-179.2000109.4M49 T51 F107 F113 I114 L227 F228 G282M49-I284 HydrophobicContact SD-CB 4.41Å; T51-I284 HydrophobicContact CG2-CD1 3.99Å; T51-I284 HydrophobicContact CG2-CG1 3.53Å; F107-I284 HydrophobicContact CD1-CG2 3.82Å; F107-I284 HydrophobicContact CE1-CG2 4.14Å; F113-I284 VanDerWaalsContact C-CD1 3.43Å; F113-I284 VanDerWaalsContact O-CD1 3.25Å; F113-I284 WeakPolarHBondContact O-CD1 2.84Å; I114-I284 HydrophobicContact CD1-CB 4.07Å; I114-I284 HydrophobicContact CD1-CG2 4.23Å; I114-I284 HydrophobicContact CG1-CB 4.11Å; I114-I284 HydrophobicContact CG1-CD1 3.95Å; I114-I284 HydrophobicContact CG1-CG2 4.39Å; L227-I284 WeakPolarHBondContact O-CA 2.85Å; F228-I284 HydrophobicContact CD1-CD1 4.05Å; F228-I284 HydrophobicContact CD1-CG1 3.86Å; F228-I284 HydrophobicContact CD1-CG2 4.18Å; F228-I284 HydrophobicContact CE1-CD1 4.17Å; F228-I284 HydrophobicContact CE1-CG1 4.31Å; F228-I284 HydrophobicContact CE1-CG2 3.98Å; G282-I284 PolarHBondContact O-N 2.82Å
285V97.5Very high94.2Very high4 Ų431 Ų312%0.02416%0.157CC..EExtended strand (participates in β ladder)trans-128.1123.4-179.8-174.60000109.3A226 L227 Y229 R287A226-V285 WeakPolarHBondContact CA-O 3.26Å; L227-V285 HydrophobicContact CB-CB 4.48Å; L227-V285 PolarHBondContact N-O 2.87Å; L227-V285 PolarHBondContact O-N 3.22Å; Y229-V285 HydrophobicContact CE2-CG2 4.29Å; V285-R287 HydrophobicContact CG1-CG 4.09Å
286V97.6Very high93.4Very high4 Ų436 Ų362%0.02419%0.185CC..EExtended strand (participates in β ladder)trans-100124.8176.8-178.20000109.6F107 Q224 E225 S278 Y288F107-V286 HydrophobicContact CD1-CG2 4.5Å; F107-V286 HydrophobicContact CD2-CG2 3.92Å; F107-V286 HydrophobicContact CE2-CG2 4.02Å; F107-V286 HydrophobicContact CG-CG2 4.17Å; F107-V286 HydrophobicContact CZ-CG2 4.35Å; Q224-V286 HydrophobicContact CG-CG1 3.88Å; E225-V286 WeakPolarHBondContact O-CA 3.29Å; S278-V286 PolarHBondContact N-O 2.76Å; S278-V286 PolarHBondContact OG-N 3.07Å; V286-Y288 HydrophobicContact CG1-CE2 4.04Å
287R97.3Very high92.6Very high60 Ų6041.8 Ų41.823%0.22621%0.21CC..EExtended strand (participates in β ladder)trans-131.5166.7-180-63.1-65.6179.5-165.5-13.7110.2E225 S278 V285E225-R287 PolarHBondContact N-O 3.03Å; E225-R287 PolarHBondContact O-N 2.86Å; S278-R287 PolarHBondContact O-NH1 2.91Å; S278-R287 PolarHBondContact O-NH2 3.47Å; V285-R287 HydrophobicContact CG1-CG 4.09Å
288Y98.1Very high92Very high6 Ų642 Ų422%0.02421%0.211CC..EExtended strand (participates in β ladder)trans-131.9151.7179.1-61.4-85.7000110.9I223 Q224 L247 Q275 T277 V286 V304 I306I223-Y288 VanDerWaalsContact O-CA 3.27Å; I223-Y288 WeakPolarHBondContact O-CA 3.17Å; Q224-Y288 HydrophobicContact CB-CD1 4Å; Q224-Y288 HydrophobicContact CB-CE1 3.59Å; Q224-Y288 HydrophobicContact CG-CD1 4.26Å; Q224-Y288 HydrophobicContact CG-CE1 3.56Å; Q224-Y288 PolarHBondContact NE2-OH 3.37Å; L247-Y288 HydrophobicContact CD1-CD1 3.98Å; L247-Y288 HydrophobicContact CD1-CE1 3.63Å; Q275-Y288 WeakPolarHBondContact O-CE2 3.31Å; Q275-Y288 VanDerWaalsContact O-CZ 3.31Å; Q275-Y288 PolarHBondContact O-OH 2.87Å; T277-Y288 WeakPolarHBondContact OG1-CD2 3.34Å; V286-Y288 HydrophobicContact CG1-CE2 4.04Å; Y288-V304 CarbonylContact C-O 3.55Å; Y288-V304 PolarHBondContact O-N 2.79Å; Y288-I306 HydrophobicContact CD1-CG1 4.05Å; Y288-I306 HydrophobicContact CD2-CB 3.8Å; Y288-I306 HydrophobicContact CD2-CG1 3.4Å; Y288-I306 VanDerWaalsContact CD2-CG1 3.4Å; Y288-I306 HydrophobicContact CE1-CG1 4.43Å; Y288-I306 HydrophobicContact CE2-CB 3.85Å; Y288-I306 HydrophobicContact CE2-CG1 3.84Å; Y288-I306 HydrophobicContact CG-CB 4.42Å; Y288-I306 HydrophobicContact CG-CG1 3.52Å
289K97.8Very high91.8Very high38 Ų3845.3 Ų45.317%0.16523%0.225CC..EExtended strand (participates in β ladder)trans-147.8146.6172.862.3-169.2-175.5-169.20110.5I223 E225 T301 V302I223-K289 HydrophobicContact CB-CG 3.89Å; I223-K289 HydrophobicContact CG1-CG 4.48Å; I223-K289 HydrophobicContact CG2-CG 4.46Å; I223-K289 PolarHBondContact N-O 2.91Å; I223-K289 PolarHBondContact O-N 2.8Å; E225-K289 VanDerWaalsContact OE2-CE 3.31Å; E225-K289 WeakPolarHBondContact OE2-CE 3.42Å; E225-K289 IonicContact OE2-NZ 3.41Å; E225-K289 PolarHBondContact OE2-NZ 2.93Å; K289-T301 HydrophobicContact CD-CG2 4.07Å; K289-V302 CarbonylContact C-O 3.56Å; K289-V302 VanDerWaalsContact CA-O 3.25Å; K289-V302 WeakPolarHBondContact CA-O 3.44Å; K289-V302 WeakPolarHBondContact CB-O 3.31Å
290V98.2Very high92Very high0 Ų043.8 Ų43.80%022%0.217CC..EExtended strand (participates in β ladder)trans-85.1125.4160.2173.60000107L189 V202 V220 A221 L268 T301 V302 V304L189-V290 HydrophobicContact CD2-CG2 3.99Å; V202-V290 HydrophobicContact CG1-CG1 4.05Å; V202-V290 HydrophobicContact CG2-CG1 4.03Å; V202-V290 HydrophobicContact CG2-CG2 4.29Å; V220-V290 HydrophobicContact CG1-CG1 4.04Å; A221-V290 CarbonylContact O-C 3.59Å; A221-V290 WeakPolarHBondContact O-CA 3.41Å; L268-V290 HydrophobicContact CD1-CG1 4.16Å; L268-V290 HydrophobicContact CD1-CG2 4.15Å; V290-T301 CarbonylContact O-C 3.56Å; V290-T301 WeakPolarHBondContact O-CA 2.94Å; V290-V302 PolarHBondContact N-O 3.42Å; V290-V302 PolarHBondContact O-N 2.89Å; V290-V304 HydrophobicContact CG2-CG1 4.14Å; V290-V304 HydrophobicContact CG2-CG2 4.42Å
291K97.5Very high92.3Very high41 Ų4140.2 Ų40.218%0.17820%0.204CC..EExtended strand (participates in β ladder)trans-113.2130.9179.5178.2174.2167.91780108.8V220 A221 I223 D293 E299 T301V220-K291 CarbonylContact C-O 3.55Å; V220-K291 WeakPolarHBondContact CA-O 3.34Å; A221-K291 PolarHBondContact N-O 2.87Å; A221-K291 PolarHBondContact O-N 2.65Å; I223-K291 HydrophobicContact CG1-CB 3.82Å; I223-K291 HydrophobicContact CG1-CD 4.45Å; K291-D293 WeakPolarHBondContact CE-OD1 3.32Å; K291-D293 WeakPolarHBondContact CE-OD2 3.1Å; K291-D293 IonicContact NZ-OD1 2.88Å; K291-D293 PolarHBondContact NZ-OD1 3.41Å; K291-D293 VanDerWaalsContact NZ-OD1 3.13Å; K291-D293 IonicContact NZ-OD2 3.82Å; K291-D293 PolarHBondContact NZ-OD2 2.72Å; K291-E299 HydrophobicContact CD-CG 4.38Å; K291-E299 WeakPolarHBondContact CD-OE1 3.38Å; K291-E299 WeakPolarHBondContact CE-OE1 3.38Å; K291-E299 VanDerWaalsContact CE-OE2 3.29Å; K291-E299 WeakPolarHBondContact CE-OE2 3.4Å; K291-E299 HydrophobicContact CG-CG 4.33Å; K291-E299 IonicContact NZ-OE1 3.77Å; K291-E299 PolarHBondContact NZ-OE1 3.48Å; K291-E299 IonicContact NZ-OE2 4Å; K291-E299 PolarHBondContact NZ-OE2 2.92Å; K291-T301 HydrophobicContact CB-CG2 4.1Å; K291-T301 HydrophobicContact CD-CG2 4.4Å; K291-T301 HydrophobicContact CG-CG2 3.92Å
292V95.5Very high92.7Very high1 Ų134.1 Ų34.11%0.00617%0.171CC..EExtended strand (participates in β ladder)trans-117.1119.6173.2179.80000108.7L185 V187 L204 S219 V220 E299 L300L185-V292 HydrophobicContact CD1-CG1 4.4Å; L185-V292 HydrophobicContact CD2-CG1 4.08Å; V187-V292 HydrophobicContact CG2-CB 4.27Å; V187-V292 HydrophobicContact CG2-CG2 3.62Å; L204-V292 HydrophobicContact CD1-CG1 3.65Å; L204-V292 HydrophobicContact CD1-CG2 4.35Å; S219-V292 CarbonylContact O-C 3.56Å; S219-V292 VanDerWaalsContact O-CA 3.3Å; S219-V292 WeakPolarHBondContact O-CA 3.22Å; V220-V292 HydrophobicContact CG1-CG2 4.1Å; V220-V292 HydrophobicContact CG2-CG2 4.27Å; V292-E299 WeakPolarHBondContact O-CA 3.33Å; V292-L300 PolarHBondContact N-O 2.86Å; V292-L300 PolarHBondContact O-N 2.83Å
293D93Very high93.1Very high24 Ų2436.6 Ų36.613%0.12818%0.184CC..EExtended strand (participates in β ladder)trans-110.2134.1171.5-71.4-36000110.7A218 S219 K291 C298 E299A218-D293 CarbonylContact C-O 3.51Å; A218-D293 VanDerWaalsContact CA-O 3.3Å; A218-D293 WeakPolarHBondContact CA-O 3.41Å; S219-D293 PolarHBondContact N-O 2.82Å; S219-D293 PolarHBondContact O-N 3.23Å; K291-D293 WeakPolarHBondContact CE-OD1 3.32Å; K291-D293 WeakPolarHBondContact CE-OD2 3.1Å; K291-D293 IonicContact NZ-OD1 2.88Å; K291-D293 PolarHBondContact NZ-OD1 3.41Å; K291-D293 VanDerWaalsContact NZ-OD1 3.13Å; K291-D293 IonicContact NZ-OD2 3.82Å; K291-D293 PolarHBondContact NZ-OD2 2.72Å; D293-C298 CarbonylContact C-O 3.55Å; D293-C298 VanDerWaalsContact CA-O 3.31Å; D293-C298 WeakPolarHBondContact CA-O 3.29Å; D293-E299 WeakPolarHBondContact OD1-CB 3.3Å
294L86.7Confident93.1Very high1 Ų135.9 Ų35.91%0.00518%0.181CC..EExtended strand (participates in β ladder)trans-103.7106.7168.2-61.1176.5000109.6V183 L185 A218 L254 D296 K297 C298V183-L294 HydrophobicContact CG1-CD1 3.82Å; L185-L294 HydrophobicContact CD1-CD1 4.37Å; L185-L294 HydrophobicContact CD2-CD1 4.2Å; L185-L294 HydrophobicContact CD2-CG 4.4Å; A218-L294 HydrophobicContact CB-CD2 3.59Å; L254-L294 HydrophobicContact CD1-CD2 3.9Å; L294-D296 PolarHBondContact O-N 2.93Å; L294-K297 PolarHBondContact O-N 3.05Å; L294-C298 HydrophobicContact CB-CB 4.1Å; L294-C298 HydrophobicContact CD1-CB 4.23Å; L294-C298 HydrophobicContact CG-CB 4.45Å; L294-C298 PolarHBondContact N-O 3.05Å; L294-C298 PolarHBondContact O-N 3.09Å
295D80.3Confident93.1Very high64 Ų6436.3 Ų36.334%0.34218%0.183SC..THydrogen-bonded Turntrans43.737.9179.7-61.7-27.9000114.6R216 N217 K297R216-D295 WeakPolarHBondContact CA-OD2 3.31Å; R216-D295 WeakPolarHBondContact CB-OD2 3.35Å; R216-D295 WeakPolarHBondContact CD-OD2 3.42Å; R216-D295 WeakPolarHBondContact CG-OD2 3.36Å; R216-D295 IonicContact NE-OD2 3.41Å; N217-D295 PolarHBondContact N-OD1 3.17Å; N217-D295 PolarHBondContact O-N 3.05Å; D295-K297 PolarHBondContact O-N 3.42Å; D295-K297 VanDerWaalsContact O-N 3.09Å
296D77.5Confident93.1Very high147 Ų14736.1 Ų36.179%0.78618%0.181SC*.THydrogen-bonded Turntrans58.319.6-177.2-52.7-42000115.3L294L294-D296 PolarHBondContact O-N 2.93Å
297K79.5Confident93Very high127 Ų12735.9 Ų35.955%0.55218%0.18SC*.THydrogen-bonded Turntrans-111.7-31.3-179.1-68.9-174.8-175.3-176.40114.1V173 L294 D295V173-K297 HydrophobicContact CG1-CD 3.67Å; L294-K297 PolarHBondContact O-N 3.05Å; D295-K297 PolarHBondContact O-N 3.42Å; D295-K297 VanDerWaalsContact O-N 3.09Å
298C85.4Confident92.9Very high3 Ų333.4 Ų33.42%0.0217%0.172CC..EExtended strand (participates in β ladder)trans-128.7127.8-179.6-49.60000107.8F171 V173 D293 L294F171-C298 HydrophobicContact CB-CB 4.15Å; F171-C298 WeakPolarHBondContact CB-SG 3.14Å; F171-C298 HydrophobicContact CD1-CB 3.74Å; F171-C298 HydrophobicContact CD2-CB 3.74Å; F171-C298 HydrophobicContact CE1-CB 4.02Å; F171-C298 HydrophobicContact CE2-CB 4.01Å; F171-C298 HydrophobicContact CG-CB 3.59Å; F171-C298 HydrophobicContact CZ-CB 4.15Å; V173-C298 WeakPolarHBondContact CG2-SG 3.48Å; D293-C298 CarbonylContact C-O 3.55Å; D293-C298 VanDerWaalsContact CA-O 3.31Å; D293-C298 WeakPolarHBondContact CA-O 3.29Å; L294-C298 HydrophobicContact CB-CB 4.1Å; L294-C298 HydrophobicContact CD1-CB 4.23Å; L294-C298 HydrophobicContact CG-CB 4.45Å; L294-C298 PolarHBondContact N-O 3.05Å; L294-C298 PolarHBondContact O-N 3.09Å
299E92.1Very high92.4Very high88 Ų8835.9 Ų35.941%0.41119%0.193SC..EExtended strand (participates in β ladder)trans-121.7126.6178.6171.816817300108.3F171 K291 V292 D293 T301F171-E299 WeakPolarHBondContact CZ-O 3.17Å; K291-E299 HydrophobicContact CD-CG 4.38Å; K291-E299 WeakPolarHBondContact CD-OE1 3.38Å; K291-E299 WeakPolarHBondContact CE-OE1 3.38Å; K291-E299 VanDerWaalsContact CE-OE2 3.29Å; K291-E299 WeakPolarHBondContact CE-OE2 3.4Å; K291-E299 HydrophobicContact CG-CG 4.33Å; K291-E299 IonicContact NZ-OE1 3.77Å; K291-E299 PolarHBondContact NZ-OE1 3.48Å; K291-E299 IonicContact NZ-OE2 4Å; K291-E299 PolarHBondContact NZ-OE2 2.92Å; V292-E299 WeakPolarHBondContact O-CA 3.33Å; D293-E299 WeakPolarHBondContact OD1-CB 3.3Å; E299-T301 HydrophobicContact CG-CG2 4.07Å; E299-T301 WeakPolarHBondContact OE1-CG2 3.17Å
300L95.6Very high91.3Very high15 Ų1542.4 Ų42.48%0.07923%0.229CC..EExtended strand (participates in β ladder)trans-122.4132.3167.4179.758.9000109C167 D169 F171 L185 V187 V292C167-L300 HydrophobicContact CB-CD1 4.26Å; C167-L300 HydrophobicContact CB-CD2 4.47Å; D169-L300 HydrophobicContact CB-CD1 4.01Å; F171-L300 HydrophobicContact CZ-CB 4.48Å; L185-L300 HydrophobicContact CB-CD2 4.49Å; L185-L300 HydrophobicContact CD2-CB 3.61Å; L185-L300 HydrophobicContact CD2-CD2 4.07Å; L185-L300 HydrophobicContact CG-CB 4.4Å; L185-L300 HydrophobicContact CG-CD2 3.91Å; V187-L300 HydrophobicContact CB-CD2 4.35Å; V187-L300 HydrophobicContact CG2-CD2 3.85Å; V187-L300 HydrophobicContact CG2-CG 4.49Å; V292-L300 PolarHBondContact N-O 2.86Å; V292-L300 PolarHBondContact O-N 2.83Å
301T96.8Very high90.9Very high53 Ų5344.5 Ų44.533%0.32524%0.241SC..EExtended strand (participates in β ladder)trans-120.9138.9178.858.20000111K289 V290 K291 E299K289-T301 HydrophobicContact CD-CG2 4.07Å; V290-T301 CarbonylContact O-C 3.56Å; V290-T301 WeakPolarHBondContact O-CA 2.94Å; K291-T301 HydrophobicContact CB-CG2 4.1Å; K291-T301 HydrophobicContact CD-CG2 4.4Å; K291-T301 HydrophobicContact CG-CG2 3.92Å; E299-T301 HydrophobicContact CG-CG2 4.07Å; E299-T301 WeakPolarHBondContact OE1-CG2 3.17Å
302V96.7Very high90.6Very high0 Ų044.7 Ų44.70%024%0.244CC..EExtended strand (participates in β ladder)trans-118.8114.1175.2-170.60000108.2L165 C167 V187 L189 K289 V290 V304L165-V302 HydrophobicContact CB-CG1 4.17Å; L165-V302 HydrophobicContact CD1-CG1 4Å; C167-V302 HydrophobicContact CB-CG2 3.83Å; V187-V302 HydrophobicContact CB-CG2 3.91Å; V187-V302 HydrophobicContact CG1-CG2 3.72Å; L189-V302 HydrophobicContact CD1-CB 4.04Å; L189-V302 HydrophobicContact CD1-CG1 3.58Å; L189-V302 HydrophobicContact CD1-CG2 4.28Å; K289-V302 CarbonylContact C-O 3.56Å; K289-V302 VanDerWaalsContact CA-O 3.25Å; K289-V302 WeakPolarHBondContact CA-O 3.44Å; K289-V302 WeakPolarHBondContact CB-O 3.31Å; V290-V302 PolarHBondContact N-O 3.42Å; V290-V302 PolarHBondContact O-N 2.89Å; V302-V304 PolarHBondContact O-N 3.3Å
303P96.4Very high90.3Very high71 Ų7147.1 Ų47.146%0.46126%0.257SS..EExtended strand (participates in β ladder)trans-65.4132.3176.227-32.3000109.3Q160 L165Q160-P303 PolarHBondContact NE2-O 3.41Å; Q160-P303 PolarHBondContact OE1-O 2.91Å; L165-P303 VanDerWaalsContact CD1-O 3.24Å; L165-P303 WeakPolarHBondContact CD1-O 3.46Å
304V97.4Very high90.1Very high4 Ų448.5 Ų48.52%0.02427%0.265CS..EExtended strand (participates in β ladder)trans-128.9157.8175-61.70000109.5L165 L189 G192 F194 L222 Y288 V290 V302L165-V304 HydrophobicContact CD1-CG1 4.5Å; L189-V304 HydrophobicContact CD2-CG1 3.85Å; G192-V304 CarbonylContact O-C 3.47Å; G192-V304 WeakPolarHBondContact O-CA 3.41Å; F194-V304 HydrophobicContact CD2-CB 4.45Å; F194-V304 HydrophobicContact CE2-CB 4.34Å; F194-V304 HydrophobicContact CE2-CG1 4.16Å; L222-V304 HydrophobicContact CD1-CG2 4.16Å; Y288-V304 CarbonylContact C-O 3.55Å; Y288-V304 PolarHBondContact O-N 2.79Å; V290-V304 HydrophobicContact CG2-CG1 4.14Å; V290-V304 HydrophobicContact CG2-CG2 4.42Å; V302-V304 PolarHBondContact O-N 3.3Å
305E97.5Very high90.3Very high11 Ų1151.4 Ų51.45%0.05128%0.281CS..EExtended strand (participates in β ladder)trans-115.8143.4178.8-60.4178.9140.800110.6L158 R159 Q160 G192 A193 F194 T277L158-E305 HydrophobicContact CB-CB 4.33Å; L158-E305 WeakPolarHBondContact CB-OE2 3.36Å; L158-E305 HydrophobicContact CD1-CB 3.77Å; L158-E305 HydrophobicContact CD2-CB 3.92Å; L158-E305 HydrophobicContact CD2-CG 4.46Å; L158-E305 HydrophobicContact CG-CB 4.23Å; R159-E305 IonicContact CZ-OE1 2.9Å; R159-E305 PolarHBondContact N-OE2 2.53Å; R159-E305 IonicContact NE-OE1 2.7Å; R159-E305 IonicContact NH2-OE1 3.13Å; R159-E305 PolarHBondContact NH2-OE1 2.89Å; Q160-E305 PolarHBondContact N-OE2 2.88Å; G192-E305 PolarHBondContact O-N 2.9Å; A193-E305 CarbonylContact C-O 3.52Å; A193-E305 WeakPolarHBondContact CA-O 3.03Å; A193-E305 HydrophobicContact CB-CB 4.16Å; F194-E305 PolarHBondContact N-O 2.86Å; T277-E305 HydrophobicContact CG2-CB 4.37Å; T277-E305 HydrophobicContact CG2-CG 4.27Å; T277-E305 WeakPolarHBondContact OG1-CA 3.45Å
306I97.3Very high91Very high0 Ų050.6 Ų50.60%028%0.277CS..EExtended strand (participates in β ladder)trans-116.4123.8-179.3-57.4-61.5000108.6F194 I196 V270 P276 T277 Y288F194-I306 HydrophobicContact CB-CD1 4.09Å; F194-I306 CarbonylContact O-C 3.53Å; F194-I306 VanDerWaalsContact O-CA 3.3Å; F194-I306 WeakPolarHBondContact O-CA 3.48Å; I196-I306 HydrophobicContact CG1-CG2 3.61Å; V270-I306 HydrophobicContact CG1-CD1 4.06Å; V270-I306 HydrophobicContact CG1-CG2 4Å; V270-I306 HydrophobicContact CG2-CD1 3.87Å; P276-I306 CarbonylContact C-O 3.52Å; P276-I306 WeakPolarHBondContact CA-O 3.42Å; T277-I306 PolarHBondContact N-O 3.43Å; T277-I306 PolarHBondContact OG1-N 3.25Å; Y288-I306 HydrophobicContact CD1-CG1 4.05Å; Y288-I306 HydrophobicContact CD2-CB 3.8Å; Y288-I306 HydrophobicContact CD2-CG1 3.4Å; Y288-I306 VanDerWaalsContact CD2-CG1 3.4Å; Y288-I306 HydrophobicContact CE1-CG1 4.43Å; Y288-I306 HydrophobicContact CE2-CB 3.85Å; Y288-I306 HydrophobicContact CE2-CG1 3.84Å; Y288-I306 HydrophobicContact CG-CB 4.42Å; Y288-I306 HydrophobicContact CG-CG1 3.52Å
307A96.7Very high92Very high0 Ų043.7 Ų43.70%024%0.241CC..EExtended strand (participates in β ladder)trans-100.4157.6176.400000111.3V153 M155 L158 F194 L195 I196V153-A307 WeakPolarHBondContact O-CB 3.4Å; M155-A307 HydrophobicContact SD-CB 4.33Å; L158-A307 HydrophobicContact CD1-CB 3.73Å; F194-A307 PolarHBondContact O-N 2.86Å; L195-A307 HydrophobicContact CD2-CB 3.94Å; I196-A307 WeakPolarHBondContact CG1-O 3.43Å; I196-A307 PolarHBondContact N-O 3.41Å
308S95.1Very high92.9Very high8 Ų837.3 Ų37.36%0.05622%0.217CC..PPolyproline II helixtrans-66.8135.7177.8-55.30000110.7D151 V153 L195D151-S308 PolarHBondContact O-OG 3.42Å; V153-S308 PolarHBondContact N-OG 3.13Å; V153-S308 PolarHBondContact O-N 2.88Å; L195-S308 WeakPolarHBondContact CD2-O 3.5Å
309A87.7Confident93.6Very high57 Ų5740.2 Ų40.247%0.47123%0.233SC..PPolyproline II helixtrans-79.3117163.500000107.8I196I196-A309 HydrophobicContact CB-CB 4.18Å; I196-A309 WeakPolarHBondContact O-CB 3.39Å
310L73.5Confident93.7Very high175 Ų17535.8 Ų35.892%0.91622%0.217SC*.  trans-90.40176.4-69.1173.7000110.9I152I152-L310 HydrophobicContact CD1-CD2 4.36Å; I152-L310 HydrophobicContact CG1-CD2 4.43Å; I152-L310 HydrophobicContact CG2-CD2 3.8Å

Retrieved 310 of 310 residues in 345.2 ms (Link to these results)

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