A0A077ZAC3_TRITR Loading...

DUF1637 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZAC3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 232 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
1M82.1Confident95.8Very high137 Ų13733.7 Ų33.768%0.67517%0.166SC*.  0118.80-164.6155.46800108.8Q5 K6M1-Q5 HydrophobicContact CG-CB 3.44Å; M1-Q5 VanDerWaalsContact CG-CB 3.44Å; M1-Q5 HydrophobicContact CG-CG 3.27Å; M1-Q5 HydrophobicContact SD-CB 4.24Å; M1-Q5 HydrophobicContact SD-CG 3.55Å; M1-Q5 VanDerWaalsContact SD-CG 3.55Å; M1-K6 HydrophobicContact CB-CG 4.34Å; M1-K6 HydrophobicContact CE-CB 4.13Å; M1-K6 HydrophobicContact CE-CG 3.35Å; M1-K6 HydrophobicContact CG-CG 3.95Å; M1-K6 HydrophobicContact SD-CG 4.33Å
2S93Very high95.9Very high35 Ų3530.9 Ų30.925%0.24515%0.152CC..  trans-63.1166.7173.958.60000111.4I4 Q5 K6 E227S2-I4 VanDerWaalsContact C-N 3.32Å; S2-I4 PolarHBondContact O-N 3.48Å; S2-Q5 PolarHBondContact O-N 2.93Å; S2-Q5 WeakPolarHBondContact OG-CB 3.37Å; S2-Q5 PolarHBondContact OG-N 3.24Å; S2-K6 WeakPolarHBondContact O-CG 3.3Å; S2-K6 PolarHBondContact O-N 2.9Å; S2-K6 VanDerWaalsContact O-N 3.08Å; S2-E227 WeakPolarHBondContact CB-OE2 3.48Å; S2-E227 PolarHBondContact OG-OE2 3.4Å
3L97Very high96Very high31 Ų3133.3 Ų33.316%0.16217%0.166CC..Hα-helixtrans-61.5-42.5178.4178.758.4000111.4Q5 K6 I7 L31 T34 V35L3-Q5 VanDerWaalsContact C-N 3.32Å; L3-Q5 PolarHBondContact O-N 3Å; L3-K6 WeakPolarHBondContact O-CB 3.13Å; L3-K6 PolarHBondContact O-N 3.45Å; L3-K6 VanDerWaalsContact O-N 3.14Å; L3-I7 HydrophobicContact CD1-CD1 4.24Å; L3-I7 HydrophobicContact CD1-CG1 4.49Å; L3-I7 HydrophobicContact CG-CD1 4.01Å; L3-I7 WeakPolarHBondContact O-CG1 3.31Å; L3-I7 PolarHBondContact O-N 3.48Å; L3-L31 HydrophobicContact CD1-CD2 4.39Å; L3-T34 WeakPolarHBondContact CD2-OG1 3.3Å; L3-V35 HydrophobicContact CD2-CB 4.37Å; L3-V35 HydrophobicContact CD2-CG2 3.77Å; L3-V35 HydrophobicContact CG-CG2 4.16Å
4I97.5Very high96.1Very high4 Ų431.1 Ų31.12%0.02116%0.155CC..Hα-helixtrans-63-41.2179.2-52.5-50.7000111S2 K6 I7 A8 V35 D39 L40 V73 L81 V229S2-I4 VanDerWaalsContact C-N 3.32Å; S2-I4 PolarHBondContact O-N 3.48Å; I4-K6 VanDerWaalsContact C-N 3.34Å; I4-K6 PolarHBondContact O-N 3.41Å; I4-I7 HydrophobicContact CD1-CD1 4.45Å; I4-I7 WeakPolarHBondContact O-CB 3.15Å; I4-I7 PolarHBondContact O-N 3.15Å; I4-A8 WeakPolarHBondContact O-CB 3.35Å; I4-A8 PolarHBondContact O-N 3.46Å; I4-V35 HydrophobicContact CD1-CG1 4.15Å; I4-V35 HydrophobicContact CD1-CG2 4.16Å; I4-D39 HydrophobicContact CD1-CB 4.33Å; I4-L40 HydrophobicContact CD1-CD2 3.49Å; I4-L40 VanDerWaalsContact CD1-CD2 3.49Å; I4-L40 HydrophobicContact CD1-CG 3.93Å; I4-L40 HydrophobicContact CG1-CD2 3.85Å; I4-L40 HydrophobicContact CG1-CG 4.47Å; I4-V73 HydrophobicContact CG2-CG1 3.94Å; I4-L81 HydrophobicContact CG2-CD1 4.45Å; I4-V229 HydrophobicContact CG2-CG2 3.7Å
5Q97.2Very high96.2Very high17 Ų1730.2 Ų30.28%0.07915%0.152CC..Hα-helixtrans-64.6-36.4175.4-172.76456.700112.5M1 S2 L3 Q9 V230M1-Q5 HydrophobicContact CG-CB 3.44Å; M1-Q5 VanDerWaalsContact CG-CB 3.44Å; M1-Q5 HydrophobicContact CG-CG 3.27Å; M1-Q5 HydrophobicContact SD-CB 4.24Å; M1-Q5 HydrophobicContact SD-CG 3.55Å; M1-Q5 VanDerWaalsContact SD-CG 3.55Å; S2-Q5 PolarHBondContact O-N 2.93Å; S2-Q5 WeakPolarHBondContact OG-CB 3.37Å; S2-Q5 PolarHBondContact OG-N 3.24Å; L3-Q5 VanDerWaalsContact C-N 3.32Å; L3-Q5 PolarHBondContact O-N 3Å; Q5-Q9 WeakPolarHBondContact O-CB 3.4Å; Q5-Q9 PolarHBondContact O-N 3.35Å; Q5-V230 VanDerWaalsContact NE2-C 3.34Å; Q5-V230 PolarHBondContact NE2-O 3.13Å; Q5-V230 PolarHBondContact OE1-O 2.71Å
6K97.6Very high96.1Very high96 Ų9636 Ų3642%0.41717%0.171SC..Hα-helixtrans-64.3-41.2173-72.2168.7-178.1-179.70112.5M1 S2 L3 I4 K10M1-K6 HydrophobicContact CB-CG 4.34Å; M1-K6 HydrophobicContact CE-CB 4.13Å; M1-K6 HydrophobicContact CE-CG 3.35Å; M1-K6 HydrophobicContact CG-CG 3.95Å; M1-K6 HydrophobicContact SD-CG 4.33Å; S2-K6 WeakPolarHBondContact O-CG 3.3Å; S2-K6 PolarHBondContact O-N 2.9Å; S2-K6 VanDerWaalsContact O-N 3.08Å; L3-K6 WeakPolarHBondContact O-CB 3.13Å; L3-K6 PolarHBondContact O-N 3.45Å; L3-K6 VanDerWaalsContact O-N 3.14Å; I4-K6 VanDerWaalsContact C-N 3.34Å; I4-K6 PolarHBondContact O-N 3.41Å; K6-K10 WeakPolarHBondContact O-CB 3.46Å; K6-K10 PolarHBondContact O-N 3.28Å
7I98.3Very high96Very high0 Ų042.2 Ų42.20%020%0.203CC..Hα-helixtrans-63.6-49.3177.3-72164000109.9L3 I4 Q9 K10 A11 L28 L31 V32 V35 F171 V173L3-I7 HydrophobicContact CD1-CD1 4.24Å; L3-I7 HydrophobicContact CD1-CG1 4.49Å; L3-I7 HydrophobicContact CG-CD1 4.01Å; L3-I7 WeakPolarHBondContact O-CG1 3.31Å; L3-I7 PolarHBondContact O-N 3.48Å; I4-I7 HydrophobicContact CD1-CD1 4.45Å; I4-I7 WeakPolarHBondContact O-CB 3.15Å; I4-I7 PolarHBondContact O-N 3.15Å; I7-Q9 PolarHBondContact O-N 3.29Å; I7-K10 PolarHBondContact O-N 3.13Å; I7-A11 WeakPolarHBondContact O-CB 3.42Å; I7-A11 PolarHBondContact O-N 3.01Å; I7-L28 HydrophobicContact CG2-CD1 4.04Å; I7-L31 HydrophobicContact CG1-CB 3.77Å; I7-V32 HydrophobicContact CD1-CG2 4.09Å; I7-V32 HydrophobicContact CG1-CG2 4.1Å; I7-V32 HydrophobicContact CG2-CG2 3.78Å; I7-V35 HydrophobicContact CD1-CG2 3.26Å; I7-F171 HydrophobicContact CD1-CE1 4.4Å; I7-F171 HydrophobicContact CG2-CE1 4.47Å; I7-V173 HydrophobicContact CG2-CG1 4.37Å; I7-V173 HydrophobicContact CG2-CG2 3.91Å
8A97.9Very high95.7Very high0 Ų045.6 Ų45.60%023%0.23CC..Hα-helixtrans-58.9-47.7178.200000111.2I4 K10 A11 A12 M79 L81 V229 L231I4-A8 WeakPolarHBondContact O-CB 3.35Å; I4-A8 PolarHBondContact O-N 3.46Å; A8-K10 PolarHBondContact O-N 2.91Å; A8-A11 PolarHBondContact O-N 2.77Å; A8-A12 WeakPolarHBondContact O-CB 3.23Å; A8-A12 PolarHBondContact O-N 3.46Å; A8-M79 HydrophobicContact CB-SD 4.03Å; A8-M79 WeakPolarHBondContact O-CE 3.38Å; A8-L81 HydrophobicContact CB-CD1 3.95Å; A8-V229 HydrophobicContact CB-CG1 3.45Å; A8-V229 VanDerWaalsContact CB-CG1 3.45Å; A8-L231 HydrophobicContact CB-CD2 3.75Å
9Q97.4Very high95.5Very high25 Ų2545.6 Ų45.612%0.11723%0.234CC..Hα-helixtrans-60.8-45178.1-16961.248.900112.1Q5 I7 A11 A12 D13Q5-Q9 WeakPolarHBondContact O-CB 3.4Å; Q5-Q9 PolarHBondContact O-N 3.35Å; I7-Q9 PolarHBondContact O-N 3.29Å; Q9-A11 PolarHBondContact O-N 2.7Å; Q9-A12 WeakPolarHBondContact O-CB 3.24Å; Q9-A12 PolarHBondContact O-N 3.48Å; Q9-D13 PolarHBondContact NE2-OD1 3Å; Q9-D13 PolarHBondContact O-N 2.95Å
10K97.6Very high95.5Very high26 Ų2646.8 Ų46.811%0.11324%0.236CC..Hα-helixtrans-63.9-41.4178.9179.167-171.7-169.80112.1K6 I7 A8 D13 I14 D24 E27 L28 L31K6-K10 WeakPolarHBondContact O-CB 3.46Å; K6-K10 PolarHBondContact O-N 3.28Å; I7-K10 PolarHBondContact O-N 3.13Å; A8-K10 PolarHBondContact O-N 2.91Å; K10-D13 PolarHBondContact O-N 3.08Å; K10-I14 HydrophobicContact CG-CD1 4.27Å; K10-I14 WeakPolarHBondContact O-CG1 3.46Å; K10-I14 PolarHBondContact O-N 2.78Å; K10-I14 VanDerWaalsContact O-N 3.13Å; K10-D24 WeakPolarHBondContact CE-O 3.34Å; K10-D24 IonicContact NZ-OD1 2.71Å; K10-D24 PolarHBondContact NZ-OD1 3Å; K10-E27 WeakPolarHBondContact CE-OE2 3.32Å; K10-E27 IonicContact NZ-OE2 2.72Å; K10-E27 PolarHBondContact NZ-OE2 2.74Å; K10-L28 HydrophobicContact CB-CD1 4.01Å; K10-L28 HydrophobicContact CG-CB 3.89Å; K10-L28 HydrophobicContact CG-CD1 3.96Å; K10-L28 HydrophobicContact CG-CG 4.44Å; K10-L31 HydrophobicContact CB-CD1 4.12Å; K10-L31 HydrophobicContact CG-CD1 4.37Å
11A98Very high95.5Very high0 Ų046.5 Ų46.50%024%0.238CC..Hα-helixtrans-64.4-42.117500000111.5I7 A8 Q9 D13 I14 V15 L28 M79I7-A11 WeakPolarHBondContact O-CB 3.42Å; I7-A11 PolarHBondContact O-N 3.01Å; A8-A11 PolarHBondContact O-N 2.77Å; Q9-A11 PolarHBondContact O-N 2.7Å; A11-D13 PolarHBondContact O-N 2.62Å; A11-I14 PolarHBondContact O-N 3.02Å; A11-V15 WeakPolarHBondContact O-CG2 3.31Å; A11-V15 PolarHBondContact O-N 3.11Å; A11-V15 VanDerWaalsContact O-N 3.14Å; A11-L28 HydrophobicContact CB-CD1 4.44Å; A11-L28 HydrophobicContact CB-CD2 4.06Å; A11-M79 HydrophobicContact CB-CE 4.21Å; A11-M79 HydrophobicContact CB-SD 3.79Å
12A97.4Very high96.2Very high0 Ų046.1 Ų46.10%024%0.244CC..Hα-helixtrans-58.9-46.5174.600000111.9A8 Q9 I14 V15 R16 L78 M79 L231A8-A12 WeakPolarHBondContact O-CB 3.23Å; A8-A12 PolarHBondContact O-N 3.46Å; Q9-A12 WeakPolarHBondContact O-CB 3.24Å; Q9-A12 PolarHBondContact O-N 3.48Å; A12-I14 PolarHBondContact O-N 2.98Å; A12-V15 PolarHBondContact O-N 2.93Å; A12-R16 VanDerWaalsContact O-CB 3.27Å; A12-R16 WeakPolarHBondContact O-CB 3.36Å; A12-R16 WeakPolarHBondContact O-CG 3.21Å; A12-R16 PolarHBondContact O-N 2.84Å; A12-L78 HydrophobicContact CB-CD1 3.92Å; A12-M79 HydrophobicContact CB-CE 3.68Å; A12-L231 HydrophobicContact CB-CD1 3.82Å; A12-L231 HydrophobicContact CB-CD2 4.2Å
13D97.2Very high96.4Very high62 Ų6247.6 Ų47.633%0.33226%0.258SS..Hα-helixtrans-61.9-44.1-179.5-65.5-18.8000111.3Q9 K10 A11 V15 R16 M17Q9-D13 PolarHBondContact NE2-OD1 3Å; Q9-D13 PolarHBondContact O-N 2.95Å; K10-D13 PolarHBondContact O-N 3.08Å; A11-D13 PolarHBondContact O-N 2.62Å; D13-V15 VanDerWaalsContact C-N 3.32Å; D13-V15 PolarHBondContact O-N 3.47Å; D13-R16 PolarHBondContact O-N 2.91Å; D13-M17 VanDerWaalsContact O-CB 3.24Å; D13-M17 WeakPolarHBondContact O-CB 3.44Å; D13-M17 VanDerWaalsContact O-CG 3.24Å; D13-M17 WeakPolarHBondContact O-CG 3.48Å; D13-M17 PolarHBondContact O-N 2.82Å
14I97.7Very high96.4Very high3 Ų348 Ų482%0.01526%0.261CS..Hα-helixtrans-55.8-47.8175.6-72.4166.5000111K10 A11 A12 C18 C19 Y20 D24 I25 L28 F175K10-I14 HydrophobicContact CG-CD1 4.27Å; K10-I14 WeakPolarHBondContact O-CG1 3.46Å; K10-I14 PolarHBondContact O-N 2.78Å; K10-I14 VanDerWaalsContact O-N 3.13Å; A11-I14 PolarHBondContact O-N 3.02Å; A12-I14 PolarHBondContact O-N 2.98Å; I14-C18 PolarHBondContact O-N 3.33Å; I14-C18 VanDerWaalsContact O-N 3.14Å; I14-C19 PolarHBondContact O-N 3.24Å; I14-Y20 HydrophobicContact CG2-CD1 3.5Å; I14-Y20 VanDerWaalsContact CG2-CD1 3.5Å; I14-Y20 HydrophobicContact CG2-CE1 3.66Å; I14-Y20 HydrophobicContact CG2-CG 4.06Å; I14-D24 HydrophobicContact CD1-CB 4.02Å; I14-D24 HydrophobicContact CG1-CB 3.86Å; I14-I25 HydrophobicContact CD1-CD1 4.32Å; I14-I25 HydrophobicContact CG2-CD1 4.48Å; I14-L28 HydrophobicContact CD1-CB 4.16Å; I14-L28 HydrophobicContact CD1-CD2 3.95Å; I14-F175 HydrophobicContact CD1-CE2 4.44Å; I14-F175 HydrophobicContact CG2-CD2 4.25Å; I14-F175 HydrophobicContact CG2-CE2 4Å
15V96.9Very high96.5Very high17 Ų1748.2 Ų48.210%0.10326%0.262CS..Hα-helixtrans-73.3-44.9-176.2177.90000111.4A11 A12 D13 M17 C18 Y20 L78 F175 P176A11-V15 WeakPolarHBondContact O-CG2 3.31Å; A11-V15 PolarHBondContact O-N 3.11Å; A11-V15 VanDerWaalsContact O-N 3.14Å; A12-V15 PolarHBondContact O-N 2.93Å; D13-V15 VanDerWaalsContact C-N 3.32Å; D13-V15 PolarHBondContact O-N 3.47Å; V15-M17 VanDerWaalsContact C-N 3.32Å; V15-M17 PolarHBondContact O-N 2.83Å; V15-C18 PolarHBondContact O-N 3.27Å; V15-C18 VanDerWaalsContact O-N 3.13Å; V15-Y20 HydrophobicContact CG2-CE1 4.45Å; V15-L78 HydrophobicContact CB-CD2 4.41Å; V15-L78 HydrophobicContact CG1-CB 4.41Å; V15-L78 HydrophobicContact CG1-CD2 3.85Å; V15-L78 WeakPolarHBondContact CG2-O 3.22Å; V15-F175 HydrophobicContact CG2-CB 4Å; V15-F175 HydrophobicContact CG2-CD2 4.14Å; V15-P176 HydrophobicContact CG1-CB 4.34Å
16R95.6Very high96.5Very high123 Ų12349.8 Ų49.846%0.46428%0.278SS..Hα-helixtrans-61.9-38.8178.6-73.2169.9179.4177.2-3.8112A12 D13 C18 L78 D232A12-R16 VanDerWaalsContact O-CB 3.27Å; A12-R16 WeakPolarHBondContact O-CB 3.36Å; A12-R16 WeakPolarHBondContact O-CG 3.21Å; A12-R16 PolarHBondContact O-N 2.84Å; D13-R16 PolarHBondContact O-N 2.91Å; R16-C18 VanDerWaalsContact C-N 3.31Å; R16-L78 HydrophobicContact CG-CD1 4.04Å; R16-L78 HydrophobicContact CG-CD2 4.12Å; R16-L78 VanDerWaalsContact NE-CD1 3.32Å; R16-D232 PolarHBondContact NH1-O 2.93Å; R16-D232 PolarHBondContact NH2-O 2.72Å; R16-D232 VanDerWaalsContact NH2-O 3.13Å
17M94Very high96.5Very high142 Ų14249.4 Ų49.470%0.728%0.277SS*.THydrogen-bonded Turntrans-84-6.3178.2-63.7-179.565.700113.3D13 V15 C19D13-M17 VanDerWaalsContact O-CB 3.24Å; D13-M17 WeakPolarHBondContact O-CB 3.44Å; D13-M17 VanDerWaalsContact O-CG 3.24Å; D13-M17 WeakPolarHBondContact O-CG 3.48Å; D13-M17 PolarHBondContact O-N 2.82Å; V15-M17 VanDerWaalsContact C-N 3.32Å; V15-M17 PolarHBondContact O-N 2.83Å; M17-C19 HydrophobicContact CB-CB 3.94Å; M17-C19 PolarHBondContact O-N 2.78Å; M17-C19 VanDerWaalsContact O-N 3.15Å
18C91Very high96.6Very high103 Ų10349.4 Ų49.470%0.69628%0.277SS*.THydrogen-bonded Turntrans49.733.2-169-65.30000112.7I14 V15 R16I14-C18 PolarHBondContact O-N 3.33Å; I14-C18 VanDerWaalsContact O-N 3.14Å; V15-C18 PolarHBondContact O-N 3.27Å; V15-C18 VanDerWaalsContact O-N 3.13Å; R16-C18 VanDerWaalsContact C-N 3.31Å
19C91.4Very high96.6Very high46 Ų4652 Ų5231%0.31129%0.289SS..  trans-112.383.1-172.2-173.80000110.5I14 M17 S21 D24I14-C19 PolarHBondContact O-N 3.24Å; M17-C19 HydrophobicContact CB-CB 3.94Å; M17-C19 PolarHBondContact O-N 2.78Å; M17-C19 VanDerWaalsContact O-N 3.15Å; C19-S21 PolarHBondContact O-N 2.84Å; C19-S21 VanDerWaalsContact O-N 3.13Å; C19-D24 PolarHBondContact SG-OD2 3.47Å; C19-D24 VanDerWaalsContact SG-OD2 3.4Å
20Y95Very high96.7Very high69 Ų6957.5 Ų57.527%0.27131%0.309SS..  trans-87.445.9177-57.6-93.6000111.1I14 V15 I25 Y101 F175I14-Y20 HydrophobicContact CG2-CD1 3.5Å; I14-Y20 VanDerWaalsContact CG2-CD1 3.5Å; I14-Y20 HydrophobicContact CG2-CE1 3.66Å; I14-Y20 HydrophobicContact CG2-CG 4.06Å; V15-Y20 HydrophobicContact CG2-CE1 4.45Å; Y20-I25 HydrophobicContact CD1-CD1 4.32Å; Y20-Y101 AromaticContact CD1-CD2 3.68Å; Y20-Y101 HydrophobicContact CD1-CD2 3.68Å; Y20-Y101 AromaticContact CD1-CE2 3.32Å; Y20-Y101 HydrophobicContact CD1-CE2 3.32Å; Y20-Y101 AromaticContact CE1-CD2 3.97Å; Y20-Y101 HydrophobicContact CE1-CD2 3.97Å; Y20-Y101 AromaticContact CE1-CE2 3.95Å; Y20-Y101 HydrophobicContact CE1-CE2 3.95Å; Y20-Y101 AromaticContact CG-CE2 3.88Å; Y20-Y101 HydrophobicContact CG-CE2 3.88Å; Y20-F175 HydrophobicContact CD1-CE2 4.26Å; Y20-F175 HydrophobicContact CE1-CD2 4.02Å; Y20-F175 HydrophobicContact CE1-CE2 4.22Å
21S96.2Very high96.7Very high40 Ų4057.3 Ų57.328%0.2831%0.309SS..  trans-64.1149.2-179.483.90000110.2C19 A23 D24 I25C19-S21 PolarHBondContact O-N 2.84Å; C19-S21 VanDerWaalsContact O-N 3.13Å; S21-A23 PolarHBondContact O-N 3.29Å; S21-D24 WeakPolarHBondContact CB-OD2 3.46Å; S21-D24 PolarHBondContact O-N 3.02Å; S21-D24 VanDerWaalsContact O-N 3.11Å; S21-D24 WeakPolarHBondContact OG-CB 3.41Å; S21-D24 PolarHBondContact OG-N 3.43Å; S21-D24 PolarHBondContact OG-OD2 2.98Å; S21-I25 WeakPolarHBondContact O-CG1 3.47Å; S21-I25 PolarHBondContact O-N 3.44Å
22T96.2Very high96.7Very high129 Ų12957.3 Ų57.379%0.79131%0.309SS*.Hα-helixtrans-57.1-33.8176.851.10000111.9A26T22-A26 WeakPolarHBondContact O-CB 3.41Å; T22-A26 PolarHBondContact O-N 3.13Å
23A97.6Very high96.8Very high67 Ų6758.8 Ų58.855%0.55432%0.319SS*.Hα-helixtrans-67.1-45176.100000112.3S21 A26 E27S21-A23 PolarHBondContact O-N 3.29Å; A23-A26 PolarHBondContact O-N 3.25Å; A23-E27 WeakPolarHBondContact O-CB 3.27Å; A23-E27 PolarHBondContact O-N 3.14Å
24D97.5Very high96.9Very high39 Ų3959.1 Ų59.121%0.20932%0.324CS..Hα-helixtrans-66.7-42.6179.6-69.8-52.8000112.1K10 I14 C19 S21 E27 L28K10-D24 WeakPolarHBondContact CE-O 3.34Å; K10-D24 IonicContact NZ-OD1 2.71Å; K10-D24 PolarHBondContact NZ-OD1 3Å; I14-D24 HydrophobicContact CD1-CB 4.02Å; I14-D24 HydrophobicContact CG1-CB 3.86Å; C19-D24 PolarHBondContact SG-OD2 3.47Å; C19-D24 VanDerWaalsContact SG-OD2 3.4Å; S21-D24 WeakPolarHBondContact CB-OD2 3.46Å; S21-D24 PolarHBondContact O-N 3.02Å; S21-D24 VanDerWaalsContact O-N 3.11Å; S21-D24 WeakPolarHBondContact OG-CB 3.41Å; S21-D24 PolarHBondContact OG-N 3.43Å; S21-D24 PolarHBondContact OG-OD2 2.98Å; D24-E27 PolarHBondContact O-N 3.44Å; D24-L28 PolarHBondContact O-N 3.44Å
25I98.3Very high96.9Very high9 Ų959.1 Ų59.15%0.04632%0.324CS..Hα-helixtrans-64.2-42.9176.1-61.5-66.1000110.6I14 Y20 S21 E27 L28 Q29 Y101 L150 F175I14-I25 HydrophobicContact CD1-CD1 4.32Å; I14-I25 HydrophobicContact CG2-CD1 4.48Å; Y20-I25 HydrophobicContact CD1-CD1 4.32Å; S21-I25 WeakPolarHBondContact O-CG1 3.47Å; S21-I25 PolarHBondContact O-N 3.44Å; I25-E27 VanDerWaalsContact C-N 3.34Å; I25-E27 PolarHBondContact O-N 3.48Å; I25-L28 PolarHBondContact O-N 2.96Å; I25-Q29 WeakPolarHBondContact O-CB 3.26Å; I25-Q29 PolarHBondContact O-N 3.28Å; I25-Y101 HydrophobicContact CD1-CD1 3.94Å; I25-Y101 HydrophobicContact CD1-CE1 3.98Å; I25-Y101 HydrophobicContact CD1-CG 4.29Å; I25-Y101 HydrophobicContact CG1-CE1 4.21Å; I25-L150 HydrophobicContact CG2-CD1 3.81Å; I25-L150 HydrophobicContact CG2-CD2 3.71Å; I25-L150 HydrophobicContact CG2-CG 4.45Å; I25-F175 HydrophobicContact CD1-CE2 3.6Å; I25-F175 HydrophobicContact CD1-CZ 3.69Å
26A98.2Very high96.9Very high50 Ų5066.4 Ų66.441%0.41335%0.35SS..Hα-helixtrans-64.8-37.7176.900000112.2T22 A23 Q29 R30T22-A26 WeakPolarHBondContact O-CB 3.41Å; T22-A26 PolarHBondContact O-N 3.13Å; A23-A26 PolarHBondContact O-N 3.25Å; A26-Q29 PolarHBondContact O-N 2.86Å; A26-R30 WeakPolarHBondContact O-CB 3.47Å; A26-R30 PolarHBondContact O-N 3.38Å
27E98.1Very high97Very high88 Ų8861.4 Ų61.441%0.41134%0.335SS..Hα-helixtrans-65.3-45174.6-177.2175.9-15800111.8K10 A23 D24 I25 R30 L31K10-E27 WeakPolarHBondContact CE-OE2 3.32Å; K10-E27 IonicContact NZ-OE2 2.72Å; K10-E27 PolarHBondContact NZ-OE2 2.74Å; A23-E27 WeakPolarHBondContact O-CB 3.27Å; A23-E27 PolarHBondContact O-N 3.14Å; D24-E27 PolarHBondContact O-N 3.44Å; I25-E27 VanDerWaalsContact C-N 3.34Å; I25-E27 PolarHBondContact O-N 3.48Å; E27-R30 WeakPolarHBondContact O-CB 3.3Å; E27-R30 PolarHBondContact O-N 2.78Å; E27-L31 PolarHBondContact O-N 2.81Å
28L98.6Very high97.1Very high0 Ų061.3 Ų61.30%033%0.332CS..Hα-helixtrans-61.2-46.8175-179.660000111I7 K10 A11 I14 D24 I25 R30 L31 V32 L103 F175I7-L28 HydrophobicContact CG2-CD1 4.04Å; K10-L28 HydrophobicContact CB-CD1 4.01Å; K10-L28 HydrophobicContact CG-CB 3.89Å; K10-L28 HydrophobicContact CG-CD1 3.96Å; K10-L28 HydrophobicContact CG-CG 4.44Å; A11-L28 HydrophobicContact CB-CD1 4.44Å; A11-L28 HydrophobicContact CB-CD2 4.06Å; I14-L28 HydrophobicContact CD1-CB 4.16Å; I14-L28 HydrophobicContact CD1-CD2 3.95Å; D24-L28 PolarHBondContact O-N 3.44Å; I25-L28 PolarHBondContact O-N 2.96Å; L28-R30 VanDerWaalsContact C-N 3.25Å; L28-R30 PolarHBondContact O-N 2.95Å; L28-L31 WeakPolarHBondContact O-CB 3.31Å; L28-L31 PolarHBondContact O-N 2.62Å; L28-L31 VanDerWaalsContact O-N 3.08Å; L28-V32 HydrophobicContact CD1-CG2 4.18Å; L28-V32 HydrophobicContact CG-CG2 4.39Å; L28-V32 WeakPolarHBondContact O-CG2 3.28Å; L28-V32 PolarHBondContact O-N 2.8Å; L28-L103 HydrophobicContact CB-CD1 4.39Å; L28-L103 HydrophobicContact CD2-CD1 3.92Å; L28-L103 HydrophobicContact CG-CD1 3.67Å; L28-F175 HydrophobicContact CD2-CD1 4.2Å; L28-F175 HydrophobicContact CD2-CE1 3.48Å; L28-F175 VanDerWaalsContact CD2-CE1 3.48Å; L28-F175 HydrophobicContact CD2-CE2 4.12Å; L28-F175 HydrophobicContact CD2-CZ 3.44Å; L28-F175 VanDerWaalsContact CD2-CZ 3.44Å
29Q98.7Very high97.4Very high53 Ų5359.6 Ų59.625%0.24832%0.316CS..Hα-helixtrans-56.3-41175.5-177.4177.120.300111.5I25 A26 V32 S33 L103 A148I25-Q29 WeakPolarHBondContact O-CB 3.26Å; I25-Q29 PolarHBondContact O-N 3.28Å; A26-Q29 PolarHBondContact O-N 2.86Å; Q29-V32 PolarHBondContact O-N 3.39Å; Q29-S33 VanDerWaalsContact O-CB 3.26Å; Q29-S33 WeakPolarHBondContact O-CB 3.2Å; Q29-S33 PolarHBondContact O-N 3.11Å; Q29-S33 PolarHBondContact O-OG 2.69Å; Q29-L103 HydrophobicContact CB-CD1 4.44Å; Q29-L103 HydrophobicContact CB-CD2 3.71Å; Q29-L103 HydrophobicContact CG-CD2 3.66Å; Q29-A148 HydrophobicContact CG-CB 4.47Å; Q29-A148 PolarHBondContact NE2-O 2.94Å
30R98.7Very high97.7Very high142 Ų14257.4 Ų57.454%0.53630%0.301SS..Hα-helixtrans-63.1-40.9176.8-171.3-168.463.271.61.9111.9A26 E27 L28A26-R30 WeakPolarHBondContact O-CB 3.47Å; A26-R30 PolarHBondContact O-N 3.38Å; E27-R30 WeakPolarHBondContact O-CB 3.3Å; E27-R30 PolarHBondContact O-N 2.78Å; L28-R30 VanDerWaalsContact C-N 3.25Å; L28-R30 PolarHBondContact O-N 2.95Å
31L98.7Very high97.7Very high21 Ų2161.2 Ų61.211%0.1132%0.319CS..Hα-helixtrans-64.7-49.6175.4-68.6171000111.2L3 I7 K10 E27 L28 S33 T34L3-L31 HydrophobicContact CD1-CD2 4.39Å; I7-L31 HydrophobicContact CG1-CB 3.77Å; K10-L31 HydrophobicContact CB-CD1 4.12Å; K10-L31 HydrophobicContact CG-CD1 4.37Å; E27-L31 PolarHBondContact O-N 2.81Å; L28-L31 WeakPolarHBondContact O-CB 3.31Å; L28-L31 PolarHBondContact O-N 2.62Å; L28-L31 VanDerWaalsContact O-N 3.08Å; L31-S33 VanDerWaalsContact C-N 3.25Å; L31-S33 PolarHBondContact O-N 3.25Å; L31-T34 PolarHBondContact O-N 2.82Å; L31-T34 VanDerWaalsContact O-N 3.07Å; L31-T34 PolarHBondContact O-OG1 3.01Å
32V98.8Very high97.6Very high0 Ų060.2 Ų60.20%031%0.31CS..Hα-helixtrans-61.8-35.6179.11800000111.3I7 L28 Q29 T34 V35 L103 K105 A148 F171 V173I7-V32 HydrophobicContact CD1-CG2 4.09Å; I7-V32 HydrophobicContact CG1-CG2 4.1Å; I7-V32 HydrophobicContact CG2-CG2 3.78Å; L28-V32 HydrophobicContact CD1-CG2 4.18Å; L28-V32 HydrophobicContact CG-CG2 4.39Å; L28-V32 WeakPolarHBondContact O-CG2 3.28Å; L28-V32 PolarHBondContact O-N 2.8Å; Q29-V32 PolarHBondContact O-N 3.39Å; V32-T34 PolarHBondContact O-N 3.34Å; V32-T34 VanDerWaalsContact O-N 3.13Å; V32-V35 WeakPolarHBondContact O-CB 3.33Å; V32-V35 WeakPolarHBondContact O-CG2 3.15Å; V32-V35 PolarHBondContact O-N 3.16Å; V32-V35 VanDerWaalsContact O-N 3.11Å; V32-L103 HydrophobicContact CB-CD1 4.39Å; V32-L103 HydrophobicContact CG1-CB 4.13Å; V32-L103 HydrophobicContact CG2-CB 4.49Å; V32-L103 HydrophobicContact CG2-CD1 3.93Å; V32-K105 HydrophobicContact CG1-CB 3.92Å; V32-K105 WeakPolarHBondContact O-CG 3.38Å; V32-A148 HydrophobicContact CB-CB 4.18Å; V32-A148 HydrophobicContact CG1-CB 3.78Å; V32-F171 HydrophobicContact CG1-CD1 4.28Å; V32-F171 HydrophobicContact CG1-CE1 4.5Å; V32-V173 HydrophobicContact CG1-CG2 4.14Å; V32-V173 HydrophobicContact CG2-CB 4.45Å; V32-V173 HydrophobicContact CG2-CG2 3.7Å
33S98.7Very high97.3Very high31 Ų3157.6 Ų57.622%0.21729%0.291CS..THydrogen-bonded Turntrans-62.5-20.1177-62.30000114Q29 L31 K105 A148Q29-S33 VanDerWaalsContact O-CB 3.26Å; Q29-S33 WeakPolarHBondContact O-CB 3.2Å; Q29-S33 PolarHBondContact O-N 3.11Å; Q29-S33 PolarHBondContact O-OG 2.69Å; L31-S33 VanDerWaalsContact C-N 3.25Å; L31-S33 PolarHBondContact O-N 3.25Å; S33-K105 WeakPolarHBondContact O-CE 3.34Å; S33-A148 PolarHBondContact OG-N 2.83Å
34T98.3Very high96.9Very high70 Ų7054.7 Ų54.743%0.42927%0.267SS..THydrogen-bonded Turntrans-90.4-6.317861.30000114.4L3 L31 V32L3-T34 WeakPolarHBondContact CD2-OG1 3.3Å; L31-T34 PolarHBondContact O-N 2.82Å; L31-T34 VanDerWaalsContact O-N 3.07Å; L31-T34 PolarHBondContact O-OG1 3.01Å; V32-T34 PolarHBondContact O-N 3.34Å; V32-T34 VanDerWaalsContact O-N 3.13Å
35V98.5Very high96.4Very high2 Ų259.5 Ų59.51%0.01229%0.288CS..  trans-67.4135.4-177.9176.40000110.9L3 I4 I7 V32 L40 K105 I107 F171L3-V35 HydrophobicContact CD2-CB 4.37Å; L3-V35 HydrophobicContact CD2-CG2 3.77Å; L3-V35 HydrophobicContact CG-CG2 4.16Å; I4-V35 HydrophobicContact CD1-CG1 4.15Å; I4-V35 HydrophobicContact CD1-CG2 4.16Å; I7-V35 HydrophobicContact CD1-CG2 3.26Å; V32-V35 WeakPolarHBondContact O-CB 3.33Å; V32-V35 WeakPolarHBondContact O-CG2 3.15Å; V32-V35 PolarHBondContact O-N 3.16Å; V32-V35 VanDerWaalsContact O-N 3.11Å; V35-L40 HydrophobicContact CG1-CD1 3.74Å; V35-L40 HydrophobicContact CG1-CG 4.12Å; V35-K105 HydrophobicContact CB-CG 4.37Å; V35-K105 WeakPolarHBondContact O-CE 3.19Å; V35-I107 HydrophobicContact CG1-CG2 4.07Å; V35-F171 HydrophobicContact CB-CD1 4.49Å; V35-F171 HydrophobicContact CG1-CD1 4.12Å; V35-F171 HydrophobicContact CG2-CD1 4.29Å; V35-F171 HydrophobicContact CG2-CE1 4.38Å
36R97.7Very high95.9Very high171 Ų17163.8 Ų63.865%0.64531%0.31SS*.  trans-120.6167.9171.4-54.3177.9174.6-120-4.3110.6E38 D39R36-E38 WeakPolarHBondContact CB-OE2 3.11Å; R36-E38 PolarHBondContact O-N 3.49Å; R36-D39 PolarHBondContact N-OD2 3.12Å; R36-D39 PolarHBondContact O-N 3.47Å
37A97.4Very high95.3Very high18 Ų1861.4 Ų61.415%0.14929%0.291CS..G310 helixtrans-57.8-34.5177.200000112.3D39 L40 K41 Y42 I107A37-D39 PolarHBondContact O-N 3.45Å; A37-L40 CarbonylContact O-C 3.57Å; A37-L40 PolarHBondContact O-N 2.89Å; A37-K41 PolarHBondContact O-N 2.84Å; A37-K41 VanDerWaalsContact O-N 3.12Å; A37-Y42 PolarHBondContact O-N 3.49Å; A37-I107 HydrophobicContact CB-CB 4.34Å
38E96.1Very high94.7Very high140 Ų14057.6 Ų57.665%0.65427%0.273SS*.G310 helixtrans-68-33-180-5878.5-168.700112.9R36 L40 K41R36-E38 WeakPolarHBondContact CB-OE2 3.11Å; R36-E38 PolarHBondContact O-N 3.49Å; E38-L40 PolarHBondContact O-N 2.88Å; E38-K41 PolarHBondContact O-N 3.26Å; E38-K41 VanDerWaalsContact O-N 3.12Å
39D97Very high94.2Very high66 Ų6661 Ų6135%0.35329%0.292SS..G310 helixtrans-64.6-26.6177.1-62.3-58.1000111.8I4 R36 A37I4-D39 HydrophobicContact CD1-CB 4.33Å; R36-D39 PolarHBondContact N-OD2 3.12Å; R36-D39 PolarHBondContact O-N 3.47Å; A37-D39 PolarHBondContact O-N 3.45Å
40L97.2Very high93.3Very high0 Ų063.7 Ų63.70%030%0.303CS..G310 helixtrans-98.6-2.9178.5-67.4162.3000112.5I4 V35 A37 E38 Y42 V73 I83 I107 F171 Y224I4-L40 HydrophobicContact CD1-CD2 3.49Å; I4-L40 VanDerWaalsContact CD1-CD2 3.49Å; I4-L40 HydrophobicContact CD1-CG 3.93Å; I4-L40 HydrophobicContact CG1-CD2 3.85Å; I4-L40 HydrophobicContact CG1-CG 4.47Å; V35-L40 HydrophobicContact CG1-CD1 3.74Å; V35-L40 HydrophobicContact CG1-CG 4.12Å; A37-L40 CarbonylContact O-C 3.57Å; A37-L40 PolarHBondContact O-N 2.89Å; E38-L40 PolarHBondContact O-N 2.88Å; L40-Y42 PolarHBondContact O-N 3.12Å; L40-Y42 VanDerWaalsContact O-N 3.16Å; L40-V73 HydrophobicContact CD2-CG1 4.15Å; L40-V73 HydrophobicContact CD2-CG2 4.04Å; L40-I83 HydrophobicContact CB-CD1 4Å; L40-I83 HydrophobicContact CD1-CD1 3.86Å; L40-I83 HydrophobicContact CD1-CG1 4.08Å; L40-I83 HydrophobicContact CD2-CD1 4.19Å; L40-I83 HydrophobicContact CG-CD1 4.24Å; L40-I107 HydrophobicContact CD1-CD1 3.72Å; L40-I107 HydrophobicContact CD1-CG2 4.13Å; L40-F171 HydrophobicContact CD1-CB 3.83Å; L40-F171 HydrophobicContact CD1-CD2 3.94Å; L40-F171 HydrophobicContact CD1-CG 3.89Å; L40-F171 HydrophobicContact CD2-CD2 4Å; L40-F171 HydrophobicContact CD2-CE2 4Å; L40-Y224 HydrophobicContact CB-CE2 4.39Å; L40-Y224 HydrophobicContact CD2-CE2 4.46Å; L40-Y224 WeakPolarHBondContact O-CE2 3.48Å; L40-Y224 PolarHBondContact O-OH 2.97Å
41K94.9Very high92.3Very high149 Ų14957 Ų5765%0.64828%0.278SS*.THydrogen-bonded Turntrans46.438.3-167.3-54.3-168.3-173.2172.40112.8A37 E38A37-K41 PolarHBondContact O-N 2.84Å; A37-K41 VanDerWaalsContact O-N 3.12Å; E38-K41 PolarHBondContact O-N 3.26Å; E38-K41 VanDerWaalsContact O-N 3.12Å
42Y93.7Very high91.3Very high20 Ų2061.6 Ų61.68%0.07829%0.294CS..  trans-99.9136.9-173.2-162.7-99.6000111.7A37 L40 A47 T71 I83 C85 I107 A169 Y222A37-Y42 PolarHBondContact O-N 3.49Å; L40-Y42 PolarHBondContact O-N 3.12Å; L40-Y42 VanDerWaalsContact O-N 3.16Å; Y42-A47 HydrophobicContact CE1-CB 4.32Å; Y42-A47 HydrophobicContact CE2-CB 4.48Å; Y42-A47 WeakPolarHBondContact OH-CB 3.45Å; Y42-T71 HydrophobicContact CD2-CG2 4.44Å; Y42-T71 HydrophobicContact CE2-CG2 3.96Å; Y42-T71 WeakPolarHBondContact CE2-OG1 3.35Å; Y42-T71 PolarHBondContact OH-OG1 2.77Å; Y42-I83 HydrophobicContact CD1-CD1 4.46Å; Y42-I83 HydrophobicContact CD1-CG2 3.9Å; Y42-I83 HydrophobicContact CD2-CD1 3.43Å; Y42-I83 VanDerWaalsContact CD2-CD1 3.43Å; Y42-I83 HydrophobicContact CD2-CG2 4.27Å; Y42-I83 HydrophobicContact CE1-CG2 3.65Å; Y42-I83 HydrophobicContact CE2-CB 4.31Å; Y42-I83 HydrophobicContact CE2-CD1 4.01Å; Y42-I83 HydrophobicContact CE2-CG2 4.05Å; Y42-I83 HydrophobicContact CG-CD1 3.68Å; Y42-I83 HydrophobicContact CG-CG2 4.19Å; Y42-C85 HydrophobicContact CE1-CB 4.26Å; Y42-I107 HydrophobicContact CD1-CD1 4.1Å; Y42-I107 HydrophobicContact CG-CD1 4.42Å; Y42-A169 HydrophobicContact CD1-CB 4.27Å; Y42-A169 HydrophobicContact CE1-CB 4Å; Y42-Y222 HydrophobicContact CE2-CD1 4.23Å
43N90.6Very high90.2Very high73 Ų7364.7 Ų64.739%0.3932%0.315SS..  trans-125.6111.3174-177.4-41.6000109.1E45 L46 A47N43-E45 VanDerWaalsContact C-N 3.35Å; N43-E45 PolarHBondContact O-N 3.25Å; N43-E45 WeakPolarHBondContact OD1-CB 3.39Å; N43-E45 PolarHBondContact OD1-N 3.12Å; N43-L46 HydrophobicContact CB-CB 4.09Å; N43-L46 HydrophobicContact CB-CD1 3.86Å; N43-L46 HydrophobicContact CB-CG 4.05Å; N43-L46 PolarHBondContact O-N 2.82Å; N43-L46 PolarHBondContact OD1-N 3.27Å; N43-A47 PolarHBondContact O-N 2.83Å; N43-A47 VanDerWaalsContact O-N 3.14Å
44A88.1Confident88.6Confident7 Ų769.4 Ų69.46%0.05833%0.332CS..Hα-helixtrans-63.4-38.5-177.800000112.7A47 L48 D108 A169A44-A47 PolarHBondContact O-N 2.88Å; A44-L48 WeakPolarHBondContact O-CB 3.42Å; A44-L48 VanDerWaalsContact O-CG 3.24Å; A44-L48 WeakPolarHBondContact O-CG 3.48Å; A44-L48 PolarHBondContact O-N 3.39Å; A44-D108 HydrophobicContact CB-CB 4.45Å; A44-A169 HydrophobicContact CB-CB 3.99Å
45E88.2Confident86.9Confident139 Ų13967.7 Ų67.765%0.6532%0.319SS*.Hα-helixtrans-64.7-46.2178.9-63-175.6159.900111.1N43 A47 L48 D49N43-E45 VanDerWaalsContact C-N 3.35Å; N43-E45 PolarHBondContact O-N 3.25Å; N43-E45 WeakPolarHBondContact OD1-CB 3.39Å; N43-E45 PolarHBondContact OD1-N 3.12Å; E45-A47 VanDerWaalsContact C-N 3.35Å; E45-A47 PolarHBondContact O-N 2.87Å; E45-L48 PolarHBondContact O-N 2.75Å; E45-D49 VanDerWaalsContact O-CB 3.32Å; E45-D49 WeakPolarHBondContact O-CB 3.4Å; E45-D49 PolarHBondContact O-N 3.45Å
46L86.6Confident85.2Confident99 Ų9972.3 Ų72.352%0.51835%0.352SS..Hα-helixtrans-60.7-43.5177-70.7179000112N43 D49 F50N43-L46 HydrophobicContact CB-CB 4.09Å; N43-L46 HydrophobicContact CB-CD1 3.86Å; N43-L46 HydrophobicContact CB-CG 4.05Å; N43-L46 PolarHBondContact O-N 2.82Å; N43-L46 PolarHBondContact OD1-N 3.27Å; L46-D49 PolarHBondContact O-N 2.88Å; L46-F50 WeakPolarHBondContact O-CB 3.43Å; L46-F50 PolarHBondContact O-N 3.06Å
47A86.5Confident83.5Confident0 Ų072.3 Ų72.30%036%0.357CS..Hα-helixtrans-62.5-43.317800000112.1Y42 N43 A44 E45 S51 V69 Y222Y42-A47 HydrophobicContact CE1-CB 4.32Å; Y42-A47 HydrophobicContact CE2-CB 4.48Å; Y42-A47 WeakPolarHBondContact OH-CB 3.45Å; N43-A47 PolarHBondContact O-N 2.83Å; N43-A47 VanDerWaalsContact O-N 3.14Å; A44-A47 PolarHBondContact O-N 2.88Å; E45-A47 VanDerWaalsContact C-N 3.35Å; E45-A47 PolarHBondContact O-N 2.87Å; A47-S51 PolarHBondContact O-N 3.43Å; A47-V69 HydrophobicContact CB-CG1 4.29Å; A47-Y222 HydrophobicContact CB-CD1 4.01Å; A47-Y222 HydrophobicContact CB-CE1 4.16Å; A47-Y222 HydrophobicContact CB-CG 4.21Å
48L86.5Confident81.6Confident8 Ų879.7 Ų79.74%0.04238%0.381CS..Hα-helixtrans-71.2-39.1178.6-68.6172.4000112.6A44 E45 S51 R52 V69 C85 P87 P167A44-L48 WeakPolarHBondContact O-CB 3.42Å; A44-L48 VanDerWaalsContact O-CG 3.24Å; A44-L48 WeakPolarHBondContact O-CG 3.48Å; A44-L48 PolarHBondContact O-N 3.39Å; E45-L48 PolarHBondContact O-N 2.75Å; L48-S51 PolarHBondContact O-N 2.83Å; L48-R52 VanDerWaalsContact O-CG 3.31Å; L48-R52 WeakPolarHBondContact O-CG 3.4Å; L48-R52 PolarHBondContact O-N 2.59Å; L48-V69 HydrophobicContact CD2-CG2 4.29Å; L48-C85 VanDerWaalsContact CG-SG 3.6Å; L48-P87 HydrophobicContact CD2-CB 4.48Å; L48-P87 HydrophobicContact CD2-CG 3.79Å; L48-P167 HydrophobicContact CD1-CB 3.52Å; L48-P167 HydrophobicContact CD1-CG 4.08Å
49D86.5Confident79.6Confident73 Ų7378.7 Ų78.739%0.3939%0.387SS..Hα-helixtrans-69.1-34.2177.6-76.9-13.2000112E45 L46 R52 S53E45-D49 VanDerWaalsContact O-CB 3.32Å; E45-D49 WeakPolarHBondContact O-CB 3.4Å; E45-D49 PolarHBondContact O-N 3.45Å; L46-D49 PolarHBondContact O-N 2.88Å; D49-R52 PolarHBondContact O-N 2.77Å; D49-R52 IonicContact OD1-CZ 3.01Å; D49-R52 IonicContact OD1-NH1 3.05Å; D49-R52 PolarHBondContact OD1-NH1 2.78Å; D49-S53 VanDerWaalsContact O-CB 3.3Å; D49-S53 WeakPolarHBondContact O-CB 3.37Å; D49-S53 PolarHBondContact O-N 2.91Å; D49-S53 PolarHBondContact O-OG 3.1Å
50F80.4Confident77.7Confident109 Ų10984.9 Ų84.948%0.47841%0.41SS..Hα-helixtrans-59.2-49.6170178.5-92.8000111.2L46 R52 S53 F54 Y222L46-F50 WeakPolarHBondContact O-CB 3.43Å; L46-F50 PolarHBondContact O-N 3.06Å; F50-R52 PolarHBondContact O-N 3.01Å; F50-S53 PolarHBondContact O-N 2.91Å; F50-F54 PolarHBondContact O-N 2.88Å; F50-Y222 HydrophobicContact CB-CD2 3.97Å; F50-Y222 HydrophobicContact CB-CE2 3.69Å; F50-Y222 AromaticContact CD1-CD2 3.57Å; F50-Y222 HydrophobicContact CD1-CD2 3.57Å; F50-Y222 HydrophobicContact CD1-CE2 4.02Å; F50-Y222 HydrophobicContact CD2-CE2 4.21Å; F50-Y222 HydrophobicContact CE1-CD2 4.18Å; F50-Y222 AromaticContact CG-CD2 3.78Å; F50-Y222 HydrophobicContact CG-CD2 3.78Å; F50-Y222 AromaticContact CG-CE2 3.71Å; F50-Y222 HydrophobicContact CG-CE2 3.71Å
51S77.3Confident75.7Confident2 Ų289.2 Ų89.21%0.01443%0.429CS..Hα-helixtrans-61.4-43178.71760000112.6A47 L48 F54 H55 P67 E220A47-S51 PolarHBondContact O-N 3.43Å; L48-S51 PolarHBondContact O-N 2.83Å; S51-F54 PolarHBondContact O-N 2.74Å; S51-H55 PolarHBondContact O-N 3.18Å; S51-H55 VanDerWaalsContact O-N 3.13Å; S51-H55 PolarHBondContact O-ND1 3.47Å; S51-H55 VanDerWaalsContact O-ND1 3.11Å; S51-P67 WeakPolarHBondContact OG-CD 3.39Å; S51-P67 WeakPolarHBondContact OG-CG 3.24Å; S51-E220 WeakPolarHBondContact CB-OE2 3.41Å; S51-E220 PolarHBondContact OG-OE2 3.15Å
52R78.7Confident73.8Confident116 Ų11688.6 Ų88.644%0.43844%0.438SS..Hα-helixtrans-63.4-41.5175.3-71.6168.7179.9168.6-2.5113L48 D49 F50 H55 S56 P66L48-R52 VanDerWaalsContact O-CG 3.31Å; L48-R52 WeakPolarHBondContact O-CG 3.4Å; L48-R52 PolarHBondContact O-N 2.59Å; D49-R52 PolarHBondContact O-N 2.77Å; D49-R52 IonicContact OD1-CZ 3.01Å; D49-R52 IonicContact OD1-NH1 3.05Å; D49-R52 PolarHBondContact OD1-NH1 2.78Å; F50-R52 PolarHBondContact O-N 3.01Å; R52-H55 PolarHBondContact O-N 3.02Å; R52-S56 PolarHBondContact O-N 3.12Å; R52-S56 PolarHBondContact O-OG 3.37Å; R52-S56 VanDerWaalsContact O-OG 3.08Å; R52-P66 HydrophobicContact CG-CB 4.4Å
53S75Confident72.2Confident66 Ų6691.8 Ų91.846%0.46245%0.454SS..Hα-helixtrans-65.6-43.9180-620000110.6D49 F50 H55 S56 F57D49-S53 VanDerWaalsContact O-CB 3.3Å; D49-S53 WeakPolarHBondContact O-CB 3.37Å; D49-S53 PolarHBondContact O-N 2.91Å; D49-S53 PolarHBondContact O-OG 3.1Å; F50-S53 PolarHBondContact O-N 2.91Å; S53-H55 VanDerWaalsContact C-N 3.27Å; S53-H55 PolarHBondContact O-N 3.09Å; S53-S56 PolarHBondContact O-N 3.18Å; S53-F57 WeakPolarHBondContact O-CD2 3.05Å
54F66.1Low71Confident129 Ų12998.2 Ų98.257%0.56648%0.478SS*.Hα-helixtrans-56.4-41.9173.7-169.5-102.6000111.8F50 S51 F57F50-F54 PolarHBondContact O-N 2.88Å; S51-F54 PolarHBondContact O-N 2.74Å; F54-F57 PolarHBondContact O-N 3.25Å
55H62.6Low70Confident34 Ų34100.9 Ų100.916%0.15749%0.494CS..Hα-helixtrans-68.8-35.3177.9-85.559.6000114.5S51 R52 S53 F57 W58 E220S51-H55 PolarHBondContact O-N 3.18Å; S51-H55 VanDerWaalsContact O-N 3.13Å; S51-H55 PolarHBondContact O-ND1 3.47Å; S51-H55 VanDerWaalsContact O-ND1 3.11Å; R52-H55 PolarHBondContact O-N 3.02Å; S53-H55 VanDerWaalsContact C-N 3.27Å; S53-H55 PolarHBondContact O-N 3.09Å; H55-F57 PolarHBondContact O-N 2.89Å; H55-F57 VanDerWaalsContact O-N 3.15Å; H55-W58 CarbonylContact O-C 3.54Å; H55-W58 PolarHBondContact O-N 3.24Å; H55-E220 VanDerWaalsContact CE1-CD 3.49Å; H55-E220 IonicContact CE1-OE1 3.58Å; H55-E220 PolarHBondContact CE1-OE1 3.4Å; H55-E220 IonicContact CE1-OE2 3.87Å; H55-E220 IonicContact ND1-OE1 3.08Å; H55-E220 IonicContact ND1-OE2 3.62Å
56S62.3Low69.4Low100 Ų10095.9 Ų95.970%0.69947%0.474SS*.Hα-helixtrans-61.9-23.3179.8-62.90000112.8R52 S53R52-S56 PolarHBondContact O-N 3.12Å; R52-S56 PolarHBondContact O-OG 3.37Å; R52-S56 VanDerWaalsContact O-OG 3.08Å; S53-S56 PolarHBondContact O-N 3.18Å
57F62.2Low69.3Low170 Ų17091.4 Ų91.475%0.74645%0.45SS*.THydrogen-bonded Turntrans-80.3-11.8174-68.9-76000114S53 F54 H55 P59S53-F57 WeakPolarHBondContact O-CD2 3.05Å; F54-F57 PolarHBondContact O-N 3.25Å; H55-F57 PolarHBondContact O-N 2.89Å; H55-F57 VanDerWaalsContact O-N 3.15Å; F57-P59 VanDerWaalsContact O-CD 3.3Å; F57-P59 WeakPolarHBondContact O-CD 3.21Å
58W57.8Low69.7Low174 Ų17491.6 Ų91.666%0.65945%0.452SS*.  trans-117.783.5179.7-9738.9000111.8H55 K60 F61H55-W58 CarbonylContact O-C 3.54Å; H55-W58 PolarHBondContact O-N 3.24Å; W58-K60 PolarHBondContact O-N 3.05Å; W58-F61 HydrophobicContact CB-CD2 4.48Å; W58-F61 HydrophobicContact CE3-CD2 4.35Å; W58-F61 AromaticContact CE3-CE2 3.71Å; W58-F61 HydrophobicContact CE3-CE2 3.71Å; W58-F61 HydrophobicContact CZ3-CE2 4.23Å; W58-F61 PolarHBondContact O-N 3.28Å
59P53.9Low70.1Confident119 Ų11991.3 Ų91.377%0.77345%0.45SS*.THydrogen-bonded Turntrans-68.74.9-173.325.8-34.2000115.6F57F57-P59 VanDerWaalsContact O-CD 3.3Å; F57-P59 WeakPolarHBondContact O-CD 3.21Å
60K57.2Low70.5Confident195 Ų19589.9 Ų89.985%0.84844%0.44SS*.THydrogen-bonded Turntrans-84.3-8.2177.3-71.2-171.1179.3179.40113.8W58 T62W58-K60 PolarHBondContact O-N 3.05Å; K60-T62 PolarHBondContact O-N 3.29Å
61F54.3Low71.3Confident92 Ų9284.7 Ų84.740%0.40442%0.417SS..  trans-92.3101176.3-74.6-72000110.8W58 E63W58-F61 HydrophobicContact CB-CD2 4.48Å; W58-F61 HydrophobicContact CE3-CD2 4.35Å; W58-F61 AromaticContact CE3-CE2 3.71Å; W58-F61 HydrophobicContact CE3-CE2 3.71Å; W58-F61 HydrophobicContact CZ3-CE2 4.23Å; W58-F61 PolarHBondContact O-N 3.28Å; F61-E63 PolarHBondContact O-N 3.13Å
62T55.4Low72.3Confident136 Ų13689.1 Ų89.183%0.83444%0.437SS*.  trans-83.511.5173.955.90000113.1K60K60-T62 PolarHBondContact O-N 3.29Å
63E60.8Low73.2Confident87 Ų8784.1 Ų84.141%0.40742%0.42SS..  trans-78.4138.6-176.4-77.8-179.4-163.100111.7F61 R218F61-E63 PolarHBondContact O-N 3.13Å; E63-R218 IonicContact OE1-NH1 2.97Å; E63-R218 PolarHBondContact OE1-NH1 3.43Å; E63-R218 IonicContact OE2-CZ 3.26Å; E63-R218 IonicContact OE2-NH1 3.87Å; E63-R218 PolarHBondContact OE2-NH1 2.69Å; E63-R218 IonicContact OE2-NH2 3.91Å; E63-R218 PolarHBondContact OE2-NH2 3.35Å
64K64.4Low74.2Confident208 Ų20883 Ų8390%0.90441%0.406SS*.SBendtrans-78.8-24.1-173.8-67.5-175.3178.2-178.80113.6
65T66.6Low75.7Confident63 Ų6379.3 Ų79.339%0.38740%0.396SS..SBendtrans-107.9126.3-175.348.20000110.1
66P75.9Confident77.2Confident34 Ų3479.8 Ų79.822%0.22140%0.4CS..PPolyproline II helixtrans-62.7157.6171.716.8-16000110.5R52 P87R52-P66 HydrophobicContact CG-CB 4.4Å; P66-P87 HydrophobicContact CB-CG 4.02Å; P66-P87 HydrophobicContact CG-CB 3.74Å; P66-P87 HydrophobicContact CG-CG 3.62Å
67P86.1Confident78.8Confident5 Ų582.3 Ų82.33%0.03241%0.405CS..PPolyproline II helixtrans-68.3161.4179.333.4-37.9000111S51 P87 R218 E220S51-P67 WeakPolarHBondContact OG-CD 3.39Å; S51-P67 WeakPolarHBondContact OG-CG 3.24Å; P67-P87 WeakPolarHBondContact O-CG 3.21Å; P67-R218 HydrophobicContact CB-CB 3.77Å; P67-E220 HydrophobicContact CB-CG 4.05Å; P67-E220 HydrophobicContact CG-CB 4.39Å; P67-E220 HydrophobicContact CG-CG 3.66Å; P67-E220 WeakPolarHBondContact CG-OE2 3.24Å
68C93.3Very high80.4Confident4 Ų475.7 Ų75.73%0.02738%0.377CS..EExtended strand (participates in β ladder)trans-66.3152163.6-630000109.1Y217 R218 C219 E220C68-Y217 HydrophobicContact CB-CE2 4.08Å; C68-R218 PolarHBondContact N-O 3.11Å; C68-C219 CarbonylContact O-C 3.59Å; C68-C219 VanDerWaalsContact O-CA 3.23Å; C68-C219 WeakPolarHBondContact O-CA 3.48Å; C68-E220 PolarHBondContact O-N 3Å
69V95.1Very high82.3Confident2 Ų267.4 Ų67.41%0.01235%0.346CS..EExtended strand (participates in β ladder)trans-111.3132.6176.3178.90000109.1A47 L48 F84 C85 E220 Y222A47-V69 HydrophobicContact CB-CG1 4.29Å; L48-V69 HydrophobicContact CD2-CG2 4.29Å; V69-F84 CarbonylContact O-C 3.55Å; V69-F84 VanDerWaalsContact O-CA 3.3Å; V69-F84 WeakPolarHBondContact O-CA 3.17Å; V69-C85 HydrophobicContact CB-CB 4.19Å; V69-C85 PolarHBondContact N-O 3.1Å; V69-C85 PolarHBondContact O-N 2.95Å; V69-E220 CarbonylContact C-O 3.56Å; V69-E220 WeakPolarHBondContact CA-O 3.36Å; V69-Y222 HydrophobicContact CG1-CG 4.23Å
70Y96.1Very high84.4Confident42 Ų4262.1 Ų62.117%0.16531%0.312CS..EExtended strand (participates in β ladder)trans-111.3130.6173.1168-91.5000109.3E72 N80 C82 I83 F84 C219 E220 V221 Y222Y70-E72 HydrophobicContact CE1-CB 3.74Å; Y70-E72 PolarHBondContact OH-OE2 3.08Å; Y70-E72 VanDerWaalsContact OH-OE2 3.11Å; Y70-N80 PolarHBondContact OH-ND2 2.98Å; Y70-C82 HydrophobicContact CD2-CB 3.92Å; Y70-C82 HydrophobicContact CE2-CB 3.24Å; Y70-I83 CarbonylContact C-O 3.5Å; Y70-I83 WeakPolarHBondContact CA-O 3.29Å; Y70-F84 HydrophobicContact CD2-CD1 4.37Å; Y70-F84 AromaticContact CD2-CE1 3.75Å; Y70-F84 HydrophobicContact CD2-CE1 3.75Å; Y70-F84 HydrophobicContact CD2-CE2 4.31Å; Y70-F84 AromaticContact CD2-CZ 3.72Å; Y70-F84 HydrophobicContact CD2-CZ 3.72Å; Y70-F84 HydrophobicContact CE2-CZ 4.34Å; Y70-F84 HydrophobicContact CG-CE1 4.42Å; Y70-C219 WeakPolarHBondContact CB-SG 3.32Å; Y70-E220 PolarHBondContact N-O 2.98Å; Y70-V221 HydrophobicContact CD1-CG2 4.27Å; Y70-V221 CarbonylContact O-C 3.52Å; Y70-V221 VanDerWaalsContact O-CA 3.31Å; Y70-V221 WeakPolarHBondContact O-CA 3.24Å; Y70-Y222 PolarHBondContact O-N 2.86Å
71T97.2Very high86.3Confident0 Ų052.9 Ų52.90%027%0.271CS..EExtended strand (participates in β ladder)trans-124.2114.3174.5-59.10000108.9Y42 V73 C82 I83 Y222 Y224Y42-T71 HydrophobicContact CD2-CG2 4.44Å; Y42-T71 HydrophobicContact CE2-CG2 3.96Å; Y42-T71 WeakPolarHBondContact CE2-OG1 3.35Å; Y42-T71 PolarHBondContact OH-OG1 2.77Å; T71-V73 PolarHBondContact O-N 2.96Å; T71-C82 CarbonylContact O-C 3.53Å; T71-C82 VanDerWaalsContact O-CA 3.28Å; T71-C82 WeakPolarHBondContact O-CA 3.16Å; T71-I83 PolarHBondContact N-O 3.02Å; T71-I83 PolarHBondContact O-N 2.92Å; T71-Y222 WeakPolarHBondContact CA-O 3.17Å; T71-Y222 PolarHBondContact OG1-O 2.61Å; T71-Y224 HydrophobicContact CG2-CD2 3.83Å; T71-Y224 HydrophobicContact CG2-CG 4.15Å
72E97.2Very high88.4Confident95 Ų9548.5 Ų48.544%0.44425%0.252SS..EExtended strand (participates in β ladder)trans-75.1115.8175.4-173.7166.396.900110.2Y70 Y224Y70-E72 HydrophobicContact CE1-CB 3.74Å; Y70-E72 PolarHBondContact OH-OE2 3.08Å; Y70-E72 VanDerWaalsContact OH-OE2 3.11Å; E72-Y224 WeakPolarHBondContact O-CB 3.45Å
73V97.8Very high90.5Very high11 Ų1142 Ų427%0.06721%0.213CC..EExtended strand (participates in β ladder)trans-83.7-44.5175.6174.20000109.7I4 L40 T71 L81 I83 F171 Y224I4-V73 HydrophobicContact CG2-CG1 3.94Å; L40-V73 HydrophobicContact CD2-CG1 4.15Å; L40-V73 HydrophobicContact CD2-CG2 4.04Å; T71-V73 PolarHBondContact O-N 2.96Å; V73-L81 HydrophobicContact CB-CB 4.07Å; V73-L81 WeakPolarHBondContact CB-O 3.48Å; V73-L81 HydrophobicContact CG1-CB 4.33Å; V73-L81 PolarHBondContact N-O 3Å; V73-I83 HydrophobicContact CG2-CD1 3.7Å; V73-I83 HydrophobicContact CG2-CG1 3.71Å; V73-F171 HydrophobicContact CB-CE2 4.36Å; V73-F171 HydrophobicContact CG1-CE2 4.42Å; V73-F171 HydrophobicContact CG2-CD2 4.4Å; V73-F171 HydrophobicContact CG2-CE2 4.11Å; V73-Y224 HydrophobicContact CB-CE1 4.36Å; V73-Y224 HydrophobicContact CB-CE2 4.45Å; V73-Y224 HydrophobicContact CG1-CD1 4.45Å; V73-Y224 HydrophobicContact CG1-CE1 3.82Å; V73-Y224 HydrophobicContact CG1-CE2 4.29Å; V73-Y224 HydrophobicContact CG2-CD2 3.99Å; V73-Y224 HydrophobicContact CG2-CE2 3.81Å; V73-Y224 HydrophobicContact CG2-CG 4.45Å
74Y97.1Very high92.2Very high43 Ų4339.1 Ų39.117%0.16920%0.199CC..EExtended strand (participates in β ladder)trans-164.2140.5178.9179.7-103.4000110.1D76 M79 L81 V229 L231Y74-D76 HydrophobicContact CE1-CB 4.1Å; Y74-D76 PolarHBondContact OH-OD2 2.87Å; Y74-D76 VanDerWaalsContact OH-OD2 3.13Å; Y74-M79 HydrophobicContact CD1-CG 3.96Å; Y74-M79 HydrophobicContact CD1-SD 4.13Å; Y74-M79 HydrophobicContact CE1-CE 4.15Å; Y74-M79 HydrophobicContact CE1-CG 4.08Å; Y74-M79 HydrophobicContact CE1-SD 4.18Å; Y74-L81 HydrophobicContact CD1-CD1 4.37Å; Y74-L81 HydrophobicContact CD1-CG 4.37Å; Y74-L81 PolarHBondContact N-O 2.93Å; Y74-L81 VanDerWaalsContact N-O 3.09Å; Y74-L81 PolarHBondContact O-N 3.08Å; Y74-V229 HydrophobicContact CD1-CG1 4.19Å; Y74-V229 HydrophobicContact CD2-CB 3.52Å; Y74-V229 HydrophobicContact CD2-CG1 3.72Å; Y74-V229 HydrophobicContact CD2-CG2 4.5Å; Y74-V229 HydrophobicContact CE1-CG1 4.44Å; Y74-V229 HydrophobicContact CE2-CB 4.14Å; Y74-V229 HydrophobicContact CE2-CG1 3.99Å; Y74-V229 HydrophobicContact CG-CB 3.79Å; Y74-V229 HydrophobicContact CG-CG1 3.81Å; Y74-V229 HydrophobicContact CG-CG2 4.39Å; Y74-L231 HydrophobicContact CE1-CD1 4.08Å; Y74-L231 HydrophobicContact CE1-CG 4.36Å; Y74-L231 VanDerWaalsContact OH-CD1 3.25Å; Y74-L231 WeakPolarHBondContact OH-CD1 3.39Å; Y74-L231 WeakPolarHBondContact OH-CG 3.41Å
75S95.9Very high93.8Very high52 Ų5229.2 Ų29.236%0.36416%0.156SC..EExtended strand (participates in β ladder)trans-146.5141.9170.3-160.70000110.3M79 N80S75-M79 WeakPolarHBondContact CA-O 3.41Å; S75-N80 PolarHBondContact OG-ND2 3.1Å
76D95.6Very high95.2Very high44 Ų4426.2 Ų26.224%0.23514%0.137CC..  trans-153.5-164.6172.673.9-13.5000110.4Y74 L78 M79 P177Y74-D76 HydrophobicContact CE1-CB 4.1Å; Y74-D76 PolarHBondContact OH-OD2 2.87Å; Y74-D76 VanDerWaalsContact OH-OD2 3.13Å; D76-L78 PolarHBondContact O-N 2.86Å; D76-L78 WeakPolarHBondContact OD1-CA 3.44Å; D76-L78 VanDerWaalsContact OD1-CB 3.32Å; D76-L78 WeakPolarHBondContact OD1-CB 3.23Å; D76-L78 PolarHBondContact OD1-N 2.97Å; D76-M79 PolarHBondContact N-O 2.82Å; D76-M79 PolarHBondContact OD1-N 3.04Å; D76-P177 WeakPolarHBondContact O-CG 3.4Å
77D94.4Very high96Very high153 Ų15324.8 Ų24.882%0.81813%0.128SC*.SBendtrans-74.5-1.2177.1-69.1-27.4000113.7P177D77-P177 VanDerWaalsContact C-CG 3.48Å; D77-P177 WeakPolarHBondContact O-CD 3.45Å; D77-P177 WeakPolarHBondContact O-CG 3.34Å
78L96.7Very high96.3Very high30 Ų3026.7 Ų26.716%0.15714%0.144CC..SBendtrans-111.1-34.6-176.8-54.7175.9000112.7A12 V15 R16 D76 P177 L231A12-L78 HydrophobicContact CB-CD1 3.92Å; V15-L78 HydrophobicContact CB-CD2 4.41Å; V15-L78 HydrophobicContact CG1-CB 4.41Å; V15-L78 HydrophobicContact CG1-CD2 3.85Å; V15-L78 WeakPolarHBondContact CG2-O 3.22Å; R16-L78 HydrophobicContact CG-CD1 4.04Å; R16-L78 HydrophobicContact CG-CD2 4.12Å; R16-L78 VanDerWaalsContact NE-CD1 3.32Å; D76-L78 PolarHBondContact O-N 2.86Å; D76-L78 WeakPolarHBondContact OD1-CA 3.44Å; D76-L78 VanDerWaalsContact OD1-CB 3.32Å; D76-L78 WeakPolarHBondContact OD1-CB 3.23Å; D76-L78 PolarHBondContact OD1-N 2.97Å; L78-P177 VanDerWaalsContact C-CD 3.46Å; L78-P177 WeakPolarHBondContact O-CD 3.38Å; L78-L231 HydrophobicContact CD1-CD1 4.14Å
79M97.3Very high96.3Very high0 Ų029 Ų290%017%0.168CC..  trans-158.2166.9-178.674.8-159.384.800113A8 A11 A12 Y74 S75 D76 L81 L174 F175 L231A8-M79 HydrophobicContact CB-SD 4.03Å; A8-M79 WeakPolarHBondContact O-CE 3.38Å; A11-M79 HydrophobicContact CB-CE 4.21Å; A11-M79 HydrophobicContact CB-SD 3.79Å; A12-M79 HydrophobicContact CB-CE 3.68Å; Y74-M79 HydrophobicContact CD1-CG 3.96Å; Y74-M79 HydrophobicContact CD1-SD 4.13Å; Y74-M79 HydrophobicContact CE1-CE 4.15Å; Y74-M79 HydrophobicContact CE1-CG 4.08Å; Y74-M79 HydrophobicContact CE1-SD 4.18Å; S75-M79 WeakPolarHBondContact CA-O 3.41Å; D76-M79 PolarHBondContact N-O 2.82Å; D76-M79 PolarHBondContact OD1-N 3.04Å; M79-L81 HydrophobicContact CG-CD2 4.06Å; M79-L81 HydrophobicContact CG-CG 4.16Å; M79-L81 HydrophobicContact SD-CD1 4.28Å; M79-L81 HydrophobicContact SD-CD2 3.97Å; M79-L81 HydrophobicContact SD-CG 4.15Å; M79-L174 CarbonylContact C-O 3.51Å; M79-L174 VanDerWaalsContact CA-O 3.31Å; M79-L174 WeakPolarHBondContact CA-O 3.22Å; M79-L174 WeakPolarHBondContact CB-O 3.38Å; M79-F175 HydrophobicContact CB-CB 4.13Å; M79-L231 HydrophobicContact CE-CD1 3.78Å; M79-L231 HydrophobicContact CE-CD2 4.4Å
80N97.6Very high96.3Very high9 Ų929.6 Ų29.65%0.04817%0.172CC..EExtended strand (participates in β ladder)trans-125.8122.9164.3177.6-96.1000108.9Y70 S75 C82 L174Y70-N80 PolarHBondContact OH-ND2 2.98Å; S75-N80 PolarHBondContact OG-ND2 3.1Å; N80-C82 PolarHBondContact OD1-SG 3.32Å; N80-C82 VanDerWaalsContact OD1-SG 3.37Å; N80-L174 HydrophobicContact CB-CB 4.3Å; N80-L174 PolarHBondContact N-O 3Å; N80-L174 PolarHBondContact O-N 2.78Å
81L98.4Very high96.2Very high0 Ų030.9 Ų30.90%018%0.18CC..EExtended strand (participates in β ladder)trans-111121.4173.4-48-172.8000107.5I4 A8 V73 Y74 M79 F171 D172 V173I4-L81 HydrophobicContact CG2-CD1 4.45Å; A8-L81 HydrophobicContact CB-CD1 3.95Å; V73-L81 HydrophobicContact CB-CB 4.07Å; V73-L81 WeakPolarHBondContact CB-O 3.48Å; V73-L81 HydrophobicContact CG1-CB 4.33Å; V73-L81 PolarHBondContact N-O 3Å; Y74-L81 HydrophobicContact CD1-CD1 4.37Å; Y74-L81 HydrophobicContact CD1-CG 4.37Å; Y74-L81 PolarHBondContact N-O 2.93Å; Y74-L81 VanDerWaalsContact N-O 3.09Å; Y74-L81 PolarHBondContact O-N 3.08Å; M79-L81 HydrophobicContact CG-CD2 4.06Å; M79-L81 HydrophobicContact CG-CG 4.16Å; M79-L81 HydrophobicContact SD-CD1 4.28Å; M79-L81 HydrophobicContact SD-CD2 3.97Å; M79-L81 HydrophobicContact SD-CG 4.15Å; L81-F171 HydrophobicContact CB-CE2 3.92Å; L81-F171 HydrophobicContact CB-CZ 4.06Å; L81-F171 HydrophobicContact CD1-CZ 4.37Å; L81-F171 HydrophobicContact CD2-CZ 4.44Å; L81-D172 WeakPolarHBondContact CA-O 3.23Å; L81-V173 HydrophobicContact CD2-CB 4Å; L81-V173 HydrophobicContact CD2-CG1 3.56Å; L81-V173 HydrophobicContact CD2-CG2 3.93Å
82C97.9Very high96.2Very high1 Ų131.1 Ų31.11%0.00718%0.181CC..EExtended strand (participates in β ladder)trans-144.7164.1-177.758.10000112.1Y70 T71 N80 F171 D172Y70-C82 HydrophobicContact CD2-CB 3.92Å; Y70-C82 HydrophobicContact CE2-CB 3.24Å; T71-C82 CarbonylContact O-C 3.53Å; T71-C82 VanDerWaalsContact O-CA 3.28Å; T71-C82 WeakPolarHBondContact O-CA 3.16Å; N80-C82 PolarHBondContact OD1-SG 3.32Å; N80-C82 VanDerWaalsContact OD1-SG 3.37Å; C82-F171 CarbonylContact O-C 3.46Å; C82-F171 WeakPolarHBondContact O-CA 3.37Å; C82-F171 WeakPolarHBondContact O-CD2 3.29Å; C82-D172 PolarHBondContact N-O 3.14Å; C82-D172 PolarHBondContact O-N 3.38Å
83I98.4Very high96.2Very high0 Ų027 Ų270%016%0.163CC..EExtended strand (participates in β ladder)trans-119.1127.3172.4-56.5161.7000107.2L40 Y42 Y70 T71 V73 I107 A169 F170 F171 Y224L40-I83 HydrophobicContact CB-CD1 4Å; L40-I83 HydrophobicContact CD1-CD1 3.86Å; L40-I83 HydrophobicContact CD1-CG1 4.08Å; L40-I83 HydrophobicContact CD2-CD1 4.19Å; L40-I83 HydrophobicContact CG-CD1 4.24Å; Y42-I83 HydrophobicContact CD1-CD1 4.46Å; Y42-I83 HydrophobicContact CD1-CG2 3.9Å; Y42-I83 HydrophobicContact CD2-CD1 3.43Å; Y42-I83 VanDerWaalsContact CD2-CD1 3.43Å; Y42-I83 HydrophobicContact CD2-CG2 4.27Å; Y42-I83 HydrophobicContact CE1-CG2 3.65Å; Y42-I83 HydrophobicContact CE2-CB 4.31Å; Y42-I83 HydrophobicContact CE2-CD1 4.01Å; Y42-I83 HydrophobicContact CE2-CG2 4.05Å; Y42-I83 HydrophobicContact CG-CD1 3.68Å; Y42-I83 HydrophobicContact CG-CG2 4.19Å; Y70-I83 CarbonylContact C-O 3.5Å; Y70-I83 WeakPolarHBondContact CA-O 3.29Å; T71-I83 PolarHBondContact N-O 3.02Å; T71-I83 PolarHBondContact O-N 2.92Å; V73-I83 HydrophobicContact CG2-CD1 3.7Å; V73-I83 HydrophobicContact CG2-CG1 3.71Å; I83-I107 HydrophobicContact CD1-CD1 4.48Å; I83-I107 HydrophobicContact CG1-CD1 4.48Å; I83-I107 HydrophobicContact CG2-CD1 3.88Å; I83-A169 HydrophobicContact CG2-CB 4.44Å; I83-F170 CarbonylContact C-O 3.53Å; I83-F170 VanDerWaalsContact CA-O 3.29Å; I83-F170 WeakPolarHBondContact CA-O 3.42Å; I83-F171 HydrophobicContact CG1-CD2 4.01Å; I83-Y224 HydrophobicContact CD1-CD2 4.46Å; I83-Y224 HydrophobicContact CD1-CE2 4.26Å
84F98Very high96.3Very high26 Ų2626.5 Ų26.511%0.11416%0.16CC..EExtended strand (participates in β ladder)trans-99.7138.4166-74.4-79.4000109.6V69 Y70 L86 I92 A169 F170V69-F84 CarbonylContact O-C 3.55Å; V69-F84 VanDerWaalsContact O-CA 3.3Å; V69-F84 WeakPolarHBondContact O-CA 3.17Å; Y70-F84 HydrophobicContact CD2-CD1 4.37Å; Y70-F84 AromaticContact CD2-CE1 3.75Å; Y70-F84 HydrophobicContact CD2-CE1 3.75Å; Y70-F84 HydrophobicContact CD2-CE2 4.31Å; Y70-F84 AromaticContact CD2-CZ 3.72Å; Y70-F84 HydrophobicContact CD2-CZ 3.72Å; Y70-F84 HydrophobicContact CE2-CZ 4.34Å; Y70-F84 HydrophobicContact CG-CE1 4.42Å; F84-L86 HydrophobicContact CB-CD1 3.93Å; F84-I92 HydrophobicContact CB-CD1 4.16Å; F84-I92 HydrophobicContact CD1-CD1 3.6Å; F84-I92 HydrophobicContact CD2-CD1 4.02Å; F84-I92 HydrophobicContact CE1-CD1 3.89Å; F84-I92 HydrophobicContact CE2-CD1 4.28Å; F84-I92 HydrophobicContact CG-CD1 3.66Å; F84-I92 HydrophobicContact CZ-CD1 4.21Å; F84-A169 CarbonylContact O-C 3.56Å; F84-A169 WeakPolarHBondContact O-CA 3.43Å; F84-F170 HydrophobicContact CB-CD1 4.3Å; F84-F170 HydrophobicContact CB-CD2 4.16Å; F84-F170 HydrophobicContact CB-CE1 3.78Å; F84-F170 HydrophobicContact CB-CE2 3.64Å; F84-F170 HydrophobicContact CB-CG 4.49Å; F84-F170 HydrophobicContact CB-CZ 3.44Å; F84-F170 VanDerWaalsContact CB-CZ 3.44Å; F84-F170 HydrophobicContact CD2-CD2 4.41Å; F84-F170 AromaticContact CD2-CE2 3.59Å; F84-F170 HydrophobicContact CD2-CE2 3.59Å; F84-F170 AromaticContact CD2-CZ 3.98Å; F84-F170 HydrophobicContact CD2-CZ 3.98Å; F84-F170 AromaticContact CG-CE2 3.99Å; F84-F170 HydrophobicContact CG-CE2 3.99Å; F84-F170 AromaticContact CG-CZ 3.95Å; F84-F170 HydrophobicContact CG-CZ 3.95Å; F84-F170 PolarHBondContact N-O 2.84Å; F84-F170 PolarHBondContact O-N 2.96Å
85C97.4Very high96.3Very high0 Ų025 Ų250%015%0.154CC..EExtended strand (participates in β ladder)trans-125.1118.8170.3-170.10000110.1Y42 L48 V69 T168 A169Y42-C85 HydrophobicContact CE1-CB 4.26Å; L48-C85 VanDerWaalsContact CG-SG 3.6Å; V69-C85 HydrophobicContact CB-CB 4.19Å; V69-C85 PolarHBondContact N-O 3.1Å; V69-C85 PolarHBondContact O-N 2.95Å; C85-T168 CarbonylContact C-O 3.59Å; C85-T168 VanDerWaalsContact CA-O 3.31Å; C85-T168 WeakPolarHBondContact CA-O 3.22Å; C85-A169 HydrophobicContact CB-CB 4.26Å
86L95.6Very high96.4Very high0 Ų023 Ų230%014%0.139CC..EExtended strand (participates in β ladder)trans-106.1124.6-175.2-82.662.3000108.7F84 S90 I92 V161 P167 T168 F170F84-L86 HydrophobicContact CB-CD1 3.93Å; L86-S90 WeakPolarHBondContact CB-OG 3.21Å; L86-I92 HydrophobicContact CD1-CD1 4.31Å; L86-I92 HydrophobicContact CD1-CG1 4.1Å; L86-I92 HydrophobicContact CD2-CG1 4.31Å; L86-I92 HydrophobicContact CG-CG1 4.5Å; L86-V161 HydrophobicContact CD2-CG1 4.39Å; L86-V161 WeakPolarHBondContact CD2-O 3.38Å; L86-P167 CarbonylContact O-C 3.56Å; L86-P167 WeakPolarHBondContact O-CA 3.37Å; L86-T168 PolarHBondContact N-O 3.14Å; L86-T168 PolarHBondContact O-N 3.38Å; L86-F170 HydrophobicContact CD1-CD1 4.46Å; L86-F170 HydrophobicContact CD1-CE1 3.57Å; L86-F170 HydrophobicContact CD1-CZ 4.19Å; L86-F170 HydrophobicContact CD2-CE1 4.27Å
87P93.9Very high96.4Very high3 Ų321.3 Ų21.32%0.01913%0.13CC..  trans-57.5155.8163.9-2027.3000112.6L48 P66 P67 G89 S90L48-P87 HydrophobicContact CD2-CB 4.48Å; L48-P87 HydrophobicContact CD2-CG 3.79Å; P66-P87 HydrophobicContact CB-CG 4.02Å; P66-P87 HydrophobicContact CG-CB 3.74Å; P66-P87 HydrophobicContact CG-CG 3.62Å; P67-P87 WeakPolarHBondContact O-CG 3.21Å; P87-G89 PolarHBondContact O-N 2.75Å; P87-S90 VanDerWaalsContact CD-OG 3.27Å; P87-S90 WeakPolarHBondContact CD-OG 3.39Å; P87-S90 WeakPolarHBondContact O-CB 3.3Å; P87-S90 PolarHBondContact O-N 3.48Å; P87-S90 VanDerWaalsContact O-N 3.13Å; P87-S90 PolarHBondContact O-OG 2.86Å
88A92.5Very high96.5Very high45 Ų4515.5 Ų15.537%0.37210%0.101SC..THydrogen-bonded Turntrans-56.9137.3168.700000111.1S90 S163A88-S90 VanDerWaalsContact C-N 3.3Å; A88-S163 CarbonylContact C-O 3.55Å; A88-S163 WeakPolarHBondContact CA-O 3.28Å
89G92.7Very high96.4Very high52 Ų5216.2 Ų16.254%0.53612%0.115SC..THydrogen-bonded Turntrans75.99.1-175.700000115.2P87 S163 P164P87-G89 PolarHBondContact O-N 2.75Å; G89-S163 PolarHBondContact N-O 2.89Å; G89-P164 PolarHBondContact N-O 3.43Å
90S93.6Very high96.4Very high15 Ų1516.2 Ų16.211%0.10512%0.115CC..EExtended strand (participates in β ladder)trans-105.6166.3177.374.80000112.7L86 P87 A88 S163L86-S90 WeakPolarHBondContact CB-OG 3.21Å; P87-S90 VanDerWaalsContact CD-OG 3.27Å; P87-S90 WeakPolarHBondContact CD-OG 3.39Å; P87-S90 WeakPolarHBondContact O-CB 3.3Å; P87-S90 PolarHBondContact O-N 3.48Å; P87-S90 VanDerWaalsContact O-N 3.13Å; P87-S90 PolarHBondContact O-OG 2.86Å; A88-S90 VanDerWaalsContact C-N 3.3Å; S90-S163 PolarHBondContact O-N 3.15Å
91E95.5Very high96.4Very high69 Ų6918 Ų1832%0.32212%0.122SC..EExtended strand (participates in β ladder)trans-145.1152.6175.962.7176.8-142.300111.2R160 V161 S162 Y217E91-R160 IonicContact OE1-CZ 2.7Å; E91-R160 IonicContact OE1-NE 3.51Å; E91-R160 IonicContact OE1-NH1 3.73Å; E91-R160 PolarHBondContact OE1-NH1 2.74Å; E91-R160 WeakPolarHBondContact OE2-CD 3.48Å; E91-R160 IonicContact OE2-CZ 2.77Å; E91-R160 IonicContact OE2-NE 3.02Å; E91-R160 IonicContact OE2-NH1 3.6Å; E91-R160 PolarHBondContact OE2-NH1 3.49Å; E91-V161 CarbonylContact C-O 3.45Å; E91-V161 VanDerWaalsContact CA-O 3.24Å; E91-V161 WeakPolarHBondContact CA-O 3.38Å; E91-S162 WeakPolarHBondContact CB-OG 3.39Å; E91-S162 PolarHBondContact OE2-OG 2.81Å; E91-Y217 WeakPolarHBondContact O-CD2 3.43Å
92I97.2Very high96.4Very high5 Ų518.3 Ų18.33%0.02613%0.125CC..EExtended strand (participates in β ladder)trans-83.5115.9151.4-55.2-171.9000106.1F84 L86 H95 R160 V161 F170 Y217F84-I92 HydrophobicContact CB-CD1 4.16Å; F84-I92 HydrophobicContact CD1-CD1 3.6Å; F84-I92 HydrophobicContact CD2-CD1 4.02Å; F84-I92 HydrophobicContact CE1-CD1 3.89Å; F84-I92 HydrophobicContact CE2-CD1 4.28Å; F84-I92 HydrophobicContact CG-CD1 3.66Å; F84-I92 HydrophobicContact CZ-CD1 4.21Å; L86-I92 HydrophobicContact CD1-CD1 4.31Å; L86-I92 HydrophobicContact CD1-CG1 4.1Å; L86-I92 HydrophobicContact CD2-CG1 4.31Å; L86-I92 HydrophobicContact CG-CG1 4.5Å; I92-H95 VanDerWaalsContact CG2-CE1 3.45Å; I92-H95 WeakPolarHBondContact CG2-CE1 3.12Å; I92-R160 WeakPolarHBondContact O-CG 3.41Å; I92-V161 PolarHBondContact N-O 2.81Å; I92-V161 PolarHBondContact O-N 2.99Å; I92-F170 HydrophobicContact CD1-CZ 3.68Å; I92-Y217 HydrophobicContact CB-CE2 4.33Å; I92-Y217 HydrophobicContact CG1-CE2 4.16Å; I92-Y217 HydrophobicContact CG2-CE2 4.3Å
93P97.5Very high96.5Very high9 Ų918.3 Ų18.36%0.05813%0.125CC..EExtended strand (participates in β ladder)trans-56.9163.6-177.2-23.130.5000112.2H95 Y187 P214 Y217P93-H95 PolarHBondContact O-N 2.84Å; P93-H95 VanDerWaalsContact O-N 3.12Å; P93-H95 PolarHBondContact O-ND1 3.28Å; P93-Y187 HydrophobicContact CB-CD1 4Å; P93-Y187 HydrophobicContact CB-CE1 4.34Å; P93-Y187 HydrophobicContact CG-CD1 4.48Å; P93-Y187 HydrophobicContact CG-CE1 4.46Å; P93-P214 HydrophobicContact CB-CB 3.94Å; P93-P214 HydrophobicContact CB-CG 4.09Å; P93-P214 HydrophobicContact CG-CB 3.64Å; P93-P214 HydrophobicContact CG-CG 3.85Å; P93-Y217 VanDerWaalsContact CG-CB 3.42Å; P93-Y217 HydrophobicContact CG-CD1 4.23Å; P93-Y217 HydrophobicContact CG-CD2 3.99Å; P93-Y217 HydrophobicContact CG-CG 3.62Å
94L98.1Very high96.5Very high1 Ų118.4 Ų18.41%0.00513%0.125CC..EExtended strand (participates in β ladder)trans-56.2120.5176.6176.356.6000111F116 H159 R160 Y187 F188 L190 L209L94-F116 HydrophobicContact CD1-CD2 3.55Å; L94-F116 HydrophobicContact CD1-CE2 3.57Å; L94-F116 HydrophobicContact CD2-CD2 4.29Å; L94-F116 HydrophobicContact CD2-CE2 4Å; L94-F116 HydrophobicContact CG-CE2 4.42Å; L94-H159 WeakPolarHBondContact CA-O 3.4Å; L94-H159 WeakPolarHBondContact CD1-O 3.38Å; L94-R160 HydrophobicContact CB-CB 4.36Å; L94-Y187 WeakPolarHBondContact O-CA 3.44Å; L94-F188 HydrophobicContact CD2-CB 4.24Å; L94-F188 HydrophobicContact CG-CB 4.18Å; L94-F188 PolarHBondContact O-N 2.93Å; L94-L190 HydrophobicContact CD2-CB 4.23Å; L94-L209 HydrophobicContact CD2-CD1 4.34Å; L94-L209 HydrophobicContact CD2-CD2 3.51Å
95H97.9Very high96.5Very high11 Ų1117.3 Ų17.35%0.05112%0.121CC..EExtended strand (participates in β ladder)trans-145.8172.8-176.665.6-74.5000112.2I92 P93 H97 Y158 H159 C185 H186 Y187I92-H95 VanDerWaalsContact CG2-CE1 3.45Å; I92-H95 WeakPolarHBondContact CG2-CE1 3.12Å; P93-H95 PolarHBondContact O-N 2.84Å; P93-H95 VanDerWaalsContact O-N 3.12Å; P93-H95 PolarHBondContact O-ND1 3.28Å; H95-H97 AromaticContact CD2-CD2 3.71Å; H95-H97 AromaticContact CD2-NE2 3.32Å; H95-H97 PolarHBondContact CD2-NE2 2.74Å; H95-H97 VanDerWaalsContact CD2-NE2 3.32Å; H95-H97 AromaticContact NE2-CD2 3.86Å; H95-H97 AromaticContact NE2-NE2 3.14Å; H95-H97 PolarHBondContact NE2-NE2 2.85Å; H95-H97 VanDerWaalsContact NE2-NE2 3.14Å; H95-Y158 CarbonylContact O-C 3.5Å; H95-Y158 VanDerWaalsContact O-CA 3.25Å; H95-Y158 WeakPolarHBondContact O-CA 3.44Å; H95-H159 AromaticContact CE1-CD2 3.95Å; H95-H159 AromaticContact CE1-NE2 3.68Å; H95-H159 PolarHBondContact N-O 3.46Å; H95-H159 PolarHBondContact ND1-O 2.7Å; H95-H159 AromaticContact NE2-CE1 3.77Å; H95-H159 AromaticContact NE2-NE2 3.54Å; H95-H159 PolarHBondContact O-N 2.95Å; H95-C185 VanDerWaalsContact CD2-SG 3.59Å; H95-H186 CarbonylContact C-O 3.51Å; H95-H186 WeakPolarHBondContact CA-O 3.43Å; H95-H186 WeakPolarHBondContact CB-O 3.48Å; H95-Y187 HydrophobicContact CB-CD1 3.69Å; H95-Y187 HydrophobicContact CB-CE1 3.8Å; H95-Y187 HydrophobicContact CB-CG 4.49Å
96D97.7Very high96.6Very high9 Ų917.5 Ų17.55%0.04812%0.122CC..  trans-124.8169.1177.275.1-11.8000113.3Y158 C185 H186 F188D96-Y158 HydrophobicContact CB-CD1 3.6Å; D96-Y158 HydrophobicContact CB-CE1 3.65Å; D96-Y158 HydrophobicContact CB-CG 4.34Å; D96-C185 PolarHBondContact O-SG 2.92Å; D96-H186 PolarHBondContact N-O 3.35Å; D96-H186 VanDerWaalsContact N-O 3.12Å; D96-H186 WeakPolarHBondContact OD1-CB 3.22Å; D96-H186 IonicContact OD1-CG 2.95Å; D96-H186 PolarHBondContact OD1-N 2.83Å; D96-H186 IonicContact OD1-ND1 3.62Å; D96-H186 PolarHBondContact OD1-ND1 3.49Å; D96-H186 VanDerWaalsContact OD1-ND1 3.08Å; D96-H186 IonicContact OD2-ND1 3.78Å; D96-F188 HydrophobicContact CB-CE2 3.94Å
97H96.7Very high96.7Very high9 Ų918 Ų184%0.04212%0.124CC..  trans-136.381.4170.6-64.4-111.6000109.3H95 G99 M100 N157 H159 Y178H95-H97 AromaticContact CD2-CD2 3.71Å; H95-H97 AromaticContact CD2-NE2 3.32Å; H95-H97 PolarHBondContact CD2-NE2 2.74Å; H95-H97 VanDerWaalsContact CD2-NE2 3.32Å; H95-H97 AromaticContact NE2-CD2 3.86Å; H95-H97 AromaticContact NE2-NE2 3.14Å; H95-H97 PolarHBondContact NE2-NE2 2.85Å; H95-H97 VanDerWaalsContact NE2-NE2 3.14Å; H97-G99 PolarHBondContact O-N 2.83Å; H97-M100 HydrophobicContact CB-CB 3.94Å; H97-M100 HydrophobicContact CB-CG 4.38Å; H97-M100 HydrophobicContact CB-SD 3.98Å; H97-M100 PolarHBondContact O-N 2.86Å; H97-M100 VanDerWaalsContact O-N 3.12Å; H97-N157 PolarHBondContact N-OD1 2.82Å; H97-N157 PolarHBondContact O-ND2 3.07Å; H97-N157 PolarHBondContact O-OD1 2.83Å; H97-H159 AromaticContact CD2-CE1 3.56Å; H97-H159 AromaticContact NE2-CE1 3.69Å; H97-Y178 AromaticContact CE1-CZ 3.57Å; H97-Y178 PolarHBondContact CE1-OH 2.95Å; H97-Y178 AromaticContact ND1-CE1 3.38Å; H97-Y178 WeakPolarHBondContact ND1-CE1 3.41Å; H97-Y178 AromaticContact ND1-CZ 3.33Å; H97-Y178 VanDerWaalsContact ND1-CZ 3.33Å; H97-Y178 PolarHBondContact ND1-OH 3.4Å
98P95.5Very high96.9Very high32 Ų3220.7 Ų20.721%0.20814%0.138CC..THydrogen-bonded Turntrans-54.9124.7-171.8-26.734.9000112.3M100 R183 D184P98-M100 PolarHBondContact O-N 2.84Å; P98-R183 WeakPolarHBondContact O-CD 3.25Å; P98-R183 WeakPolarHBondContact O-CG 3.39Å; P98-D184 WeakPolarHBondContact CD-O 3.42Å; P98-D184 WeakPolarHBondContact CG-O 3.43Å
99G95Very high97.1Very high44 Ų4418.8 Ų18.845%0.45412%0.123SC..THydrogen-bonded Turntrans69.913.2175.900000115.6H97H97-G99 PolarHBondContact O-N 2.83Å
100M97.4Very high97.3Very high1 Ų117.6 Ų17.61%0.00511%0.107CC..  trans-112.7151.1-177.3-57.4168.25800111.7H97 P98 T152 P153 L174 P176 Y178 R183H97-M100 HydrophobicContact CB-CB 3.94Å; H97-M100 HydrophobicContact CB-CG 4.38Å; H97-M100 HydrophobicContact CB-SD 3.98Å; H97-M100 PolarHBondContact O-N 2.86Å; H97-M100 VanDerWaalsContact O-N 3.12Å; P98-M100 PolarHBondContact O-N 2.84Å; M100-T152 CarbonylContact O-C 3.48Å; M100-P153 WeakPolarHBondContact O-CD 3.46Å; M100-L174 HydrophobicContact CE-CB 3.73Å; M100-L174 HydrophobicContact CE-CD1 4.28Å; M100-L174 HydrophobicContact CE-CD2 4.45Å; M100-L174 HydrophobicContact CE-CG 4.38Å; M100-P176 WeakPolarHBondContact CE-O 3.44Å; M100-P176 WeakPolarHBondContact CG-O 2.97Å; M100-Y178 HydrophobicContact CE-CD1 3.83Å; M100-Y178 HydrophobicContact CE-CD2 4.28Å; M100-Y178 HydrophobicContact CE-CE1 3.99Å; M100-Y178 HydrophobicContact CE-CE2 4.42Å; M100-Y178 HydrophobicContact CE-CG 4.04Å; M100-Y178 HydrophobicContact SD-CD1 3.55Å; M100-Y178 VanDerWaalsContact SD-CD1 3.55Å; M100-Y178 HydrophobicContact SD-CE1 3.89Å; M100-Y178 HydrophobicContact SD-CG 4.2Å; M100-R183 HydrophobicContact CG-CB 4.45Å; M100-R183 HydrophobicContact SD-CB 4.08Å
101Y98.3Very high97.6Very high46 Ų4616.9 Ų16.918%0.1810%0.102CC..EExtended strand (participates in β ladder)trans-90.7145.8161.3-69.9-98.9000109.2Y20 I25 L150 F151 T152 P153 L174 F175Y20-Y101 AromaticContact CD1-CD2 3.68Å; Y20-Y101 HydrophobicContact CD1-CD2 3.68Å; Y20-Y101 AromaticContact CD1-CE2 3.32Å; Y20-Y101 HydrophobicContact CD1-CE2 3.32Å; Y20-Y101 AromaticContact CE1-CD2 3.97Å; Y20-Y101 HydrophobicContact CE1-CD2 3.97Å; Y20-Y101 AromaticContact CE1-CE2 3.95Å; Y20-Y101 HydrophobicContact CE1-CE2 3.95Å; Y20-Y101 AromaticContact CG-CE2 3.88Å; Y20-Y101 HydrophobicContact CG-CE2 3.88Å; I25-Y101 HydrophobicContact CD1-CD1 3.94Å; I25-Y101 HydrophobicContact CD1-CE1 3.98Å; I25-Y101 HydrophobicContact CD1-CG 4.29Å; I25-Y101 HydrophobicContact CG1-CE1 4.21Å; Y101-L150 HydrophobicContact CD1-CD1 4.32Å; Y101-F151 WeakPolarHBondContact CA-O 3.17Å; Y101-T152 HydrophobicContact CD1-CG2 4.16Å; Y101-T152 HydrophobicContact CE1-CG2 4Å; Y101-P153 HydrophobicContact CD2-CG 4.1Å; Y101-P153 HydrophobicContact CE2-CG 3.85Å; Y101-L174 WeakPolarHBondContact O-CA 3.22Å; Y101-F175 VanDerWaalsContact CB-CZ 3.46Å; Y101-F175 HydrophobicContact CD2-CE2 4.22Å; Y101-F175 HydrophobicContact CG-CE2 4.03Å; Y101-F175 HydrophobicContact CG-CZ 4.05Å; Y101-F175 PolarHBondContact N-O 2.82Å; Y101-F175 PolarHBondContact O-N 2.91Å
102G98.4Very high97.7Very high7 Ų716 Ų167%0.07210%0.099CC..EExtended strand (participates in β ladder)trans-131.9135.9173.500000111.1F151 V173G102-F151 PolarHBondContact N-O 2.94Å; G102-F151 PolarHBondContact O-N 3.43Å; G102-V173 CarbonylContact C-O 3.58Å; G102-V173 WeakPolarHBondContact CA-O 3.44Å
103L98.8Very high97.8Very high1 Ų115.8 Ų15.81%0.00510%0.098CC..EExtended strand (participates in β ladder)trans-121.6113.6169.5-72.8162.7000109.1L28 Q29 V32 A148 S149 L150 D172 V173 F175L28-L103 HydrophobicContact CB-CD1 4.39Å; L28-L103 HydrophobicContact CD2-CD1 3.92Å; L28-L103 HydrophobicContact CG-CD1 3.67Å; Q29-L103 HydrophobicContact CB-CD1 4.44Å; Q29-L103 HydrophobicContact CB-CD2 3.71Å; Q29-L103 HydrophobicContact CG-CD2 3.66Å; V32-L103 HydrophobicContact CB-CD1 4.39Å; V32-L103 HydrophobicContact CG1-CB 4.13Å; V32-L103 HydrophobicContact CG2-CB 4.49Å; V32-L103 HydrophobicContact CG2-CD1 3.93Å; L103-A148 HydrophobicContact CD2-CB 4.37Å; L103-S149 WeakPolarHBondContact CA-O 3.41Å; L103-L150 HydrophobicContact CD2-CB 3.97Å; L103-L150 HydrophobicContact CD2-CD1 3.71Å; L103-L150 HydrophobicContact CD2-CG 4.44Å; L103-L150 HydrophobicContact CG-CD1 4.12Å; L103-D172 WeakPolarHBondContact O-CA 3.37Å; L103-V173 HydrophobicContact CB-CB 4.19Å; L103-V173 PolarHBondContact N-O 3.46Å; L103-V173 PolarHBondContact O-N 3.38Å; L103-F175 HydrophobicContact CD1-CE1 4.27Å
104L98.8Very high97.8Very high1 Ų118 Ų181%0.00511%0.107CC..EExtended strand (participates in β ladder)trans-101.7120.4178.8-177.5157.5000110.2V106 L142 A148 S149 F151 V161 F170 D172L104-V106 HydrophobicContact CD2-CG2 4.11Å; L104-L142 HydrophobicContact CD2-CD1 3.85Å; L104-A148 CarbonylContact O-C 3.47Å; L104-A148 VanDerWaalsContact O-CA 3.22Å; L104-A148 WeakPolarHBondContact O-CA 3.4Å; L104-S149 PolarHBondContact N-O 2.83Å; L104-S149 PolarHBondContact O-N 2.95Å; L104-F151 HydrophobicContact CB-CE2 3.74Å; L104-F151 HydrophobicContact CD1-CE2 4.46Å; L104-V161 HydrophobicContact CD1-CG1 4.38Å; L104-V161 HydrophobicContact CD1-CG2 3.74Å; L104-F170 HydrophobicContact CD1-CD2 3.71Å; L104-F170 HydrophobicContact CD1-CE2 3.71Å; L104-F170 HydrophobicContact CD1-CG 4.19Å; L104-F170 HydrophobicContact CD1-CZ 4.23Å; L104-F170 HydrophobicContact CD2-CB 4.11Å; L104-F170 HydrophobicContact CD2-CD2 4.4Å; L104-F170 HydrophobicContact CD2-CG 4.31Å; L104-F170 HydrophobicContact CG-CB 4.2Å; L104-F170 HydrophobicContact CG-CD2 3.65Å; L104-F170 HydrophobicContact CG-CE2 4.16Å; L104-F170 HydrophobicContact CG-CG 4.05Å; L104-D172 VanDerWaalsContact CA-OD1 3.3Å; L104-D172 WeakPolarHBondContact CA-OD1 3.39Å; L104-D172 VanDerWaalsContact CB-OD1 3.32Å; L104-D172 WeakPolarHBondContact CB-OD1 3.32Å; L104-D172 WeakPolarHBondContact CG-OD1 3.22Å
105K98.8Very high97.8Very high4 Ų418 Ų182%0.01711%0.107CC..EExtended strand (participates in β ladder)trans-119.5113174.5176.964.6-176.5113.70110.7V32 S33 V35 I107 S144 D146 A148 F170 F171V32-K105 HydrophobicContact CG1-CB 3.92Å; V32-K105 WeakPolarHBondContact O-CG 3.38Å; S33-K105 WeakPolarHBondContact O-CE 3.34Å; V35-K105 HydrophobicContact CB-CG 4.37Å; V35-K105 WeakPolarHBondContact O-CE 3.19Å; K105-I107 HydrophobicContact CG-CG2 4.32Å; K105-I107 PolarHBondContact O-N 3.23Å; K105-S144 PolarHBondContact NZ-O 3.25Å; K105-D146 WeakPolarHBondContact CE-O 3.4Å; K105-D146 PolarHBondContact NZ-O 2.89Å; K105-A148 HydrophobicContact CB-CB 4.13Å; K105-A148 HydrophobicContact CD-CB 4.46Å; K105-F170 CarbonylContact O-C 3.6Å; K105-F170 VanDerWaalsContact O-CA 3.22Å; K105-F170 WeakPolarHBondContact O-CA 3.23Å; K105-F170 WeakPolarHBondContact O-CB 3.3Å; K105-F171 PolarHBondContact N-O 2.73Å; K105-F171 PolarHBondContact O-N 2.92Å
106V98.7Very high97.8Very high4 Ų417.7 Ų17.72%0.02411%0.106CC..EExtended strand (participates in β ladder)trans-62.5126.6168.5-178.20000109L104 D108 G109 C111 L142 S144 T168 F170L104-V106 HydrophobicContact CD2-CG2 4.11Å; V106-D108 WeakPolarHBondContact CG1-O 3.29Å; V106-G109 WeakPolarHBondContact CG1-O 3.42Å; V106-C111 VanDerWaalsContact CG2-SG 3.56Å; V106-L142 HydrophobicContact CG2-CB 3.77Å; V106-S144 WeakPolarHBondContact O-CA 3.25Å; V106-T168 HydrophobicContact CG1-CG2 4.04Å; V106-F170 HydrophobicContact CG2-CB 4.38Å
107I98.4Very high97.8Very high11 Ų1118.1 Ų18.16%0.05611%0.109CC..EExtended strand (participates in β ladder)trans-110.3-24.417959.3172.2000112.1V35 A37 L40 Y42 I83 K105 A169 F171V35-I107 HydrophobicContact CG1-CG2 4.07Å; A37-I107 HydrophobicContact CB-CB 4.34Å; L40-I107 HydrophobicContact CD1-CD1 3.72Å; L40-I107 HydrophobicContact CD1-CG2 4.13Å; Y42-I107 HydrophobicContact CD1-CD1 4.1Å; Y42-I107 HydrophobicContact CG-CD1 4.42Å; I83-I107 HydrophobicContact CD1-CD1 4.48Å; I83-I107 HydrophobicContact CG1-CD1 4.48Å; I83-I107 HydrophobicContact CG2-CD1 3.88Å; K105-I107 HydrophobicContact CG-CG2 4.32Å; K105-I107 PolarHBondContact O-N 3.23Å; I107-A169 HydrophobicContact CD1-CB 4.2Å; I107-A169 HydrophobicContact CG1-CB 3.87Å; I107-A169 VanDerWaalsContact CG1-O 3.3Å; I107-A169 WeakPolarHBondContact CG1-O 3.34Å; I107-A169 PolarHBondContact N-O 3.31Å; I107-F171 HydrophobicContact CG2-CB 3.98Å
108D97.4Very high97.7Very high59 Ų5920.1 Ų20.132%0.31612%0.124SC..EExtended strand (participates in β ladder)trans-148.9147.9169.9-177.839000110.5A44 V106 R166 T168 A169A44-D108 HydrophobicContact CB-CB 4.45Å; V106-D108 WeakPolarHBondContact CG1-O 3.29Å; D108-R166 IonicContact OD1-NH2 3.92Å; D108-T168 WeakPolarHBondContact O-CA 3.31Å; D108-T168 WeakPolarHBondContact O-CG2 3.35Å; D108-A169 HydrophobicContact CB-CB 4.27Å; D108-A169 PolarHBondContact N-O 3.4Å; D108-A169 VanDerWaalsContact N-O 3.1Å; D108-A169 PolarHBondContact O-N 2.9Å; D108-A169 VanDerWaalsContact O-O 3.11Å
109G96.8Very high97.4Very high5 Ų520.5 Ų20.55%0.05213%0.125CC..SBendtrans71.6-146.6-179.300000115V106V106-G109 WeakPolarHBondContact CG1-O 3.42Å
110S97.6Very high96.7Very high27 Ų2727.5 Ų27.519%0.18915%0.146CC..EExtended strand (participates in β ladder)trans-159.5132.8-176.658.10000112.4L142 T168S110-L142 CarbonylContact C-O 3.55Å; S110-L142 WeakPolarHBondContact CA-O 3.49Å; S110-L142 VanDerWaalsContact CB-O 3.29Å; S110-L142 WeakPolarHBondContact CB-O 3.45Å; S110-T168 PolarHBondContact N-OG1 3.18Å; S110-T168 PolarHBondContact O-OG1 3.43Å
111C98.2Very high95.1Very high0 Ų032.6 Ų32.60%017%0.168CC..EExtended strand (participates in β ladder)trans-119.6154.3177.457.30000112.5V106 L142 V161 S162 T168V106-C111 VanDerWaalsContact CG2-SG 3.56Å; C111-L142 PolarHBondContact N-O 3.5Å; C111-L142 PolarHBondContact O-N 2.99Å; C111-V161 HydrophobicContact CB-CG1 3.64Å; C111-S162 CarbonylContact C-O 3.5Å; C111-S162 WeakPolarHBondContact CA-O 3.47Å; C111-S162 WeakPolarHBondContact CB-O 3.48Å; C111-T168 HydrophobicContact CB-CG2 3.92Å
112L98.6Very high93Very high50 Ų5034.5 Ų34.526%0.26219%0.193SC..EExtended strand (participates in β ladder)trans-92.6126.3165.2-176.669000108.6P139 S162 P164L112-P139 HydrophobicContact CD1-CB 3.76Å; L112-P139 HydrophobicContact CG-CB 4.35Å; L112-S162 PolarHBondContact N-O 3.48Å; L112-S162 PolarHBondContact O-N 2.9Å; L112-P164 HydrophobicContact CB-CG 4.33Å
113V98.7Very high90.7Very high0 Ų044.7 Ų44.70%024%0.236CC..EExtended strand (participates in β ladder)trans-110.1115.4175.4178.30000109.5P139 V140 L142 F151 R160 V161V113-P139 WeakPolarHBondContact O-CA 3.49Å; V113-V140 PolarHBondContact N-O 3.14Å; V113-V140 PolarHBondContact O-N 3.07Å; V113-L142 HydrophobicContact CB-CD1 4.45Å; V113-L142 HydrophobicContact CG2-CD1 3.63Å; V113-L142 HydrophobicContact CG2-CG 4.35Å; V113-F151 HydrophobicContact CG1-CE1 4.11Å; V113-F151 HydrophobicContact CG1-CZ 3.89Å; V113-R160 WeakPolarHBondContact CA-O 3.45Å; V113-V161 HydrophobicContact CG2-CG1 4.4Å; V113-V161 HydrophobicContact CG2-CG2 4.39Å
114E98.3Very high88.4Confident56 Ų5652 Ų5226%0.26228%0.275SS..EExtended strand (participates in β ladder)trans-100.1135.2168.6-61.8176.496.500108.2F116 P139 H159 R160E114-F116 HydrophobicContact CB-CE2 4.21Å; E114-F116 HydrophobicContact CB-CZ 4.23Å; E114-P139 HydrophobicContact CG-CB 4.13Å; E114-P139 HydrophobicContact CG-CG 4.19Å; E114-H159 CarbonylContact O-C 3.54Å; E114-H159 WeakPolarHBondContact O-CA 3.43Å; E114-H159 WeakPolarHBondContact O-CB 3.48Å; E114-R160 HydrophobicContact CB-CB 4.44Å; E114-R160 PolarHBondContact N-O 3.46Å; E114-R160 VanDerWaalsContact N-O 3.08Å; E114-R160 PolarHBondContact O-N 3.29Å; E114-R160 WeakPolarHBondContact OE2-CD 3.21Å
115S98.2Very high86.1Confident0 Ų056.9 Ų56.90%030%0.301CS..EExtended strand (participates in β ladder)trans-143.7152.3-174.257.70000112.6H137 R156 Y158S115-H137 WeakPolarHBondContact O-CB 3.15Å; S115-H137 PolarHBondContact O-CD2 3.13Å; S115-H137 VanDerWaalsContact O-CD2 3.24Å; S115-H137 PolarHBondContact O-N 3.08Å; S115-R156 PolarHBondContact OG-NE 2.87Å; S115-R156 PolarHBondContact OG-NH2 3.11Å; S115-Y158 CarbonylContact C-O 3.51Å; S115-Y158 WeakPolarHBondContact CA-O 3.19Å
116F97.7Very high83.9Confident5 Ų562.6 Ų62.62%0.02234%0.342CS..EExtended strand (participates in β ladder)trans-139.7143.1-169.5-44.4-95.3000110L94 E114 V134 R135 I136 R156 Y158 L190L94-F116 HydrophobicContact CD1-CD2 3.55Å; L94-F116 HydrophobicContact CD1-CE2 3.57Å; L94-F116 HydrophobicContact CD2-CD2 4.29Å; L94-F116 HydrophobicContact CD2-CE2 4Å; L94-F116 HydrophobicContact CG-CE2 4.42Å; E114-F116 HydrophobicContact CB-CE2 4.21Å; E114-F116 HydrophobicContact CB-CZ 4.23Å; F116-V134 HydrophobicContact CB-CB 3.9Å; F116-V134 HydrophobicContact CB-CG1 4.2Å; F116-V134 HydrophobicContact CB-CG2 3.93Å; F116-V134 HydrophobicContact CD1-CG2 4.03Å; F116-V134 HydrophobicContact CG-CG2 4.31Å; F116-R135 VanDerWaalsContact CA-O 3.28Å; F116-R135 WeakPolarHBondContact CA-O 3.37Å; F116-I136 HydrophobicContact CD1-CB 4.18Å; F116-I136 HydrophobicContact CD1-CG1 3.85Å; F116-I136 HydrophobicContact CD1-CG2 4.2Å; F116-I136 HydrophobicContact CE1-CB 4.25Å; F116-I136 HydrophobicContact CE1-CG1 3.92Å; F116-I136 HydrophobicContact CE1-CG2 3.84Å; F116-R156 CarbonylContact O-C 3.54Å; F116-R156 VanDerWaalsContact O-CA 3.31Å; F116-R156 WeakPolarHBondContact O-CA 3.47Å; F116-Y158 PolarHBondContact N-O 3.14Å; F116-Y158 PolarHBondContact O-N 3.39Å; F116-L190 HydrophobicContact CD1-CD1 4.28Å; F116-L190 HydrophobicContact CE1-CD1 3.95Å; F116-L190 HydrophobicContact CE1-CD2 3.61Å; F116-L190 HydrophobicContact CE1-CG 4.36Å; F116-L190 HydrophobicContact CZ-CD2 3.87Å
117T96.7Very high81.7Confident19 Ų1963.3 Ų63.312%0.11735%0.346CS..EExtended strand (participates in β ladder)trans-116.5124.8175.7-77.90000108.7V119 V134 R135 H137 T154 R156T117-V119 PolarHBondContact O-N 3.2Å; T117-V134 CarbonylContact O-C 3.48Å; T117-V134 WeakPolarHBondContact O-CA 3.37Å; T117-R135 PolarHBondContact N-O 3.49Å; T117-R135 PolarHBondContact O-N 2.78Å; T117-H137 PolarHBondContact OG1-NE2 2.83Å; T117-T154 WeakPolarHBondContact CG2-O 3.08Å; T117-R156 PolarHBondContact OG1-N 2.93Å
118S94.6Very high79.8Confident50 Ų5065 Ų6535%0.3536%0.359SS..EExtended strand (participates in β ladder)trans-56.5134.3171.253.60000110.5Q133S118-Q133 WeakPolarHBondContact CA-O 3.3Å
119V90.8Very high78.2Confident40 Ų4071 Ų7124%0.24239%0.385CS..PPolyproline II helixtrans-98.8141.8168.9-62.50000109.1T117 K121 Q133 R135 F206T117-V119 PolarHBondContact O-N 3.2Å; V119-K121 PolarHBondContact O-N 2.7Å; V119-Q133 HydrophobicContact CG2-CB 3.7Å; V119-Q133 HydrophobicContact CG2-CG 3.49Å; V119-Q133 VanDerWaalsContact CG2-CG 3.49Å; V119-Q133 PolarHBondContact N-O 3.24Å; V119-R135 HydrophobicContact CG1-CB 4.12Å; V119-F206 HydrophobicContact CG1-CD1 4.21Å; V119-F206 HydrophobicContact CG1-CE1 3.68Å; V119-F206 HydrophobicContact CG2-CD1 4.49Å; V119-F206 HydrophobicContact CG2-CE1 4.45Å
120E79Confident77.5Confident191 Ų19176.3 Ų76.389%0.89341%0.412SS*.PPolyproline II helixtrans-59.4133.1176.2-66.6-176.8174.600109.2A122E120-A122 PolarHBondContact O-N 2.87Å; E120-A122 VanDerWaalsContact O-N 3.15Å
121K64.7Low77.1Confident109 Ų10975.3 Ų75.347%0.47441%0.406SS..PPolyproline II helixtrans-63.5117.1174.9-67.8-173.1178.3-172.60107.9V119 F123V119-K121 PolarHBondContact O-N 2.7Å; K121-F123 PolarHBondContact O-N 3.17Å
122A54.2Low76.8Confident85 Ų8576.9 Ų76.970%0.70242%0.415SS*.PPolyproline II helixtrans-57.5131.8159.700000107E120 D124E120-A122 PolarHBondContact O-N 2.87Å; E120-A122 VanDerWaalsContact O-N 3.15Å; A122-D124 PolarHBondContact O-N 3.07Å
123F48.8Very low76.5Confident221 Ų22177.4 Ų77.497%0.96942%0.416SS*.THydrogen-bonded Turntrans-58.415.6-154.2-88.3-91.8000119.5K121K121-F123 PolarHBondContact O-N 3.17Å
124D50.9Low76.3Confident155 Ų15577.4 Ų77.483%0.82942%0.416SS*.THydrogen-bonded Turntrans-144.413.8-169.2-145.19.1000117.3A122 S126A122-D124 PolarHBondContact O-N 3.07Å; D124-S126 PolarHBondContact O-N 3.15Å
125D51.6Low76.1Confident103 Ų10379.1 Ų79.155%0.55142%0.421SS*.  trans-93.198.4179-136.8-9.2000112.7T127D125-T127 HydrophobicContact CB-CG2 4.37Å; D125-T127 WeakPolarHBondContact CB-OG1 3.37Å; D125-T127 PolarHBondContact O-N 2.79Å; D125-T127 PolarHBondContact O-OG1 2.81Å; D125-T127 VanDerWaalsContact OD1-CG2 3.22Å; D125-T127 WeakPolarHBondContact OD1-CG2 3.49Å; D125-T127 WeakPolarHBondContact OD2-CG2 3.17Å
126S51.1Low76Confident125 Ų12581.1 Ų81.187%0.87443%0.431SS*.  trans-58.84.2166.2650000114.2D124 S128D124-S126 PolarHBondContact O-N 3.15Å; S126-S128 PolarHBondContact O-N 2.95Å; S126-S128 VanDerWaalsContact O-N 3.15Å
127T54Low75.9Confident18 Ų1882.3 Ų82.311%0.1144%0.436CS..SBendtrans-54.5116.1170.448.30000110.7D125D125-T127 HydrophobicContact CB-CG2 4.37Å; D125-T127 WeakPolarHBondContact CB-OG1 3.37Å; D125-T127 PolarHBondContact O-N 2.79Å; D125-T127 PolarHBondContact O-OG1 2.81Å; D125-T127 VanDerWaalsContact OD1-CG2 3.22Å; D125-T127 WeakPolarHBondContact OD1-CG2 3.49Å; D125-T127 WeakPolarHBondContact OD2-CG2 3.17Å
128S57.1Low75.8Confident46 Ų4689.5 Ų89.532%0.32247%0.468SS..  trans19.6108.1168.5590000114.9S126 D130 A131S126-S128 PolarHBondContact O-N 2.95Å; S126-S128 VanDerWaalsContact O-N 3.15Å; S128-D130 PolarHBondContact O-N 2.79Å; S128-A131 PolarHBondContact O-N 3.01Å; S128-A131 WeakPolarHBondContact OG-CB 3.36Å
129Q64.9Low75.9Confident187 Ų18790.1 Ų90.187%0.87447%0.472SS*.THydrogen-bonded Turntrans-46.7-24.9-178.1-74.1179.5-17.400114.3
130D81.7Confident76.3Confident115 Ų11590.7 Ų90.762%0.61548%0.475SS*.THydrogen-bonded Turntrans-95-8.6-175.4-52.8-38.1000115.5S128 P211S128-D130 PolarHBondContact O-N 2.79Å; D130-P211 HydrophobicContact CB-CG 4.17Å; D130-P211 WeakPolarHBondContact O-CD 3.4Å
131A88.8Confident77.2Confident6 Ų687.2 Ų87.25%0.0546%0.462CS..  trans-83.6136.2-179.100000112.3S128 P195 L209 L210S128-A131 PolarHBondContact O-N 3.01Å; S128-A131 WeakPolarHBondContact OG-CB 3.36Å; A131-P195 HydrophobicContact CB-CG 4.24Å; A131-L209 WeakPolarHBondContact CA-O 3.32Å; A131-L210 HydrophobicContact CB-CD2 3.76Å
132V91.7Very high78.8Confident34 Ų3482.5 Ų82.521%0.20644%0.442CS..EExtended strand (participates in β ladder)trans-108116.4172-174.40000108.9V134 Y158 F208 L209V132-V134 HydrophobicContact CG1-CG1 4.04Å; V132-Y158 HydrophobicContact CG1-CE2 4.44Å; V132-F208 CarbonylContact O-C 3.48Å; V132-F208 WeakPolarHBondContact O-CA 3.4Å; V132-L209 HydrophobicContact CB-CB 4.28Å; V132-L209 PolarHBondContact N-O 2.71Å; V132-L209 PolarHBondContact O-N 2.9Å
133Q92.5Very high80.9Confident61 Ų6180.4 Ų80.429%0.28542%0.421SS..EExtended strand (participates in β ladder)trans-73.9134.9171.2-167.1-1775.900109.2S118 V119 F208S118-Q133 WeakPolarHBondContact CA-O 3.3Å; V119-Q133 HydrophobicContact CG2-CB 3.7Å; V119-Q133 HydrophobicContact CG2-CG 3.49Å; V119-Q133 VanDerWaalsContact CG2-CG 3.49Å; V119-Q133 PolarHBondContact N-O 3.24Å; Q133-F208 HydrophobicContact CB-CD1 4.1Å; Q133-F208 HydrophobicContact CB-CE1 3.99Å; Q133-F208 HydrophobicContact CG-CD1 4.26Å; Q133-F208 HydrophobicContact CG-CE1 3.88Å; Q133-F208 HydrophobicContact CG-CZ 4.27Å
134V94.5Very high83.2Confident0 Ų073 Ų730%040%0.397CS..EExtended strand (participates in β ladder)trans-135.2148.4-176.7-64.80000111.9F116 T117 V132 Y158 L190 F206 G207 L209F116-V134 HydrophobicContact CB-CB 3.9Å; F116-V134 HydrophobicContact CB-CG1 4.2Å; F116-V134 HydrophobicContact CB-CG2 3.93Å; F116-V134 HydrophobicContact CD1-CG2 4.03Å; F116-V134 HydrophobicContact CG-CG2 4.31Å; T117-V134 CarbonylContact O-C 3.48Å; T117-V134 WeakPolarHBondContact O-CA 3.37Å; V132-V134 HydrophobicContact CG1-CG1 4.04Å; V134-Y158 HydrophobicContact CG1-CD2 4.43Å; V134-L190 HydrophobicContact CG2-CD1 4.4Å; V134-F206 CarbonylContact O-C 3.57Å; V134-F206 VanDerWaalsContact O-CA 3.29Å; V134-F206 WeakPolarHBondContact O-CA 3.43Å; V134-G207 WeakPolarHBondContact CG2-O 3.4Å; V134-G207 PolarHBondContact N-O 3.07Å; V134-G207 PolarHBondContact O-N 3.35Å; V134-L209 HydrophobicContact CB-CG 4.47Å; V134-L209 HydrophobicContact CG1-CD1 3.68Å; V134-L209 HydrophobicContact CG1-CG 3.73Å; V134-L209 HydrophobicContact CG2-CD1 4.41Å; V134-L209 HydrophobicContact CG2-CD2 3.95Å; V134-L209 HydrophobicContact CG2-CG 3.85Å
135R94.7Very high85.4Confident92 Ų9270.6 Ų70.635%0.34739%0.392SS..EExtended strand (participates in β ladder)trans-81.9127158.8-174.7178.461.377.6-11.6109.4F116 T117 V119 H137 S205 F206F116-R135 VanDerWaalsContact CA-O 3.28Å; F116-R135 WeakPolarHBondContact CA-O 3.37Å; T117-R135 PolarHBondContact N-O 3.49Å; T117-R135 PolarHBondContact O-N 2.78Å; V119-R135 HydrophobicContact CG1-CB 4.12Å; R135-H137 PolarHBondContact NH1-CE1 3.4Å; R135-H137 VanDerWaalsContact NH1-CE1 3.25Å; R135-H137 VanDerWaalsContact NH1-CG 3.27Å; R135-H137 PolarHBondContact NH1-ND1 3.19Å; R135-H137 PolarHBondContact NH1-NE2 2.85Å; R135-H137 PolarHBondContact NH2-CE1 3.32Å; R135-H137 PolarHBondContact NH2-ND1 2.92Å; R135-H137 PolarHBondContact NH2-NE2 3.18Å; R135-S205 CarbonylContact C-O 3.49Å; R135-S205 VanDerWaalsContact CA-O 3.29Å; R135-S205 WeakPolarHBondContact CA-O 3.21Å; R135-S205 WeakPolarHBondContact CG-O 3.44Å; R135-F206 HydrophobicContact CB-CD1 4.31Å; R135-F206 HydrophobicContact CB-CE1 4.17Å
136I95.7Very high87.7Confident41 Ų4168.2 Ų68.221%0.2138%0.38CS..EExtended strand (participates in β ladder)trans-80.1127.6172.7-53175.4000108.3F116 L190 T192 S205 F206F116-I136 HydrophobicContact CD1-CB 4.18Å; F116-I136 HydrophobicContact CD1-CG1 3.85Å; F116-I136 HydrophobicContact CD1-CG2 4.2Å; F116-I136 HydrophobicContact CE1-CB 4.25Å; F116-I136 HydrophobicContact CE1-CG1 3.92Å; F116-I136 HydrophobicContact CE1-CG2 3.84Å; I136-L190 HydrophobicContact CD1-CD1 4.48Å; I136-L190 HydrophobicContact CD1-CD2 4.47Å; I136-T192 HydrophobicContact CD1-CG2 4.47Å; I136-S205 PolarHBondContact N-O 2.97Å; I136-F206 WeakPolarHBondContact CD1-O 3.39Å
137H95.8Very high89.9Confident31 Ų3166.4 Ų66.414%0.14437%0.365CS..PPolyproline II helixtrans-92.9158.1170.9-61.2-115.6000109.9S115 T117 R135 R156S115-H137 WeakPolarHBondContact O-CB 3.15Å; S115-H137 PolarHBondContact O-CD2 3.13Å; S115-H137 VanDerWaalsContact O-CD2 3.24Å; S115-H137 PolarHBondContact O-N 3.08Å; T117-H137 PolarHBondContact OG1-NE2 2.83Å; R135-H137 PolarHBondContact NH1-CE1 3.4Å; R135-H137 VanDerWaalsContact NH1-CE1 3.25Å; R135-H137 VanDerWaalsContact NH1-CG 3.27Å; R135-H137 PolarHBondContact NH1-ND1 3.19Å; R135-H137 PolarHBondContact NH1-NE2 2.85Å; R135-H137 PolarHBondContact NH2-CE1 3.32Å; R135-H137 PolarHBondContact NH2-ND1 2.92Å; R135-H137 PolarHBondContact NH2-NE2 3.18Å; H137-R156 WeakPolarHBondContact CE1-CG 3.32Å
138E95.3Very high92.1Very high169 Ų16965.6 Ų65.679%0.7936%0.36SS*.PPolyproline II helixtrans-58.5132.2170.8-172174.7-172.500110.1
139P97Very high94Very high64 Ų6464.1 Ų64.142%0.41635%0.35SS..PPolyproline II helixtrans-59.7138.8173.8-24.334.6000111.8L112 V113 E114L112-P139 HydrophobicContact CD1-CB 3.76Å; L112-P139 HydrophobicContact CG-CB 4.35Å; V113-P139 WeakPolarHBondContact O-CA 3.49Å; E114-P139 HydrophobicContact CG-CB 4.13Å; E114-P139 HydrophobicContact CG-CG 4.19Å
140V97.9Very high95.6Very high52 Ų5257.3 Ų57.332%0.31532%0.319SS..EExtended strand (participates in β ladder)trans-115.6124.5-178.8-175.40000109.6V113 L142V113-V140 PolarHBondContact N-O 3.14Å; V113-V140 PolarHBondContact O-N 3.07Å; V140-L142 HydrophobicContact CG1-CD2 3.65Å; V140-L142 HydrophobicContact CG1-CG 4.12Å
141L98.3Very high96.4Very high117 Ų11752.1 Ų52.161%0.61329%0.291SS*.EExtended strand (participates in β ladder)trans-84123.1168.6-173.170.5000108.8
142L98.4Very high96.9Very high11 Ų1153 Ų536%0.05830%0.296CS..EExtended strand (participates in β ladder)trans-116.2143.9179.7-61.2175.3000110.6L104 V106 S110 C111 V113 V140 D146 S149L104-L142 HydrophobicContact CD2-CD1 3.85Å; V106-L142 HydrophobicContact CG2-CB 3.77Å; S110-L142 CarbonylContact C-O 3.55Å; S110-L142 WeakPolarHBondContact CA-O 3.49Å; S110-L142 VanDerWaalsContact CB-O 3.29Å; S110-L142 WeakPolarHBondContact CB-O 3.45Å; C111-L142 PolarHBondContact N-O 3.5Å; C111-L142 PolarHBondContact O-N 2.99Å; V113-L142 HydrophobicContact CB-CD1 4.45Å; V113-L142 HydrophobicContact CG2-CD1 3.63Å; V113-L142 HydrophobicContact CG2-CG 4.35Å; V140-L142 HydrophobicContact CG1-CD2 3.65Å; V140-L142 HydrophobicContact CG1-CG 4.12Å; L142-D146 HydrophobicContact CD2-CB 4.29Å; L142-S149 VanDerWaalsContact CD1-OG 3.3Å; L142-S149 WeakPolarHBondContact CD1-OG 3.35Å
143C97.9Very high97.1Very high40 Ų4053.4 Ų53.427%0.2730%0.299SS..EExtended strand (participates in β ladder)trans-136.6177.8172.3720000111.5S145 D146C143-S145 PolarHBondContact O-N 3.15Å; C143-S145 VanDerWaalsContact O-N 3.14Å; C143-S145 PolarHBondContact SG-OG 3.12Å; C143-D146 PolarHBondContact N-OD2 3.1Å; C143-D146 WeakPolarHBondContact O-CB 3.31Å; C143-D146 PolarHBondContact O-N 3.21Å; C143-D146 PolarHBondContact SG-OD2 3.05Å
144S97.3Very high97.2Very high66 Ų6655 Ų5546%0.46231%0.313SS..THydrogen-bonded Turntrans-65.8-15.9-174.162.80000115.1K105 V106K105-S144 PolarHBondContact NZ-O 3.25Å; V106-S144 WeakPolarHBondContact O-CA 3.25Å
145S97.9Very high97.4Very high104 Ų10459.1 Ų59.173%0.72733%0.334SS*.THydrogen-bonded Turntrans-84.9-14.5172.154.50000114.2C143C143-S145 PolarHBondContact O-N 3.15Å; C143-S145 VanDerWaalsContact O-N 3.14Å; C143-S145 PolarHBondContact SG-OG 3.12Å
146D98.6Very high97.5Very high54 Ų5456.8 Ų56.829%0.28933%0.325SS..SBendtrans-79150.1-178.2-62.9-49.7000111.7K105 L142 C143K105-D146 WeakPolarHBondContact CE-O 3.4Å; K105-D146 PolarHBondContact NZ-O 2.89Å; L142-D146 HydrophobicContact CD2-CB 4.29Å; C143-D146 PolarHBondContact N-OD2 3.1Å; C143-D146 WeakPolarHBondContact O-CB 3.31Å; C143-D146 PolarHBondContact O-N 3.21Å; C143-D146 PolarHBondContact SG-OD2 3.05Å
147P98.5Very high97.6Very high86 Ų8655.2 Ų55.256%0.55832%0.318SS*.PPolyproline II helixtrans-64.4163.1172.729.5-35.7000111.4S149P147-S149 PolarHBondContact O-N 2.8Å
148A98.7Very high97.7Very high2 Ų255.2 Ų55.22%0.01732%0.317CS..PPolyproline II helixtrans-63.5134.3176.700000111Q29 V32 S33 L103 L104 K105Q29-A148 HydrophobicContact CG-CB 4.47Å; Q29-A148 PolarHBondContact NE2-O 2.94Å; V32-A148 HydrophobicContact CB-CB 4.18Å; V32-A148 HydrophobicContact CG1-CB 3.78Å; S33-A148 PolarHBondContact OG-N 2.83Å; L103-A148 HydrophobicContact CD2-CB 4.37Å; L104-A148 CarbonylContact O-C 3.47Å; L104-A148 VanDerWaalsContact O-CA 3.22Å; L104-A148 WeakPolarHBondContact O-CA 3.4Å; K105-A148 HydrophobicContact CB-CB 4.13Å; K105-A148 HydrophobicContact CD-CB 4.46Å
149S98.5Very high97.9Very high14 Ų1447.5 Ų47.510%0.09828%0.28CS..EExtended strand (participates in β ladder)trans-79.3129.3173.1-79.80000110.6L103 L104 L142 P147L103-S149 WeakPolarHBondContact CA-O 3.41Å; L104-S149 PolarHBondContact N-O 2.83Å; L104-S149 PolarHBondContact O-N 2.95Å; L142-S149 VanDerWaalsContact CD1-OG 3.3Å; L142-S149 WeakPolarHBondContact CD1-OG 3.35Å; P147-S149 PolarHBondContact O-N 2.8Å
150L98.6Very high97.9Very high44 Ų4447.2 Ų47.223%0.2327%0.271CS..EExtended strand (participates in β ladder)trans-95.6129.3177.6176.966.1000111.2I25 Y101 L103 T152I25-L150 HydrophobicContact CG2-CD1 3.81Å; I25-L150 HydrophobicContact CG2-CD2 3.71Å; I25-L150 HydrophobicContact CG2-CG 4.45Å; Y101-L150 HydrophobicContact CD1-CD1 4.32Å; L103-L150 HydrophobicContact CD2-CB 3.97Å; L103-L150 HydrophobicContact CD2-CD1 3.71Å; L103-L150 HydrophobicContact CD2-CG 4.44Å; L103-L150 HydrophobicContact CG-CD1 4.12Å; L150-T152 HydrophobicContact CD2-CG2 4.25Å; L150-T152 HydrophobicContact CG-CG2 4.11Å
151F98.4Very high98Very high7 Ų744.8 Ų44.83%0.03126%0.257CS..EExtended strand (participates in β ladder)trans-116.1135.6169-51.4-83.3000108.1Y101 G102 L104 V113 R156 H159Y101-F151 WeakPolarHBondContact CA-O 3.17Å; G102-F151 PolarHBondContact N-O 2.94Å; G102-F151 PolarHBondContact O-N 3.43Å; L104-F151 HydrophobicContact CB-CE2 3.74Å; L104-F151 HydrophobicContact CD1-CE2 4.46Å; V113-F151 HydrophobicContact CG1-CE1 4.11Å; V113-F151 HydrophobicContact CG1-CZ 3.89Å; F151-R156 HydrophobicContact CD1-CB 3.69Å; F151-R156 VanDerWaalsContact CD1-O 3.23Å; F151-R156 WeakPolarHBondContact CD1-O 3.5Å; F151-R156 HydrophobicContact CE1-CB 4.26Å; F151-H159 HydrophobicContact CD1-CB 4.49Å; F151-H159 HydrophobicContact CE1-CB 4.02Å; F151-H159 AromaticContact CE1-CG 3.98Å
152T98Very high97.9Very high23 Ų2339.9 Ų39.914%0.14123%0.232CC..  trans-117.3170.2179.980.70000109.9M100 Y101 L150 T154 I155 N157M100-T152 CarbonylContact O-C 3.48Å; Y101-T152 HydrophobicContact CD1-CG2 4.16Å; Y101-T152 HydrophobicContact CE1-CG2 4Å; L150-T152 HydrophobicContact CD2-CG2 4.25Å; L150-T152 HydrophobicContact CG-CG2 4.11Å; T152-T154 PolarHBondContact O-N 3.45Å; T152-T154 PolarHBondContact OG1-N 2.94Å; T152-I155 PolarHBondContact N-O 3.42Å; T152-I155 WeakPolarHBondContact OG1-CB 3.42Å; T152-I155 PolarHBondContact OG1-N 2.79Å; T152-N157 WeakPolarHBondContact O-CB 3.33Å; T152-N157 PolarHBondContact O-ND2 3.33Å
153P96.3Very high97.8Very high44 Ų4439.4 Ų39.429%0.28623%0.229SC..SBendtrans-55.8-24.3174.2-30.137.5000114.6M100 Y101M100-P153 WeakPolarHBondContact O-CD 3.46Å; Y101-P153 HydrophobicContact CD2-CG 4.1Å; Y101-P153 HydrophobicContact CE2-CG 3.85Å
154T95.7Very high97.7Very high95 Ų9540.3 Ų40.358%0.58324%0.235SC*.SBendtrans-120.8-12.7-173.456.10000113.9T117 T152T117-T154 WeakPolarHBondContact CG2-O 3.08Å; T152-T154 PolarHBondContact O-N 3.45Å; T152-T154 PolarHBondContact OG1-N 2.94Å
155I97.3Very high97.4Very high86 Ų8644.2 Ų44.244%0.44125%0.251SS..SBendtrans-127.1123.1-176.3-59.2175.9000109.2T152 N157T152-I155 PolarHBondContact N-O 3.42Å; T152-I155 WeakPolarHBondContact OG1-CB 3.42Å; T152-I155 PolarHBondContact OG1-N 2.79Å; I155-N157 PolarHBondContact O-N 3.13Å; I155-N157 VanDerWaalsContact O-N 3.07Å
156R98Very high97.1Very high42 Ų4245.2 Ų45.216%0.15824%0.238CC..SBendtrans59.413.4178.4-60.2173.577-1674.2114.3S115 F116 T117 H137 F151 Y158S115-R156 PolarHBondContact OG-NE 2.87Å; S115-R156 PolarHBondContact OG-NH2 3.11Å; F116-R156 CarbonylContact O-C 3.54Å; F116-R156 VanDerWaalsContact O-CA 3.31Å; F116-R156 WeakPolarHBondContact O-CA 3.47Å; T117-R156 PolarHBondContact OG1-N 2.93Å; H137-R156 WeakPolarHBondContact CE1-CG 3.32Å; F151-R156 HydrophobicContact CD1-CB 3.69Å; F151-R156 VanDerWaalsContact CD1-O 3.23Å; F151-R156 WeakPolarHBondContact CD1-O 3.5Å; F151-R156 HydrophobicContact CE1-CB 4.26Å; R156-Y158 CarbonylContact O-C 3.48Å; R156-Y158 PolarHBondContact O-N 3.48Å
157N97.6Very high96.9Very high9 Ų944.8 Ų44.85%0.04824%0.239CC..  trans-54.8-38.7-177.1-166.6-96.8000112.6H97 T152 I155 H159H97-N157 PolarHBondContact N-OD1 2.82Å; H97-N157 PolarHBondContact O-ND2 3.07Å; H97-N157 PolarHBondContact O-OD1 2.83Å; T152-N157 WeakPolarHBondContact O-CB 3.33Å; T152-N157 PolarHBondContact O-ND2 3.33Å; I155-N157 PolarHBondContact O-N 3.13Å; I155-N157 VanDerWaalsContact O-N 3.07Å; N157-H159 PolarHBondContact O-ND1 3.32Å
158Y98.3Very high96.9Very high31 Ų3140.7 Ų40.712%0.12221%0.212CC..EExtended strand (participates in β ladder)trans-81.4122.7171.2-58.1-88.3000109.2H95 D96 S115 F116 V132 V134 R156 F188 L209H95-Y158 CarbonylContact O-C 3.5Å; H95-Y158 VanDerWaalsContact O-CA 3.25Å; H95-Y158 WeakPolarHBondContact O-CA 3.44Å; D96-Y158 HydrophobicContact CB-CD1 3.6Å; D96-Y158 HydrophobicContact CB-CE1 3.65Å; D96-Y158 HydrophobicContact CB-CG 4.34Å; S115-Y158 CarbonylContact C-O 3.51Å; S115-Y158 WeakPolarHBondContact CA-O 3.19Å; F116-Y158 PolarHBondContact N-O 3.14Å; F116-Y158 PolarHBondContact O-N 3.39Å; V132-Y158 HydrophobicContact CG1-CE2 4.44Å; V134-Y158 HydrophobicContact CG1-CD2 4.43Å; R156-Y158 CarbonylContact O-C 3.48Å; R156-Y158 PolarHBondContact O-N 3.48Å; Y158-F188 HydrophobicContact CD1-CD2 4.12Å; Y158-F188 AromaticContact CD1-CE2 3.9Å; Y158-F188 HydrophobicContact CD1-CE2 3.9Å; Y158-F188 HydrophobicContact CD1-CZ 4.37Å; Y158-F188 HydrophobicContact CE1-CD2 4.35Å; Y158-F188 HydrophobicContact CE1-CE1 4.42Å; Y158-F188 AromaticContact CE1-CE2 3.76Å; Y158-F188 HydrophobicContact CE1-CE2 3.76Å; Y158-F188 AromaticContact CE1-CZ 3.8Å; Y158-F188 HydrophobicContact CE1-CZ 3.8Å; Y158-L209 HydrophobicContact CD1-CD1 3.36Å; Y158-L209 HydrophobicContact CD2-CD1 4.36Å; Y158-L209 HydrophobicContact CE1-CD1 4.01Å; Y158-L209 HydrophobicContact CG-CD1 3.57Å
159H98.6Very high96.8Very high6 Ų640.6 Ų40.63%0.02821%0.211CC..EExtended strand (participates in β ladder)trans-156.2162.5-179.161.5-77.2000113.2L94 H95 H97 E114 F151 N157L94-H159 WeakPolarHBondContact CA-O 3.4Å; L94-H159 WeakPolarHBondContact CD1-O 3.38Å; H95-H159 AromaticContact CE1-CD2 3.95Å; H95-H159 AromaticContact CE1-NE2 3.68Å; H95-H159 PolarHBondContact N-O 3.46Å; H95-H159 PolarHBondContact ND1-O 2.7Å; H95-H159 AromaticContact NE2-CE1 3.77Å; H95-H159 AromaticContact NE2-NE2 3.54Å; H95-H159 PolarHBondContact O-N 2.95Å; H97-H159 AromaticContact CD2-CE1 3.56Å; H97-H159 AromaticContact NE2-CE1 3.69Å; E114-H159 CarbonylContact O-C 3.54Å; E114-H159 WeakPolarHBondContact O-CA 3.43Å; E114-H159 WeakPolarHBondContact O-CB 3.48Å; F151-H159 HydrophobicContact CD1-CB 4.49Å; F151-H159 HydrophobicContact CE1-CB 4.02Å; F151-H159 AromaticContact CE1-CG 3.98Å; N157-H159 PolarHBondContact O-ND1 3.32Å
160R98.2Very high96.8Very high59 Ų5940 Ų4022%0.22321%0.207CC..EExtended strand (participates in β ladder)trans-128.8141.9174.1-179.8-171.7-65.3-159.79.5108E91 I92 L94 V113 E114E91-R160 IonicContact OE1-CZ 2.7Å; E91-R160 IonicContact OE1-NE 3.51Å; E91-R160 IonicContact OE1-NH1 3.73Å; E91-R160 PolarHBondContact OE1-NH1 2.74Å; E91-R160 WeakPolarHBondContact OE2-CD 3.48Å; E91-R160 IonicContact OE2-CZ 2.77Å; E91-R160 IonicContact OE2-NE 3.02Å; E91-R160 IonicContact OE2-NH1 3.6Å; E91-R160 PolarHBondContact OE2-NH1 3.49Å; I92-R160 WeakPolarHBondContact O-CG 3.41Å; L94-R160 HydrophobicContact CB-CB 4.36Å; V113-R160 WeakPolarHBondContact CA-O 3.45Å; E114-R160 HydrophobicContact CB-CB 4.44Å; E114-R160 PolarHBondContact N-O 3.46Å; E114-R160 VanDerWaalsContact N-O 3.08Å; E114-R160 PolarHBondContact O-N 3.29Å; E114-R160 WeakPolarHBondContact OE2-CD 3.21Å
161V98.5Very high96.9Very high1 Ų137.9 Ų37.91%0.00620%0.196CC..EExtended strand (participates in β ladder)trans-121.8116.7174.7-171.40000108.6L86 E91 I92 L104 C111 V113 F170L86-V161 HydrophobicContact CD2-CG1 4.39Å; L86-V161 WeakPolarHBondContact CD2-O 3.38Å; E91-V161 CarbonylContact C-O 3.45Å; E91-V161 VanDerWaalsContact CA-O 3.24Å; E91-V161 WeakPolarHBondContact CA-O 3.38Å; I92-V161 PolarHBondContact N-O 2.81Å; I92-V161 PolarHBondContact O-N 2.99Å; L104-V161 HydrophobicContact CD1-CG1 4.38Å; L104-V161 HydrophobicContact CD1-CG2 3.74Å; C111-V161 HydrophobicContact CB-CG1 3.64Å; V113-V161 HydrophobicContact CG2-CG1 4.4Å; V113-V161 HydrophobicContact CG2-CG2 4.39Å; V161-F170 HydrophobicContact CB-CE1 4.25Å; V161-F170 HydrophobicContact CB-CZ 4.16Å; V161-F170 HydrophobicContact CG1-CD1 4.2Å; V161-F170 HydrophobicContact CG1-CE1 3.54Å; V161-F170 HydrophobicContact CG1-CZ 3.89Å; V161-F170 HydrophobicContact CG2-CZ 4.26Å
162S97.4Very high96.9Very high13 Ų1338 Ų389%0.09120%0.197CC..EExtended strand (participates in β ladder)trans-116.2147.9-177.8-56.30000110.6E91 C111 L112 P164E91-S162 WeakPolarHBondContact CB-OG 3.39Å; E91-S162 PolarHBondContact OE2-OG 2.81Å; C111-S162 CarbonylContact C-O 3.5Å; C111-S162 WeakPolarHBondContact CA-O 3.47Å; C111-S162 WeakPolarHBondContact CB-O 3.48Å; L112-S162 PolarHBondContact N-O 3.48Å; L112-S162 PolarHBondContact O-N 2.9Å; S162-P164 WeakPolarHBondContact O-CD 3.45Å
163S96.6Very high96.9Very high1 Ų137 Ų371%0.00719%0.19CC..EExtended strand (participates in β ladder)trans-121.177.6179.9-165.70000109.2A88 G89 S90 R166 T168A88-S163 CarbonylContact C-O 3.55Å; A88-S163 WeakPolarHBondContact CA-O 3.28Å; G89-S163 PolarHBondContact N-O 2.89Å; S90-S163 PolarHBondContact O-N 3.15Å; S163-R166 PolarHBondContact OG-O 3Å; S163-T168 WeakPolarHBondContact OG-CB 3.42Å; S163-T168 PolarHBondContact OG-N 3.25Å; S163-T168 PolarHBondContact OG-OG1 2.86Å
164P93.9Very high97Very high60 Ų6035.1 Ų35.139%0.3918%0.178SC..  trans-66.8-50.7-162.3-21.834.2000113.4G89 L112 S162G89-P164 PolarHBondContact N-O 3.43Å; L112-P164 HydrophobicContact CB-CG 4.33Å; S162-P164 WeakPolarHBondContact O-CD 3.45Å
165D91.9Very high97.1Very high148 Ų14830.6 Ų30.679%0.79115%0.15SC*.SBendtrans-107.4-32.2-164.9-56.8-58000114.1
166R92.4Very high97Very high124 Ų12427.2 Ų27.247%0.46813%0.134SC..SBendtrans-139.8151.6-175.263.5176.9-66.7178.9-3.6110.3D108 S163 T168D108-R166 IonicContact OD1-NH2 3.92Å; S163-R166 PolarHBondContact OG-O 3Å; R166-T168 PolarHBondContact O-OG1 2.92Å
167P94.6Very high96.8Very high46 Ų4625.7 Ų25.730%0.29913%0.13SC..  trans-56.4148.4173-20.131.6000111.9L48 L86L48-P167 HydrophobicContact CD1-CB 3.52Å; L48-P167 HydrophobicContact CD1-CG 4.08Å; L86-P167 CarbonylContact O-C 3.56Å; L86-P167 WeakPolarHBondContact O-CA 3.37Å
168T97Very high96.3Very high0 Ų029.3 Ų29.30%014%0.143CC..EExtended strand (participates in β ladder)trans-137.1137-177.8-58.60000110.2C85 L86 V106 D108 S110 C111 S163 R166 F170C85-T168 CarbonylContact C-O 3.59Å; C85-T168 VanDerWaalsContact CA-O 3.31Å; C85-T168 WeakPolarHBondContact CA-O 3.22Å; L86-T168 PolarHBondContact N-O 3.14Å; L86-T168 PolarHBondContact O-N 3.38Å; V106-T168 HydrophobicContact CG1-CG2 4.04Å; D108-T168 WeakPolarHBondContact O-CA 3.31Å; D108-T168 WeakPolarHBondContact O-CG2 3.35Å; S110-T168 PolarHBondContact N-OG1 3.18Å; S110-T168 PolarHBondContact O-OG1 3.43Å; C111-T168 HydrophobicContact CB-CG2 3.92Å; S163-T168 WeakPolarHBondContact OG-CB 3.42Å; S163-T168 PolarHBondContact OG-N 3.25Å; S163-T168 PolarHBondContact OG-OG1 2.86Å; R166-T168 PolarHBondContact O-OG1 2.92Å; T168-F170 HydrophobicContact CG2-CD1 4.49Å
169A98.1Very high95.9Very high0 Ų033.7 Ų33.70%016%0.163CC..EExtended strand (participates in β ladder)trans-117136166.700000110Y42 A44 I83 F84 C85 I107 D108Y42-A169 HydrophobicContact CD1-CB 4.27Å; Y42-A169 HydrophobicContact CE1-CB 4Å; A44-A169 HydrophobicContact CB-CB 3.99Å; I83-A169 HydrophobicContact CG2-CB 4.44Å; F84-A169 CarbonylContact O-C 3.56Å; F84-A169 WeakPolarHBondContact O-CA 3.43Å; C85-A169 HydrophobicContact CB-CB 4.26Å; I107-A169 HydrophobicContact CD1-CB 4.2Å; I107-A169 HydrophobicContact CG1-CB 3.87Å; I107-A169 VanDerWaalsContact CG1-O 3.3Å; I107-A169 WeakPolarHBondContact CG1-O 3.34Å; I107-A169 PolarHBondContact N-O 3.31Å; D108-A169 HydrophobicContact CB-CB 4.27Å; D108-A169 PolarHBondContact N-O 3.4Å; D108-A169 VanDerWaalsContact N-O 3.1Å; D108-A169 PolarHBondContact O-N 2.9Å; D108-A169 VanDerWaalsContact O-O 3.11Å
170F98.6Very high95.2Very high0 Ų037.6 Ų37.60%019%0.191CC..EExtended strand (participates in β ladder)trans-136.6145.317560.3-95.1000111I83 F84 L86 I92 L104 K105 V106 V161 T168 D172I83-F170 CarbonylContact C-O 3.53Å; I83-F170 VanDerWaalsContact CA-O 3.29Å; I83-F170 WeakPolarHBondContact CA-O 3.42Å; F84-F170 HydrophobicContact CB-CD1 4.3Å; F84-F170 HydrophobicContact CB-CD2 4.16Å; F84-F170 HydrophobicContact CB-CE1 3.78Å; F84-F170 HydrophobicContact CB-CE2 3.64Å; F84-F170 HydrophobicContact CB-CG 4.49Å; F84-F170 HydrophobicContact CB-CZ 3.44Å; F84-F170 VanDerWaalsContact CB-CZ 3.44Å; F84-F170 HydrophobicContact CD2-CD2 4.41Å; F84-F170 AromaticContact CD2-CE2 3.59Å; F84-F170 HydrophobicContact CD2-CE2 3.59Å; F84-F170 AromaticContact CD2-CZ 3.98Å; F84-F170 HydrophobicContact CD2-CZ 3.98Å; F84-F170 AromaticContact CG-CE2 3.99Å; F84-F170 HydrophobicContact CG-CE2 3.99Å; F84-F170 AromaticContact CG-CZ 3.95Å; F84-F170 HydrophobicContact CG-CZ 3.95Å; F84-F170 PolarHBondContact N-O 2.84Å; F84-F170 PolarHBondContact O-N 2.96Å; L86-F170 HydrophobicContact CD1-CD1 4.46Å; L86-F170 HydrophobicContact CD1-CE1 3.57Å; L86-F170 HydrophobicContact CD1-CZ 4.19Å; L86-F170 HydrophobicContact CD2-CE1 4.27Å; I92-F170 HydrophobicContact CD1-CZ 3.68Å; L104-F170 HydrophobicContact CD1-CD2 3.71Å; L104-F170 HydrophobicContact CD1-CE2 3.71Å; L104-F170 HydrophobicContact CD1-CG 4.19Å; L104-F170 HydrophobicContact CD1-CZ 4.23Å; L104-F170 HydrophobicContact CD2-CB 4.11Å; L104-F170 HydrophobicContact CD2-CD2 4.4Å; L104-F170 HydrophobicContact CD2-CG 4.31Å; L104-F170 HydrophobicContact CG-CB 4.2Å; L104-F170 HydrophobicContact CG-CD2 3.65Å; L104-F170 HydrophobicContact CG-CE2 4.16Å; L104-F170 HydrophobicContact CG-CG 4.05Å; K105-F170 CarbonylContact O-C 3.6Å; K105-F170 VanDerWaalsContact O-CA 3.22Å; K105-F170 WeakPolarHBondContact O-CA 3.23Å; K105-F170 WeakPolarHBondContact O-CB 3.3Å; V106-F170 HydrophobicContact CG2-CB 4.38Å; V161-F170 HydrophobicContact CB-CE1 4.25Å; V161-F170 HydrophobicContact CB-CZ 4.16Å; V161-F170 HydrophobicContact CG1-CD1 4.2Å; V161-F170 HydrophobicContact CG1-CE1 3.54Å; V161-F170 HydrophobicContact CG1-CZ 3.89Å; V161-F170 HydrophobicContact CG2-CZ 4.26Å; T168-F170 HydrophobicContact CG2-CD1 4.49Å; F170-D172 VanDerWaalsContact CD2-OD1 3.29Å; F170-D172 WeakPolarHBondContact CD2-OD1 3.37Å; F170-D172 WeakPolarHBondContact CE2-OD2 3.4Å
171F98.7Very high94.5Very high0 Ų039.7 Ų39.70%021%0.212CC..EExtended strand (participates in β ladder)trans-96.3125.9176.2176-119.4000109.4I7 V32 V35 L40 V73 L81 C82 I83 K105 I107 V173I7-F171 HydrophobicContact CD1-CE1 4.4Å; I7-F171 HydrophobicContact CG2-CE1 4.47Å; V32-F171 HydrophobicContact CG1-CD1 4.28Å; V32-F171 HydrophobicContact CG1-CE1 4.5Å; V35-F171 HydrophobicContact CB-CD1 4.49Å; V35-F171 HydrophobicContact CG1-CD1 4.12Å; V35-F171 HydrophobicContact CG2-CD1 4.29Å; V35-F171 HydrophobicContact CG2-CE1 4.38Å; L40-F171 HydrophobicContact CD1-CB 3.83Å; L40-F171 HydrophobicContact CD1-CD2 3.94Å; L40-F171 HydrophobicContact CD1-CG 3.89Å; L40-F171 HydrophobicContact CD2-CD2 4Å; L40-F171 HydrophobicContact CD2-CE2 4Å; V73-F171 HydrophobicContact CB-CE2 4.36Å; V73-F171 HydrophobicContact CG1-CE2 4.42Å; V73-F171 HydrophobicContact CG2-CD2 4.4Å; V73-F171 HydrophobicContact CG2-CE2 4.11Å; L81-F171 HydrophobicContact CB-CE2 3.92Å; L81-F171 HydrophobicContact CB-CZ 4.06Å; L81-F171 HydrophobicContact CD1-CZ 4.37Å; L81-F171 HydrophobicContact CD2-CZ 4.44Å; C82-F171 CarbonylContact O-C 3.46Å; C82-F171 WeakPolarHBondContact O-CA 3.37Å; C82-F171 WeakPolarHBondContact O-CD2 3.29Å; I83-F171 HydrophobicContact CG1-CD2 4.01Å; K105-F171 PolarHBondContact N-O 2.73Å; K105-F171 PolarHBondContact O-N 2.92Å; I107-F171 HydrophobicContact CG2-CB 3.98Å; F171-V173 HydrophobicContact CD1-CG2 4.1Å; F171-V173 HydrophobicContact CE1-CG2 3.39Å; F171-V173 HydrophobicContact CZ-CG2 3.73Å
172D98.5Very high93.7Very high11 Ų1145.1 Ų45.16%0.05924%0.241CC..EExtended strand (participates in β ladder)trans-110.6136.2178.4-84.7-1.1000111L81 C82 L103 L104 F170L81-D172 WeakPolarHBondContact CA-O 3.23Å; C82-D172 PolarHBondContact N-O 3.14Å; C82-D172 PolarHBondContact O-N 3.38Å; L103-D172 WeakPolarHBondContact O-CA 3.37Å; L104-D172 VanDerWaalsContact CA-OD1 3.3Å; L104-D172 WeakPolarHBondContact CA-OD1 3.39Å; L104-D172 VanDerWaalsContact CB-OD1 3.32Å; L104-D172 WeakPolarHBondContact CB-OD1 3.32Å; L104-D172 WeakPolarHBondContact CG-OD1 3.22Å; F170-D172 VanDerWaalsContact CD2-OD1 3.29Å; F170-D172 WeakPolarHBondContact CD2-OD1 3.37Å; F170-D172 WeakPolarHBondContact CE2-OD2 3.4Å
173V98.7Very high93.3Very high0 Ų047 Ų470%025%0.247CC..EExtended strand (participates in β ladder)trans-117.8109.7170.6-178.80000108I7 V32 L81 G102 L103 F171 F175I7-V173 HydrophobicContact CG2-CG1 4.37Å; I7-V173 HydrophobicContact CG2-CG2 3.91Å; V32-V173 HydrophobicContact CG1-CG2 4.14Å; V32-V173 HydrophobicContact CG2-CB 4.45Å; V32-V173 HydrophobicContact CG2-CG2 3.7Å; L81-V173 HydrophobicContact CD2-CB 4Å; L81-V173 HydrophobicContact CD2-CG1 3.56Å; L81-V173 HydrophobicContact CD2-CG2 3.93Å; G102-V173 CarbonylContact C-O 3.58Å; G102-V173 WeakPolarHBondContact CA-O 3.44Å; L103-V173 HydrophobicContact CB-CB 4.19Å; L103-V173 PolarHBondContact N-O 3.46Å; L103-V173 PolarHBondContact O-N 3.38Å; F171-V173 HydrophobicContact CD1-CG2 4.1Å; F171-V173 HydrophobicContact CE1-CG2 3.39Å; F171-V173 HydrophobicContact CZ-CG2 3.73Å; V173-F175 HydrophobicContact CG1-CD1 3.94Å; V173-F175 HydrophobicContact CG1-CE1 4.22Å
174L98.4Very high93Very high5 Ų549.5 Ų49.53%0.02626%0.259CS..EExtended strand (participates in β ladder)trans-112.1125.9-178.1-64.5173.9000110.5M79 N80 M100 Y101 Y178M79-L174 CarbonylContact C-O 3.51Å; M79-L174 VanDerWaalsContact CA-O 3.31Å; M79-L174 WeakPolarHBondContact CA-O 3.22Å; M79-L174 WeakPolarHBondContact CB-O 3.38Å; N80-L174 HydrophobicContact CB-CB 4.3Å; N80-L174 PolarHBondContact N-O 3Å; N80-L174 PolarHBondContact O-N 2.78Å; M100-L174 HydrophobicContact CE-CB 3.73Å; M100-L174 HydrophobicContact CE-CD1 4.28Å; M100-L174 HydrophobicContact CE-CD2 4.45Å; M100-L174 HydrophobicContact CE-CG 4.38Å; Y101-L174 WeakPolarHBondContact O-CA 3.22Å; L174-Y178 HydrophobicContact CD1-CE2 3.86Å
175F98Very high93Very high0 Ų048.4 Ų48.40%025%0.253CS..EExtended strand (participates in β ladder)trans-155.8141.7-177.660.8-77000112.6I14 V15 Y20 I25 L28 M79 Y101 L103 V173I14-F175 HydrophobicContact CD1-CE2 4.44Å; I14-F175 HydrophobicContact CG2-CD2 4.25Å; I14-F175 HydrophobicContact CG2-CE2 4Å; V15-F175 HydrophobicContact CG2-CB 4Å; V15-F175 HydrophobicContact CG2-CD2 4.14Å; Y20-F175 HydrophobicContact CD1-CE2 4.26Å; Y20-F175 HydrophobicContact CE1-CD2 4.02Å; Y20-F175 HydrophobicContact CE1-CE2 4.22Å; I25-F175 HydrophobicContact CD1-CE2 3.6Å; I25-F175 HydrophobicContact CD1-CZ 3.69Å; L28-F175 HydrophobicContact CD2-CD1 4.2Å; L28-F175 HydrophobicContact CD2-CE1 3.48Å; L28-F175 VanDerWaalsContact CD2-CE1 3.48Å; L28-F175 HydrophobicContact CD2-CE2 4.12Å; L28-F175 HydrophobicContact CD2-CZ 3.44Å; L28-F175 VanDerWaalsContact CD2-CZ 3.44Å; M79-F175 HydrophobicContact CB-CB 4.13Å; Y101-F175 VanDerWaalsContact CB-CZ 3.46Å; Y101-F175 HydrophobicContact CD2-CE2 4.22Å; Y101-F175 HydrophobicContact CG-CE2 4.03Å; Y101-F175 HydrophobicContact CG-CZ 4.05Å; Y101-F175 PolarHBondContact N-O 2.82Å; Y101-F175 PolarHBondContact O-N 2.91Å; L103-F175 HydrophobicContact CD1-CE1 4.27Å; V173-F175 HydrophobicContact CG1-CD1 3.94Å; V173-F175 HydrophobicContact CG1-CE1 4.22Å
176P95.2Very high93.1Very high16 Ų1645.5 Ų45.510%0.10423%0.234CC..SBendcis-57.1166-14.730.3-37.1000111V15 M100V15-P176 HydrophobicContact CG1-CB 4.34Å; M100-P176 WeakPolarHBondContact CE-O 3.44Å; M100-P176 WeakPolarHBondContact CG-O 2.97Å
177P92.9Very high93.4Very high10 Ų1042.6 Ų42.67%0.06522%0.224CC..PPolyproline II helixtrans-74.4170.2-170.935.7-35.7000110.2D76 D77 L78 R183D76-P177 WeakPolarHBondContact O-CG 3.4Å; D77-P177 VanDerWaalsContact C-CG 3.48Å; D77-P177 WeakPolarHBondContact O-CD 3.45Å; D77-P177 WeakPolarHBondContact O-CG 3.34Å; L78-P177 VanDerWaalsContact C-CD 3.46Å; L78-P177 WeakPolarHBondContact O-CD 3.38Å; P177-R183 PolarHBondContact O-NE 3.37Å; P177-R183 PolarHBondContact O-NH2 3.28Å
178Y88.1Confident93.4Very high84 Ų8441.1 Ų41.133%0.32921%0.213SC..PPolyproline II helixtrans-51.4145168.5-64.3-69.3000111.5H97 M100 L174 R183 C185H97-Y178 AromaticContact CE1-CZ 3.57Å; H97-Y178 PolarHBondContact CE1-OH 2.95Å; H97-Y178 AromaticContact ND1-CE1 3.38Å; H97-Y178 WeakPolarHBondContact ND1-CE1 3.41Å; H97-Y178 AromaticContact ND1-CZ 3.33Å; H97-Y178 VanDerWaalsContact ND1-CZ 3.33Å; H97-Y178 PolarHBondContact ND1-OH 3.4Å; M100-Y178 HydrophobicContact CE-CD1 3.83Å; M100-Y178 HydrophobicContact CE-CD2 4.28Å; M100-Y178 HydrophobicContact CE-CE1 3.99Å; M100-Y178 HydrophobicContact CE-CE2 4.42Å; M100-Y178 HydrophobicContact CE-CG 4.04Å; M100-Y178 HydrophobicContact SD-CD1 3.55Å; M100-Y178 VanDerWaalsContact SD-CD1 3.55Å; M100-Y178 HydrophobicContact SD-CE1 3.89Å; M100-Y178 HydrophobicContact SD-CG 4.2Å; L174-Y178 HydrophobicContact CD1-CE2 3.86Å; Y178-R183 WeakPolarHBondContact CA-O 3.44Å; Y178-R183 WeakPolarHBondContact CB-O 3.36Å; Y178-R183 VanDerWaalsContact CD1-O 3.23Å; Y178-R183 WeakPolarHBondContact CD1-O 3.48Å; Y178-C185 HydrophobicContact CE1-CB 3.82Å
179K89.2Confident93.3Very high123 Ų12343.5 Ų43.554%0.53523%0.23SC..BIsolated β-bridgetrans-156.1101.1179.9-177.5173-175.5170.50109.8N182 R183K179-N182 PolarHBondContact O-N 2.9Å; K179-R183 VanDerWaalsContact CB-NH2 3.31Å; K179-R183 PolarHBondContact N-O 2.83Å; K179-R183 VanDerWaalsContact N-O 3.15Å; K179-R183 PolarHBondContact O-N 3.34Å
180S84.1Confident93.2Very high88 Ų8846.4 Ų46.462%0.61525%0.245SC*.THydrogen-bonded Turntrans-64.9143.3179.5-46.30000112D184S180-D184 VanDerWaalsContact CA-OD1 3.22Å; S180-D184 WeakPolarHBondContact CA-OD1 3.5Å; S180-D184 VanDerWaalsContact CB-OD1 3.23Å; S180-D184 WeakPolarHBondContact CB-OD1 3.21Å; S180-D184 WeakPolarHBondContact CB-OD2 3.27Å; S180-D184 PolarHBondContact OG-OD1 3.06Å; S180-D184 PolarHBondContact OG-OD2 2.97Å
181P84.2Confident92.7Very high103 Ų10348.2 Ų48.267%0.66926%0.256SS*.THydrogen-bonded Turncis-86.1-1.9-7.536.1-35.6000113.4R183P181-R183 PolarHBondContact O-N 3Å
182N80.5Confident91.9Very high116 Ų11653.5 Ų53.562%0.6229%0.289SS*.THydrogen-bonded Turntrans-76.5-26.1-164.4-64-29.8000114.2K179K179-N182 PolarHBondContact O-N 2.9Å
183R89.8Confident90.5Very high53 Ų5362.6 Ų62.620%0.232%0.322CS..BIsolated β-bridgetrans-137.856.5-178.6-53.9-168.7-66.4-99.32.5108.3P98 M100 P177 Y178 K179 P181P98-R183 WeakPolarHBondContact O-CD 3.25Å; P98-R183 WeakPolarHBondContact O-CG 3.39Å; M100-R183 HydrophobicContact CG-CB 4.45Å; M100-R183 HydrophobicContact SD-CB 4.08Å; P177-R183 PolarHBondContact O-NE 3.37Å; P177-R183 PolarHBondContact O-NH2 3.28Å; Y178-R183 WeakPolarHBondContact CA-O 3.44Å; Y178-R183 WeakPolarHBondContact CB-O 3.36Å; Y178-R183 VanDerWaalsContact CD1-O 3.23Å; Y178-R183 WeakPolarHBondContact CD1-O 3.48Å; K179-R183 VanDerWaalsContact CB-NH2 3.31Å; K179-R183 PolarHBondContact N-O 2.83Å; K179-R183 VanDerWaalsContact N-O 3.15Å; K179-R183 PolarHBondContact O-N 3.34Å; P181-R183 PolarHBondContact O-N 3Å
184D90.5Very high88.9Confident52 Ų5264.8 Ų64.828%0.27834%0.337SS..  trans-88.2147.8165.4-70.5-22.7000108.7P98 S180 H186P98-D184 WeakPolarHBondContact CD-O 3.42Å; P98-D184 WeakPolarHBondContact CG-O 3.43Å; S180-D184 VanDerWaalsContact CA-OD1 3.22Å; S180-D184 WeakPolarHBondContact CA-OD1 3.5Å; S180-D184 VanDerWaalsContact CB-OD1 3.23Å; S180-D184 WeakPolarHBondContact CB-OD1 3.21Å; S180-D184 WeakPolarHBondContact CB-OD2 3.27Å; S180-D184 PolarHBondContact OG-OD1 3.06Å; S180-D184 PolarHBondContact OG-OD2 2.97Å; D184-H186 PolarHBondContact O-CE1 3.29Å; D184-H186 PolarHBondContact O-ND1 2.85Å; D184-H186 VanDerWaalsContact O-ND1 3.1Å
185C93.7Very high87.1Confident38 Ų3867.1 Ų67.126%0.25735%0.352SS..  trans-75.7131.5171.8175.90000109.6H95 D96 Y178H95-C185 VanDerWaalsContact CD2-SG 3.59Å; D96-C185 PolarHBondContact O-SG 2.92Å; Y178-C185 HydrophobicContact CE1-CB 3.82Å
186H95Very high85.4Confident86 Ų8671.3 Ų71.340%0.39838%0.382SS..  trans-115.7150.9174.8-48.786.9000110.3H95 D96 D184 F188H95-H186 CarbonylContact C-O 3.51Å; H95-H186 WeakPolarHBondContact CA-O 3.43Å; H95-H186 WeakPolarHBondContact CB-O 3.48Å; D96-H186 PolarHBondContact N-O 3.35Å; D96-H186 VanDerWaalsContact N-O 3.12Å; D96-H186 WeakPolarHBondContact OD1-CB 3.22Å; D96-H186 IonicContact OD1-CG 2.95Å; D96-H186 PolarHBondContact OD1-N 2.83Å; D96-H186 IonicContact OD1-ND1 3.62Å; D96-H186 PolarHBondContact OD1-ND1 3.49Å; D96-H186 VanDerWaalsContact OD1-ND1 3.08Å; D96-H186 IonicContact OD2-ND1 3.78Å; D184-H186 PolarHBondContact O-CE1 3.29Å; D184-H186 PolarHBondContact O-ND1 2.85Å; D184-H186 VanDerWaalsContact O-ND1 3.1Å; H186-F188 HydrophobicContact CB-CE2 3.7Å; H186-F188 HydrophobicContact CB-CZ 3.72Å; H186-F188 WeakPolarHBondContact O-CE2 3.29Å
187Y96.7Very high83.4Confident63 Ų6374.4 Ų74.425%0.24742%0.417CS..BIsolated β-bridgetrans-107.6148177.7-66.4-78.2000111.8P93 L94 H95 P211 C212 P214 Y217P93-Y187 HydrophobicContact CB-CD1 4Å; P93-Y187 HydrophobicContact CB-CE1 4.34Å; P93-Y187 HydrophobicContact CG-CD1 4.48Å; P93-Y187 HydrophobicContact CG-CE1 4.46Å; L94-Y187 WeakPolarHBondContact O-CA 3.44Å; H95-Y187 HydrophobicContact CB-CD1 3.69Å; H95-Y187 HydrophobicContact CB-CE1 3.8Å; H95-Y187 HydrophobicContact CB-CG 4.49Å; Y187-P211 WeakPolarHBondContact O-CA 3.36Å; Y187-C212 PolarHBondContact O-N 3.15Å; Y187-P214 HydrophobicContact CD1-CG 3.75Å; Y187-P214 HydrophobicContact CD2-CG 4.01Å; Y187-P214 HydrophobicContact CE1-CG 4.26Å; Y187-P214 HydrophobicContact CE2-CG 4.49Å; Y187-P214 HydrophobicContact CG-CG 3.61Å; Y187-Y217 HydrophobicContact CE1-CD1 4.33Å; Y187-Y217 HydrophobicContact CE1-CE1 4.35Å; Y187-Y217 VanDerWaalsContact OH-CE1 3.26Å; Y187-Y217 WeakPolarHBondContact OH-CE1 3.26Å
188F96.5Very high81.2Confident15 Ų1575.7 Ų75.77%0.06643%0.432CS..EExtended strand (participates in β ladder)trans-137.9156.6-175.7-54.3-93.8000112.9L94 D96 Y158 H186 L209 L210 P211L94-F188 HydrophobicContact CD2-CB 4.24Å; L94-F188 HydrophobicContact CG-CB 4.18Å; L94-F188 PolarHBondContact O-N 2.93Å; D96-F188 HydrophobicContact CB-CE2 3.94Å; Y158-F188 HydrophobicContact CD1-CD2 4.12Å; Y158-F188 AromaticContact CD1-CE2 3.9Å; Y158-F188 HydrophobicContact CD1-CE2 3.9Å; Y158-F188 HydrophobicContact CD1-CZ 4.37Å; Y158-F188 HydrophobicContact CE1-CD2 4.35Å; Y158-F188 HydrophobicContact CE1-CE1 4.42Å; Y158-F188 AromaticContact CE1-CE2 3.76Å; Y158-F188 HydrophobicContact CE1-CE2 3.76Å; Y158-F188 AromaticContact CE1-CZ 3.8Å; Y158-F188 HydrophobicContact CE1-CZ 3.8Å; H186-F188 HydrophobicContact CB-CE2 3.7Å; H186-F188 HydrophobicContact CB-CZ 3.72Å; H186-F188 WeakPolarHBondContact O-CE2 3.29Å; F188-L209 HydrophobicContact CB-CB 3.98Å; F188-L209 HydrophobicContact CB-CD1 4.48Å; F188-L209 HydrophobicContact CD1-CB 3.87Å; F188-L209 HydrophobicContact CG-CB 4.08Å; F188-L209 HydrophobicContact CG-CD1 4.41Å; F188-L210 CarbonylContact C-O 3.57Å; F188-L210 VanDerWaalsContact CA-O 3.22Å; F188-L210 WeakPolarHBondContact CA-O 3.35Å; F188-P211 HydrophobicContact CD1-CG 4.36Å; F188-P211 HydrophobicContact CE1-CG 4.18Å
189S95.1Very high79.2Confident51 Ų5180.2 Ų80.236%0.35746%0.461SS..EExtended strand (participates in β ladder)trans-107.8139.6161.559.20000110.2L209 L210S189-L209 WeakPolarHBondContact O-CA 3.29Å; S189-L210 PolarHBondContact N-O 3.24Å; S189-L210 PolarHBondContact O-N 3.33Å; S189-L210 PolarHBondContact OG-O 2.66Å
190L94.1Very high77.3Confident61 Ų6179.1 Ų79.132%0.31947%0.468SS..EExtended strand (participates in β ladder)trans-87.1134.1174.6178.269.6000110.7L94 F116 V134 I136 L209L94-L190 HydrophobicContact CD2-CB 4.23Å; F116-L190 HydrophobicContact CD1-CD1 4.28Å; F116-L190 HydrophobicContact CE1-CD1 3.95Å; F116-L190 HydrophobicContact CE1-CD2 3.61Å; F116-L190 HydrophobicContact CE1-CG 4.36Å; F116-L190 HydrophobicContact CZ-CD2 3.87Å; V134-L190 HydrophobicContact CG2-CD1 4.4Å; I136-L190 HydrophobicContact CD1-CD1 4.48Å; I136-L190 HydrophobicContact CD1-CD2 4.47Å; L190-L209 HydrophobicContact CB-CD2 4.16Å; L190-L209 HydrophobicContact CD1-CD2 3.63Å
191T89.7Confident75.6Confident38 Ų3880.9 Ų80.923%0.23348%0.479CS..EExtended strand (participates in β ladder)trans-128.9137.6164.9175.60000110R193 G207 F208 L210T191-R193 VanDerWaalsContact C-N 3.32Å; T191-R193 PolarHBondContact OG1-N 3.08Å; T191-R193 VanDerWaalsContact OG1-N 3.1Å; T191-R193 PolarHBondContact OG1-O 3.13Å; T191-G207 CarbonylContact O-C 3.58Å; T191-G207 WeakPolarHBondContact O-CA 3.35Å; T191-F208 HydrophobicContact CG2-CB 3.86Å; T191-F208 PolarHBondContact N-O 3.49Å; T191-F208 PolarHBondContact O-N 2.94Å; T191-L210 HydrophobicContact CG2-CD1 4.14Å; T191-L210 HydrophobicContact CG2-CG 4.42Å
192T80.7Confident73.9Confident111 Ų11183.3 Ų83.368%0.68149%0.486SS*.SBendtrans-88.1-3.7171.353.30000112.6I136I136-T192 HydrophobicContact CD1-CG2 4.47Å
193R70.3Confident72.7Confident201 Ų20183.7 Ų83.776%0.75849%0.485SS*.SBendtrans-91.9134.8174.9-63.7-179.3177.9176.5-0.5110.1T191T191-R193 VanDerWaalsContact C-N 3.32Å; T191-R193 PolarHBondContact OG1-N 3.08Å; T191-R193 VanDerWaalsContact OG1-N 3.1Å; T191-R193 PolarHBondContact OG1-O 3.13Å
194C64.5Low71.5Confident46 Ų4690.3 Ų90.331%0.31152%0.518SS..  trans-51.9132.2162.3-73.10000109.4S196 G197 G198 F208C194-S196 PolarHBondContact O-N 3.43Å; C194-G197 PolarHBondContact O-N 3.26Å; C194-G198 PolarHBondContact SG-O 3Å; C194-G198 VanDerWaalsContact SG-O 3.38Å; C194-F208 HydrophobicContact CB-CE2 4.27Å; C194-F208 HydrophobicContact CB-CZ 4.49Å
195P60.6Low71.3Confident55 Ų5590.3 Ų90.336%0.35752%0.522SS..THydrogen-bonded Turntrans-53.4-30.5177.5-27.234.4000113.3A131A131-P195 HydrophobicContact CB-CG 4.24Å
196S62.6Low71.1Confident88 Ų8891.2 Ų91.262%0.61552%0.521SS*.THydrogen-bonded Turntrans-110.140.2-179.1-51.90000113.4C194 G198C194-S196 PolarHBondContact O-N 3.43Å; S196-G198 VanDerWaalsContact C-N 3.27Å; S196-G198 PolarHBondContact O-N 3.39Å
197G51.8Low71Confident81 Ų8187.1 Ų87.184%0.83550%0.503SS*.  trans60.311.215800000119.8C194C194-G197 PolarHBondContact O-N 3.26Å
198G46.9Very low70.8Confident37 Ų3785.1 Ų85.138%0.38150%0.495SS..  trans-113.8132.7-177.100000114.5C194 S196C194-G198 PolarHBondContact SG-O 3Å; C194-G198 VanDerWaalsContact SG-O 3.38Å; S196-G198 VanDerWaalsContact C-N 3.27Å; S196-G198 PolarHBondContact O-N 3.39Å
199L46.3Very low70.7Confident179 Ų17984.4 Ų84.494%0.93749%0.492SS*.  trans84.9162.5160-60.6169.3000120.2
200S49.1Very low70.7Confident99 Ų9984.7 Ų84.769%0.69249%0.49SS*.  trans-79.5145-139.945.20000117.2D202S200-D202 PolarHBondContact O-N 3.14Å
201C48.2Very low70.7Confident125 Ų12585.4 Ų85.485%0.84550%0.498SS*.SBendtrans-68.628.2-178.6-65.50000117.1
202D49.8Very low70.8Confident154 Ų15486 Ų8682%0.82450%0.503SS*.  trans-104.234-178.2-95.7-0.8000113.7S200S200-D202 PolarHBondContact O-N 3.14Å
203E55.8Low71.4Confident125 Ų12584.7 Ų84.758%0.58450%0.503SS*.  trans-150.367.9173.8-70.8-165.8156.600111.7S205 F206E203-S205 PolarHBondContact O-N 3.13Å; E203-F206 HydrophobicContact CB-CD2 3.95Å; E203-F206 HydrophobicContact CG-CD2 4.5Å; E203-F206 PolarHBondContact O-N 3.45Å
204Q63.3Low72.3Confident191 Ų19176.6 Ų76.689%0.89348%0.477SS*.THydrogen-bonded Turntrans-57.3-10.1178.1-72.8179.521.100114.6
205S86Confident73.1Confident52 Ų5283.8 Ų83.836%0.36450%0.503SS..THydrogen-bonded Turntrans-89.13.1-180540000114.2R135 I136 E203R135-S205 CarbonylContact C-O 3.49Å; R135-S205 VanDerWaalsContact CA-O 3.29Å; R135-S205 WeakPolarHBondContact CA-O 3.21Å; R135-S205 WeakPolarHBondContact CG-O 3.44Å; I136-S205 PolarHBondContact N-O 2.97Å; E203-S205 PolarHBondContact O-N 3.13Å
206F90.8Very high74.2Confident57 Ų5785.7 Ų85.725%0.2552%0.518CS..EExtended strand (participates in β ladder)trans-124.7154.8180-65.7-94.2000113.4V119 V134 R135 I136 E203V119-F206 HydrophobicContact CG1-CD1 4.21Å; V119-F206 HydrophobicContact CG1-CE1 3.68Å; V119-F206 HydrophobicContact CG2-CD1 4.49Å; V119-F206 HydrophobicContact CG2-CE1 4.45Å; V134-F206 CarbonylContact O-C 3.57Å; V134-F206 VanDerWaalsContact O-CA 3.29Å; V134-F206 WeakPolarHBondContact O-CA 3.43Å; R135-F206 HydrophobicContact CB-CD1 4.31Å; R135-F206 HydrophobicContact CB-CE1 4.17Å; I136-F206 WeakPolarHBondContact CD1-O 3.39Å; E203-F206 HydrophobicContact CB-CD2 3.95Å; E203-F206 HydrophobicContact CG-CD2 4.5Å; E203-F206 PolarHBondContact O-N 3.45Å
207G92.1Very high75.4Confident1 Ų183.5 Ų83.51%0.0150%0.496CS..EExtended strand (participates in β ladder)trans-157.8-179174.900000111.9V134 T191V134-G207 WeakPolarHBondContact CG2-O 3.4Å; V134-G207 PolarHBondContact N-O 3.07Å; V134-G207 PolarHBondContact O-N 3.35Å; T191-G207 CarbonylContact O-C 3.58Å; T191-G207 WeakPolarHBondContact O-CA 3.35Å
208F92.9Very high77.2Confident20 Ų2082.6 Ų82.69%0.08847%0.467CS..EExtended strand (participates in β ladder)trans-123135.8176.5-59.2-94000109.8V132 Q133 T191 C194V132-F208 CarbonylContact O-C 3.48Å; V132-F208 WeakPolarHBondContact O-CA 3.4Å; Q133-F208 HydrophobicContact CB-CD1 4.1Å; Q133-F208 HydrophobicContact CB-CE1 3.99Å; Q133-F208 HydrophobicContact CG-CD1 4.26Å; Q133-F208 HydrophobicContact CG-CE1 3.88Å; Q133-F208 HydrophobicContact CG-CZ 4.27Å; T191-F208 HydrophobicContact CG2-CB 3.86Å; T191-F208 PolarHBondContact N-O 3.49Å; T191-F208 PolarHBondContact O-N 2.94Å; C194-F208 HydrophobicContact CB-CE2 4.27Å; C194-F208 HydrophobicContact CB-CZ 4.49Å
209L94.5Very high79.2Confident0 Ų083.3 Ų83.30%047%0.466CS..EExtended strand (participates in β ladder)trans-98.9129.2172.3-55-169.4000109.1L94 A131 V132 V134 Y158 F188 S189 L190L94-L209 HydrophobicContact CD2-CD1 4.34Å; L94-L209 HydrophobicContact CD2-CD2 3.51Å; A131-L209 WeakPolarHBondContact CA-O 3.32Å; V132-L209 HydrophobicContact CB-CB 4.28Å; V132-L209 PolarHBondContact N-O 2.71Å; V132-L209 PolarHBondContact O-N 2.9Å; V134-L209 HydrophobicContact CB-CG 4.47Å; V134-L209 HydrophobicContact CG1-CD1 3.68Å; V134-L209 HydrophobicContact CG1-CG 3.73Å; V134-L209 HydrophobicContact CG2-CD1 4.41Å; V134-L209 HydrophobicContact CG2-CD2 3.95Å; V134-L209 HydrophobicContact CG2-CG 3.85Å; Y158-L209 HydrophobicContact CD1-CD1 3.36Å; Y158-L209 HydrophobicContact CD2-CD1 4.36Å; Y158-L209 HydrophobicContact CE1-CD1 4.01Å; Y158-L209 HydrophobicContact CG-CD1 3.57Å; F188-L209 HydrophobicContact CB-CB 3.98Å; F188-L209 HydrophobicContact CB-CD1 4.48Å; F188-L209 HydrophobicContact CD1-CB 3.87Å; F188-L209 HydrophobicContact CG-CB 4.08Å; F188-L209 HydrophobicContact CG-CD1 4.41Å; S189-L209 WeakPolarHBondContact O-CA 3.29Å; L190-L209 HydrophobicContact CB-CD2 4.16Å; L190-L209 HydrophobicContact CD1-CD2 3.63Å
210L93.7Very high81.3Confident58 Ų5876.8 Ų76.830%0.30443%0.431SS..EExtended strand (participates in β ladder)trans-113.8129.6174.9-62.2173.3000108.8A131 F188 S189 T191 C212A131-L210 HydrophobicContact CB-CD2 3.76Å; F188-L210 CarbonylContact C-O 3.57Å; F188-L210 VanDerWaalsContact CA-O 3.22Å; F188-L210 WeakPolarHBondContact CA-O 3.35Å; S189-L210 PolarHBondContact N-O 3.24Å; S189-L210 PolarHBondContact O-N 3.33Å; S189-L210 PolarHBondContact OG-O 2.66Å; T191-L210 HydrophobicContact CG2-CD1 4.14Å; T191-L210 HydrophobicContact CG2-CG 4.42Å; L210-C212 PolarHBondContact O-N 3.25Å
211P94Very high83.3Confident75 Ų7577.4 Ų77.449%0.48743%0.43SS..EExtended strand (participates in β ladder)trans-52.9137175.2-28.235.5000111.7D130 Y187 F188D130-P211 HydrophobicContact CB-CG 4.17Å; D130-P211 WeakPolarHBondContact O-CD 3.4Å; Y187-P211 WeakPolarHBondContact O-CA 3.36Å; F188-P211 HydrophobicContact CD1-CG 4.36Å; F188-P211 HydrophobicContact CE1-CG 4.18Å
212C93.7Very high85.4Confident51 Ų5173.1 Ų73.135%0.34540%0.396SS..  trans-145.1170.4-179.784.70000111.8Y187 L210Y187-C212 PolarHBondContact O-N 3.15Å; L210-C212 PolarHBondContact O-N 3.25Å
213A91.7Very high87.4Confident83 Ų8369 Ų6969%0.68638%0.384SS*.  trans-120.2101170.800000108.6K215A213-K215 PolarHBondContact O-N 3.5Å
214P89.1Confident89.3Confident31 Ų3165.3 Ų65.320%0.20137%0.365CS..  trans-70.798.1-17527.6-33.8000110.8P93 Y187 S216 Y217P93-P214 HydrophobicContact CB-CB 3.94Å; P93-P214 HydrophobicContact CB-CG 4.09Å; P93-P214 HydrophobicContact CG-CB 3.64Å; P93-P214 HydrophobicContact CG-CG 3.85Å; Y187-P214 HydrophobicContact CD1-CG 3.75Å; Y187-P214 HydrophobicContact CD2-CG 4.01Å; Y187-P214 HydrophobicContact CE1-CG 4.26Å; Y187-P214 HydrophobicContact CE2-CG 4.49Å; Y187-P214 HydrophobicContact CG-CG 3.61Å; P214-S216 VanDerWaalsContact C-N 3.27Å; P214-S216 PolarHBondContact O-N 3.18Å; P214-Y217 PolarHBondContact O-N 3.02Å
215K83.1Confident90.6Very high197 Ų19763 Ų6386%0.85735%0.354SS*.THydrogen-bonded Turntrans-65.7-25.7-174.1-63-175.9-179.2178.90114.5A213A213-K215 PolarHBondContact O-N 3.5Å
216S83Confident90.9Very high96 Ų9661.3 Ų61.367%0.67135%0.345SS*.THydrogen-bonded Turntrans-90.1-9.7-178.554.10000113.5P214P214-S216 VanDerWaalsContact C-N 3.27Å; P214-S216 PolarHBondContact O-N 3.18Å
217Y88.5Confident90.9Very high42 Ų4263.3 Ų63.317%0.16536%0.355CS..  trans-85.1125.9179176.6-114.7000110.4C68 E91 I92 P93 Y187 P214 C219C68-Y217 HydrophobicContact CB-CE2 4.08Å; E91-Y217 WeakPolarHBondContact O-CD2 3.43Å; I92-Y217 HydrophobicContact CB-CE2 4.33Å; I92-Y217 HydrophobicContact CG1-CE2 4.16Å; I92-Y217 HydrophobicContact CG2-CE2 4.3Å; P93-Y217 VanDerWaalsContact CG-CB 3.42Å; P93-Y217 HydrophobicContact CG-CD1 4.23Å; P93-Y217 HydrophobicContact CG-CD2 3.99Å; P93-Y217 HydrophobicContact CG-CG 3.62Å; Y187-Y217 HydrophobicContact CE1-CD1 4.33Å; Y187-Y217 HydrophobicContact CE1-CE1 4.35Å; Y187-Y217 VanDerWaalsContact OH-CE1 3.26Å; Y187-Y217 WeakPolarHBondContact OH-CE1 3.26Å; P214-Y217 PolarHBondContact O-N 3.02Å; Y217-C219 HydrophobicContact CE1-CB 4.38Å
218R87.9Confident91Very high61 Ų6172.8 Ų72.823%0.2339%0.39CS..  trans-132.2143.5171.2-71.4-152.3-65.7-84.6-9.4109.2E63 P67 C68E63-R218 IonicContact OE1-NH1 2.97Å; E63-R218 PolarHBondContact OE1-NH1 3.43Å; E63-R218 IonicContact OE2-CZ 3.26Å; E63-R218 IonicContact OE2-NH1 3.87Å; E63-R218 PolarHBondContact OE2-NH1 2.69Å; E63-R218 IonicContact OE2-NH2 3.91Å; E63-R218 PolarHBondContact OE2-NH2 3.35Å; P67-R218 HydrophobicContact CB-CB 3.77Å; C68-R218 PolarHBondContact N-O 3.11Å
219C90.5Very high91.1Very high52 Ų5272.1 Ų72.135%0.35139%0.388SS..EExtended strand (participates in β ladder)trans-130.4127.1174.7-159.60000109.6C68 Y70 Y217C68-C219 CarbonylContact O-C 3.59Å; C68-C219 VanDerWaalsContact O-CA 3.23Å; C68-C219 WeakPolarHBondContact O-CA 3.48Å; Y70-C219 WeakPolarHBondContact CB-SG 3.32Å; Y217-C219 HydrophobicContact CE1-CB 4.38Å
220E90.6Very high91.1Very high43 Ų4376 Ų7620%0.20141%0.412CS..EExtended strand (participates in β ladder)trans-108.5145.5177.1-69.8-168.2143.600110.9S51 H55 P67 C68 V69 Y70S51-E220 WeakPolarHBondContact CB-OE2 3.41Å; S51-E220 PolarHBondContact OG-OE2 3.15Å; H55-E220 VanDerWaalsContact CE1-CD 3.49Å; H55-E220 IonicContact CE1-OE1 3.58Å; H55-E220 PolarHBondContact CE1-OE1 3.4Å; H55-E220 IonicContact CE1-OE2 3.87Å; H55-E220 IonicContact ND1-OE1 3.08Å; H55-E220 IonicContact ND1-OE2 3.62Å; P67-E220 HydrophobicContact CB-CG 4.05Å; P67-E220 HydrophobicContact CG-CB 4.39Å; P67-E220 HydrophobicContact CG-CG 3.66Å; P67-E220 WeakPolarHBondContact CG-OE2 3.24Å; C68-E220 PolarHBondContact O-N 3Å; V69-E220 CarbonylContact C-O 3.56Å; V69-E220 WeakPolarHBondContact CA-O 3.36Å; Y70-E220 PolarHBondContact N-O 2.98Å
221V90.9Very high91Very high111 Ų11174.4 Ų74.467%0.67340%0.403SS*.EExtended strand (participates in β ladder)trans-84.9130.5178.5-176.90000110.1Y70Y70-V221 HydrophobicContact CD1-CG2 4.27Å; Y70-V221 CarbonylContact O-C 3.52Å; Y70-V221 VanDerWaalsContact O-CA 3.31Å; Y70-V221 WeakPolarHBondContact O-CA 3.24Å
222Y90.4Very high90.4Very high36 Ų3679.3 Ų79.314%0.14143%0.425CS..  trans-115.5141.7169.3-177.5-102000109.7Y42 A47 F50 V69 Y70 T71Y42-Y222 HydrophobicContact CE2-CD1 4.23Å; A47-Y222 HydrophobicContact CB-CD1 4.01Å; A47-Y222 HydrophobicContact CB-CE1 4.16Å; A47-Y222 HydrophobicContact CB-CG 4.21Å; F50-Y222 HydrophobicContact CB-CD2 3.97Å; F50-Y222 HydrophobicContact CB-CE2 3.69Å; F50-Y222 AromaticContact CD1-CD2 3.57Å; F50-Y222 HydrophobicContact CD1-CD2 3.57Å; F50-Y222 HydrophobicContact CD1-CE2 4.02Å; F50-Y222 HydrophobicContact CD2-CE2 4.21Å; F50-Y222 HydrophobicContact CE1-CD2 4.18Å; F50-Y222 AromaticContact CG-CD2 3.78Å; F50-Y222 HydrophobicContact CG-CD2 3.78Å; F50-Y222 AromaticContact CG-CE2 3.71Å; F50-Y222 HydrophobicContact CG-CE2 3.71Å; V69-Y222 HydrophobicContact CG1-CG 4.23Å; Y70-Y222 PolarHBondContact O-N 2.86Å; T71-Y222 WeakPolarHBondContact CA-O 3.17Å; T71-Y222 PolarHBondContact OG1-O 2.61Å
223A92.8Very high90.3Very high68 Ų6880.7 Ų80.756%0.56243%0.429SS*.  trans-74.1135.8-174.600000110.8
224Y95.6Very high90.2Very high47 Ų4780.6 Ų80.618%0.18442%0.416CS..  trans-79.7124.7173.5-175.2-121.7000110.9L40 T71 E72 V73 I83 E227L40-Y224 HydrophobicContact CB-CE2 4.39Å; L40-Y224 HydrophobicContact CD2-CE2 4.46Å; L40-Y224 WeakPolarHBondContact O-CE2 3.48Å; L40-Y224 PolarHBondContact O-OH 2.97Å; T71-Y224 HydrophobicContact CG2-CD2 3.83Å; T71-Y224 HydrophobicContact CG2-CG 4.15Å; E72-Y224 WeakPolarHBondContact O-CB 3.45Å; V73-Y224 HydrophobicContact CB-CE1 4.36Å; V73-Y224 HydrophobicContact CB-CE2 4.45Å; V73-Y224 HydrophobicContact CG1-CD1 4.45Å; V73-Y224 HydrophobicContact CG1-CE1 3.82Å; V73-Y224 HydrophobicContact CG1-CE2 4.29Å; V73-Y224 HydrophobicContact CG2-CD2 3.99Å; V73-Y224 HydrophobicContact CG2-CE2 3.81Å; V73-Y224 HydrophobicContact CG2-CG 4.45Å; I83-Y224 HydrophobicContact CD1-CD2 4.46Å; I83-Y224 HydrophobicContact CD1-CE2 4.26Å; Y224-E227 WeakPolarHBondContact CE1-O 3.48Å
225E91.6Very high90.3Very high141 Ų14183.3 Ų83.366%0.65943%0.428SS*.  trans-106.55.5179.5-59.5-172.3172.700113
226G92Very high90.7Very high17 Ų1776.6 Ų76.618%0.17540%0.402CS..SBendtrans-76.5-170.7178.200000113.9
227E90.2Very high91.2Very high99 Ų9975.4 Ų75.446%0.46339%0.386SS..PPolyproline II helixtrans-68136.2177.4-175.3-175.9-172.600111.2S2 Y224 V229S2-E227 WeakPolarHBondContact CB-OE2 3.48Å; S2-E227 PolarHBondContact OG-OE2 3.4Å; Y224-E227 WeakPolarHBondContact CE1-O 3.48Å; E227-V229 PolarHBondContact O-N 3.05Å
228R94.2Very high91.3Very high200 Ų20077.7 Ų77.776%0.75540%0.4SS*.PPolyproline II helixtrans-67.8126.6172.7-174.5177.8-168.8-114.91.1110.5V230R228-V230 HydrophobicContact CG-CG2 4.38Å
229V96.1Very high91.6Very high7 Ų778.9 Ų78.94%0.04241%0.412CS..PPolyproline II helixtrans-78.3130.9172.2177.80000110I4 A8 Y74 E227I4-V229 HydrophobicContact CG2-CG2 3.7Å; A8-V229 HydrophobicContact CB-CG1 3.45Å; A8-V229 VanDerWaalsContact CB-CG1 3.45Å; Y74-V229 HydrophobicContact CD1-CG1 4.19Å; Y74-V229 HydrophobicContact CD2-CB 3.52Å; Y74-V229 HydrophobicContact CD2-CG1 3.72Å; Y74-V229 HydrophobicContact CD2-CG2 4.5Å; Y74-V229 HydrophobicContact CE1-CG1 4.44Å; Y74-V229 HydrophobicContact CE2-CB 4.14Å; Y74-V229 HydrophobicContact CE2-CG1 3.99Å; Y74-V229 HydrophobicContact CG-CB 3.79Å; Y74-V229 HydrophobicContact CG-CG1 3.81Å; Y74-V229 HydrophobicContact CG-CG2 4.39Å; E227-V229 PolarHBondContact O-N 3.05Å
230V94.1Very high91.7Very high81 Ų8180.9 Ų80.949%0.49142%0.417SS..  trans-132.9107.6176.9-177.90000108.3Q5 R228Q5-V230 VanDerWaalsContact NE2-C 3.34Å; Q5-V230 PolarHBondContact NE2-O 3.13Å; Q5-V230 PolarHBondContact OE1-O 2.71Å; R228-V230 HydrophobicContact CG-CG2 4.38Å
231L91.8Very high91.7Very high24 Ų2484.1 Ų84.113%0.12644%0.435CS..  trans-73.6148175.6-62.8179.4000111.1A8 A12 Y74 L78 M79A8-L231 HydrophobicContact CB-CD2 3.75Å; A12-L231 HydrophobicContact CB-CD1 3.82Å; A12-L231 HydrophobicContact CB-CD2 4.2Å; Y74-L231 HydrophobicContact CE1-CD1 4.08Å; Y74-L231 HydrophobicContact CE1-CG 4.36Å; Y74-L231 VanDerWaalsContact OH-CD1 3.25Å; Y74-L231 WeakPolarHBondContact OH-CD1 3.39Å; Y74-L231 WeakPolarHBondContact OH-CG 3.41Å; L78-L231 HydrophobicContact CD1-CD1 4.14Å; M79-L231 HydrophobicContact CE-CD1 3.78Å; M79-L231 HydrophobicContact CE-CD2 4.4Å
232D81.3Confident91.8Very high178 Ų17881.6 Ų81.695%0.95241%0.414SS*.  trans-73.90167.8-64-31.1000111.6R16R16-D232 PolarHBondContact NH1-O 2.93Å; R16-D232 PolarHBondContact NH2-O 2.72Å; R16-D232 VanDerWaalsContact NH2-O 3.13Å

Retrieved 232 of 232 residues in 475.5 ms (Link to these results)

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