A0A077ZCI3_TRITR Loading...

IL17 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZCI3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 158 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
1M46.6Very low52.1Low187 Ų187125.2 Ų125.292%0.92158%0.584SS**  0-42.50-142.3176.3-7400111.5R3 L4 F5M1-R3 VanDerWaalsContact C-N 3.27Å; M1-R3 PolarHBondContact O-N 3.43Å; M1-R3 VanDerWaalsContact O-N 3.16Å; M1-L4 PolarHBondContact O-N 2.94Å; M1-F5 PolarHBondContact O-N 3.13Å
2E47.5Very low51Low159 Ų159125.3 Ų125.374%0.74359%0.591SS**Hα-helixtrans-50.2-37.7176.1-70.1-178.5143.300115.1L4 F5 N6E2-L4 PolarHBondContact O-N 3.08Å; E2-F5 PolarHBondContact O-N 2.87Å; E2-N6 WeakPolarHBondContact O-CB 3.5Å; E2-N6 VanDerWaalsContact O-CG 3.24Å; E2-N6 PolarHBondContact O-N 3.43Å; E2-N6 PolarHBondContact O-ND2 3.38Å
3R56.6Low50.3Low228 Ų228123.8 Ų123.886%0.8660%0.603SS**Hα-helixtrans-66.6-33.6-175.7-145.2177.7-174.8-171.61.9113.8M1 W7M1-R3 VanDerWaalsContact C-N 3.27Å; M1-R3 PolarHBondContact O-N 3.43Å; M1-R3 VanDerWaalsContact O-N 3.16Å; R3-W7 VanDerWaalsContact O-CB 3.27Å; R3-W7 WeakPolarHBondContact O-CB 3.3Å; R3-W7 PolarHBondContact O-N 3.26Å; R3-W7 VanDerWaalsContact O-N 3.08Å
4L50.5Low49.6Very low90 Ų90122.4 Ų122.447%0.47161%0.612SS.*Hα-helixtrans-77.5-41.6177.1-172.674.1000110.7M1 E2 W7 M8 I79M1-L4 PolarHBondContact O-N 2.94Å; E2-L4 PolarHBondContact O-N 3.08Å; L4-W7 HydrophobicContact CD1-CE3 4.49Å; L4-W7 PolarHBondContact O-N 3.17Å; L4-M8 WeakPolarHBondContact O-CG 3.22Å; L4-M8 PolarHBondContact O-N 2.93Å; L4-I79 HydrophobicContact CD2-CD1 4.11Å
5F47.7Very low48.9Very low116 Ų116121 Ų12151%0.50960%0.603SS.*Hα-helixtrans-63.4-47175.8-122.4-89.7000111.4M1 E2 W7 M8 L9M1-F5 PolarHBondContact O-N 3.13Å; E2-F5 PolarHBondContact O-N 2.87Å; F5-W7 VanDerWaalsContact C-N 3.29Å; F5-W7 PolarHBondContact O-N 3.49Å; F5-M8 HydrophobicContact CD2-CE 3.86Å; F5-M8 HydrophobicContact CE2-CE 4.15Å; F5-M8 HydrophobicContact CG-CE 4.1Å; F5-M8 PolarHBondContact O-N 3.25Å; F5-L9 HydrophobicContact CD1-CD1 4.22Å; F5-L9 WeakPolarHBondContact O-CB 3.27Å; F5-L9 VanDerWaalsContact O-CG 3.3Å; F5-L9 WeakPolarHBondContact O-CG 3.16Å; F5-L9 PolarHBondContact O-N 3.16Å
6N54.4Low48.4Very low99 Ų99120.8 Ų120.853%0.52961%0.613SS.*Hα-helixtrans-61.9-37173.8-73.7-17.2000111.8E2 L9 S10E2-N6 WeakPolarHBondContact O-CB 3.5Å; E2-N6 VanDerWaalsContact O-CG 3.24Å; E2-N6 PolarHBondContact O-N 3.43Å; E2-N6 PolarHBondContact O-ND2 3.38Å; N6-L9 PolarHBondContact O-N 3.39Å; N6-S10 WeakPolarHBondContact O-CB 3.49Å; N6-S10 PolarHBondContact O-N 2.81Å; N6-S10 PolarHBondContact O-OG 3.19Å
7W61.2Low48.1Very low135 Ų135119.4 Ų119.451%0.51161%0.612SS.*Hα-helixtrans-64.6-44.1173.917885.2000112.3R3 L4 F5 S10R3-W7 VanDerWaalsContact O-CB 3.27Å; R3-W7 WeakPolarHBondContact O-CB 3.3Å; R3-W7 PolarHBondContact O-N 3.26Å; R3-W7 VanDerWaalsContact O-N 3.08Å; L4-W7 HydrophobicContact CD1-CE3 4.49Å; L4-W7 PolarHBondContact O-N 3.17Å; F5-W7 VanDerWaalsContact C-N 3.29Å; F5-W7 PolarHBondContact O-N 3.49Å; W7-S10 WeakPolarHBondContact CA-OG 3.49Å; W7-S10 PolarHBondContact O-N 3.39Å; W7-S10 PolarHBondContact O-OG 3.08Å
8M52.8Low48.1Very low56 Ų56115.2 Ų115.228%0.27659%0.589SS.*Hα-helixtrans-63.3-40.9176.1-70.9-173.9-60.500112.4L4 F5 S10 I79L4-M8 WeakPolarHBondContact O-CG 3.22Å; L4-M8 PolarHBondContact O-N 2.93Å; F5-M8 HydrophobicContact CD2-CE 3.86Å; F5-M8 HydrophobicContact CE2-CE 4.15Å; F5-M8 HydrophobicContact CG-CE 4.1Å; F5-M8 PolarHBondContact O-N 3.25Å; M8-S10 VanDerWaalsContact C-N 3.33Å; M8-I79 HydrophobicContact CE-CD1 4.26Å; M8-I79 HydrophobicContact SD-CD1 3.84Å; M8-I79 HydrophobicContact SD-CG1 4.15Å; M8-I79 HydrophobicContact SD-CG2 3.82Å
9L51.6Low48.4Very low129 Ų129113.8 Ų113.868%0.67558%0.582SS**Hα-helixtrans-71.6-26.7176.7-66.1172.2000112.6F5 N6 R11F5-L9 HydrophobicContact CD1-CD1 4.22Å; F5-L9 WeakPolarHBondContact O-CB 3.27Å; F5-L9 VanDerWaalsContact O-CG 3.3Å; F5-L9 WeakPolarHBondContact O-CG 3.16Å; F5-L9 PolarHBondContact O-N 3.16Å; N6-L9 PolarHBondContact O-N 3.39Å; L9-R11 VanDerWaalsContact C-N 3.29Å; L9-R11 PolarHBondContact O-N 3.32Å
10S56Low49Very low78 Ų78109.7 Ų109.755%0.54556%0.562SS.*THydrogen-bonded Turntrans-76.6-8.8179.273.90000114.6N6 W7 M8 N12N6-S10 WeakPolarHBondContact O-CB 3.49Å; N6-S10 PolarHBondContact O-N 2.81Å; N6-S10 PolarHBondContact O-OG 3.19Å; W7-S10 WeakPolarHBondContact CA-OG 3.49Å; W7-S10 PolarHBondContact O-N 3.39Å; W7-S10 PolarHBondContact O-OG 3.08Å; M8-S10 VanDerWaalsContact C-N 3.33Å; S10-N12 PolarHBondContact O-N 2.87Å
11R48Very low49.8Very low100 Ų100110.8 Ų110.838%0.37757%0.565SS.*  trans-70.687.8173.1-72.3-112.7-157.4151.710109.2L9 Q15L9-R11 VanDerWaalsContact C-N 3.29Å; L9-R11 PolarHBondContact O-N 3.32Å; R11-Q15 VanDerWaalsContact CZ-OE1 3.25Å
12N39Very low50.5Low126 Ų126101.9 Ų101.967%0.67452%0.521SS*.  trans-55.3153.7168.3-141-7.9000109.5S10 S14S10-N12 PolarHBondContact O-N 2.87Å; N12-S14 PolarHBondContact O-N 3.14Å
13S42.6Very low51.5Low106 Ų10695.8 Ų95.874%0.74149%0.493SS*.THydrogen-bonded Turntrans-53.78.6-16857.20000118.5
14S40.6Very low51.8Low104 Ų10491.4 Ų91.473%0.72749%0.487SS*.THydrogen-bonded Turntrans-91.5-6.8-178.1580000114.7N12N12-S14 PolarHBondContact O-N 3.14Å
15Q38.9Very low52.5Low102 Ų10288.3 Ų88.348%0.47747%0.472SS..SBendtrans-121.6113.5171.9-73-176-27.500109.1R11 T17R11-Q15 VanDerWaalsContact CZ-OE1 3.25Å; Q15-T17 VanDerWaalsContact C-N 3.26Å; Q15-T17 PolarHBondContact O-N 2.97Å
16P40.4Very low53.4Low118 Ų11884.2 Ų84.277%0.76646%0.459SS*.  trans-68.386.6-179.828.2-32.9000109
17T42.9Very low54Low97 Ų9780.5 Ų80.560%0.59544%0.439SS*.  trans-79.8-14.4161.341.30000111.1Q15 L19Q15-T17 VanDerWaalsContact C-N 3.26Å; Q15-T17 PolarHBondContact O-N 2.97Å; T17-L19 VanDerWaalsContact C-N 3.29Å; T17-L19 PolarHBondContact O-N 2.84Å; T17-L19 VanDerWaalsContact O-N 3.09Å
18Q49.6Very low54.2Low44 Ų4481.9 Ų81.921%0.20644%0.444CS..  trans-79.586163.3-60.5-166.833.100107.6L20 E21Q18-L20 PolarHBondContact O-N 2.86Å; Q18-L20 VanDerWaalsContact O-N 3.07Å; Q18-E21 HydrophobicContact CB-CG 3.67Å; Q18-E21 HydrophobicContact CG-CG 4.39Å; Q18-E21 VanDerWaalsContact OE1-CG 3.24Å; Q18-E21 PolarHBondContact OE1-OE1 3.04Å
19L53.4Low54.8Low88 Ų8887 Ų8746%0.46146%0.461SS..SBendtrans-54.4-23.9169.2-161.387.4000110.8T17 Y108T17-L19 VanDerWaalsContact C-N 3.29Å; T17-L19 PolarHBondContact O-N 2.84Å; T17-L19 VanDerWaalsContact O-N 3.09Å; L19-Y108 HydrophobicContact CD1-CE1 4.31Å; L19-Y108 HydrophobicContact CD2-CD1 3.33Å; L19-Y108 HydrophobicContact CD2-CE1 3.27Å; L19-Y108 HydrophobicContact CD2-CG 4.16Å; L19-Y108 HydrophobicContact CG-CE1 4.38Å
20L59.9Low55.7Low32 Ų3283.8 Ų83.817%0.16845%0.445CS..SBendtrans-139.6115.6174.7-56.7165000107.2Q18 P22 W70 I129 V131Q18-L20 PolarHBondContact O-N 2.86Å; Q18-L20 VanDerWaalsContact O-N 3.07Å; L20-P22 WeakPolarHBondContact O-CD 3.4Å; L20-W70 HydrophobicContact CB-CH2 4.25Å; L20-W70 HydrophobicContact CB-CZ3 4.28Å; L20-W70 HydrophobicContact CD1-CH2 4.46Å; L20-W70 HydrophobicContact CD1-CZ3 4.1Å; L20-W70 HydrophobicContact CD2-CH2 4.41Å; L20-I129 HydrophobicContact CD1-CD1 3.61Å; L20-I129 HydrophobicContact CD1-CG1 4.48Å; L20-V131 HydrophobicContact CD1-CB 3.95Å; L20-V131 HydrophobicContact CD1-CG1 3.56Å; L20-V131 HydrophobicContact CD2-CB 3.7Å; L20-V131 HydrophobicContact CD2-CG1 3.88Å; L20-V131 HydrophobicContact CG-CB 4.47Å; L20-V131 HydrophobicContact CG-CG1 4.27Å
21E65.4Low56.1Low133 Ų13384.2 Ų84.262%0.62144%0.444SS*.  trans-89.3108.3163.2-56.4-15014100106.1Q18 D23Q18-E21 HydrophobicContact CB-CG 3.67Å; Q18-E21 HydrophobicContact CG-CG 4.39Å; Q18-E21 VanDerWaalsContact OE1-CG 3.24Å; Q18-E21 PolarHBondContact OE1-OE1 3.04Å; E21-D23 VanDerWaalsContact C-N 3.29Å; E21-D23 PolarHBondContact O-N 2.68Å
22P62.7Low56.9Low0 Ų087.6 Ų87.60%046%0.464CS..  trans-73.290.9179.24.612.1000106.7L20 N24 V25 W70 P84L20-P22 WeakPolarHBondContact O-CD 3.4Å; P22-N24 PolarHBondContact O-N 3.24Å; P22-V25 HydrophobicContact CB-CB 4.15Å; P22-V25 HydrophobicContact CB-CG2 4.35Å; P22-V25 HydrophobicContact CG-CB 3.9Å; P22-V25 HydrophobicContact CG-CG1 4.46Å; P22-V25 VanDerWaalsContact O-CB 3.28Å; P22-V25 WeakPolarHBondContact O-CB 3.23Å; P22-V25 VanDerWaalsContact O-CG2 3.3Å; P22-V25 WeakPolarHBondContact O-CG2 3.46Å; P22-V25 PolarHBondContact O-N 3.41Å; P22-W70 HydrophobicContact CB-CB 3.88Å; P22-W70 HydrophobicContact CB-CD2 3.5Å; P22-W70 HydrophobicContact CB-CE3 4.06Å; P22-W70 HydrophobicContact CB-CG 3.4Å; P22-W70 HydrophobicContact CB-CZ2 4.48Å; P22-P84 HydrophobicContact CB-CB 4.31Å; P22-P84 HydrophobicContact CG-CB 3.54Å; P22-P84 HydrophobicContact CG-CG 3.48Å; P22-P84 VanDerWaalsContact CG-CG 3.48Å
23D67.1Low58.1Low31 Ų3185.2 Ų85.217%0.16647%0.47CS..THydrogen-bonded Turntrans41.259160.4-66.8-36.1000113.6E21 Y59 S61 W70E21-D23 VanDerWaalsContact C-N 3.29Å; E21-D23 PolarHBondContact O-N 2.68Å; D23-Y59 HydrophobicContact CB-CD1 3.29Å; D23-Y59 HydrophobicContact CB-CD2 3.97Å; D23-Y59 HydrophobicContact CB-CE1 3.58Å; D23-Y59 HydrophobicContact CB-CE2 4.22Å; D23-Y59 HydrophobicContact CB-CG 3.5Å; D23-Y59 VanDerWaalsContact CB-CG 3.5Å; D23-Y59 VanDerWaalsContact CG-CB 3.47Å; D23-Y59 VanDerWaalsContact CG-CD1 3.45Å; D23-Y59 PolarHBondContact O-OH 3.24Å; D23-Y59 WeakPolarHBondContact OD1-CD1 3.28Å; D23-S61 PolarHBondContact OD2-OG 3.07Å; D23-W70 PolarHBondContact OD2-NE1 3.37Å
24N64.1Low59.3Low136 Ų13686.5 Ų86.573%0.72746%0.464SS*.THydrogen-bonded Turntrans73.713-177.1-59.3-42.6000118.2P22 A26 Y59P22-N24 PolarHBondContact O-N 3.24Å; N24-A26 PolarHBondContact O-N 3.01Å; N24-Y59 WeakPolarHBondContact ND2-CE1 3.3Å; N24-Y59 PolarHBondContact ND2-OH 3.1Å
25V63.6Low60.9Low25 Ų2583 Ų8315%0.15244%0.437CS..  trans-84.6101.5171.2-1790000110.5P22 L27 H42P22-V25 HydrophobicContact CB-CB 4.15Å; P22-V25 HydrophobicContact CB-CG2 4.35Å; P22-V25 HydrophobicContact CG-CB 3.9Å; P22-V25 HydrophobicContact CG-CG1 4.46Å; P22-V25 VanDerWaalsContact O-CB 3.28Å; P22-V25 WeakPolarHBondContact O-CB 3.23Å; P22-V25 VanDerWaalsContact O-CG2 3.3Å; P22-V25 WeakPolarHBondContact O-CG2 3.46Å; P22-V25 PolarHBondContact O-N 3.41Å; V25-L27 HydrophobicContact CG1-CD2 3.92Å; V25-L27 PolarHBondContact O-N 3.11Å; V25-H42 HydrophobicContact CG2-CB 3.6Å
26A68.3Low63.1Low29 Ų2981.6 Ų81.624%0.2444%0.437CS..  trans-82.596.2169.300000110.5N24 R28 Y29N24-A26 PolarHBondContact O-N 3.01Å; A26-R28 HydrophobicContact CB-CG 4.29Å; A26-R28 PolarHBondContact O-N 2.98Å; A26-Y29 HydrophobicContact CB-CD2 3.41Å; A26-Y29 VanDerWaalsContact CB-CD2 3.41Å; A26-Y29 HydrophobicContact CB-CE2 3.45Å; A26-Y29 VanDerWaalsContact CB-CE2 3.45Å; A26-Y29 WeakPolarHBondContact O-CD2 3.41Å; A26-Y29 PolarHBondContact O-N 3.25Å
27L66.7Low65.5Low22 Ų2281.2 Ų81.212%0.11543%0.429CS..G310 helixtrans-53.9-24.4-177.1-58.8171.9000114.2V25 Y29 L30 L41 I82 P84V25-L27 HydrophobicContact CG1-CD2 3.92Å; V25-L27 PolarHBondContact O-N 3.11Å; L27-Y29 PolarHBondContact O-N 3.07Å; L27-L30 HydrophobicContact CD2-CD1 4Å; L27-L30 PolarHBondContact O-N 3.17Å; L27-L41 HydrophobicContact CD2-CD1 3.92Å; L27-L41 HydrophobicContact CD2-CD2 4.16Å; L27-I82 HydrophobicContact CD1-CG2 4.04Å; L27-I82 HydrophobicContact CD2-CG2 4Å; L27-I82 HydrophobicContact CG-CG2 4.45Å; L27-P84 HydrophobicContact CD1-CG 3.57Å; L27-P84 HydrophobicContact CD2-CG 4.24Å; L27-P84 HydrophobicContact CG-CG 4.34Å
28R65.5Low67.8Low164 Ų16478.1 Ų78.162%0.61942%0.417SS*.G310 helixtrans-61.8-17.3177.668.4-175.2179.7-154.9-1.2114.6A26A26-R28 HydrophobicContact CB-CG 4.29Å; A26-R28 PolarHBondContact O-N 2.98Å
29Y65.6Low69.6Low163 Ų16377 Ų7764%0.63941%0.414SS*.G310 helixtrans-95.8-0.6-178.7-59.9-65.3000113.7A26 L27 T31A26-Y29 HydrophobicContact CB-CD2 3.41Å; A26-Y29 VanDerWaalsContact CB-CD2 3.41Å; A26-Y29 HydrophobicContact CB-CE2 3.45Å; A26-Y29 VanDerWaalsContact CB-CE2 3.45Å; A26-Y29 WeakPolarHBondContact O-CD2 3.41Å; A26-Y29 PolarHBondContact O-N 3.25Å; L27-Y29 PolarHBondContact O-N 3.07Å; Y29-T31 PolarHBondContact O-N 2.96Å
30L69Low71.4Confident62 Ų6276.5 Ų76.533%0.32541%0.412SS..  trans-79.1122.5178.3-63.2170.4000109.8L27 L35 L41 M72L27-L30 HydrophobicContact CD2-CD1 4Å; L27-L30 PolarHBondContact O-N 3.17Å; L30-L35 HydrophobicContact CB-CD2 3.72Å; L30-L35 HydrophobicContact CD1-CD2 4.44Å; L30-L41 HydrophobicContact CD1-CD2 3.82Å; L30-M72 HydrophobicContact CD1-CE 3.6Å
31T65.4Low72.6Confident87 Ų8776.3 Ų76.353%0.53441%0.411SS..  trans-79.3149.917953.60000111.2Y29 G33 H34Y29-T31 PolarHBondContact O-N 2.96Å; T31-G33 PolarHBondContact O-N 2.91Å; T31-G33 VanDerWaalsContact O-N 3.08Å; T31-H34 PolarHBondContact O-N 3.28Å; T31-H34 PolarHBondContact OG1-ND1 2.72Å
32E63.6Low73.6Confident170 Ų17072.3 Ų72.379%0.79439%0.392SS*.G310 helixtrans-52.3-36.5-173.4-70.3-177.1165.900113.9H34 L35E32-H34 PolarHBondContact O-N 3.43Å; E32-H34 VanDerWaalsContact O-N 3.13Å; E32-L35 PolarHBondContact O-N 3.48Å
33G65.5Low74.8Confident77 Ų7773.5 Ų73.579%0.79440%0.404SS*.G310 helixtrans-66.2-11.317900000115.4T31T31-G33 PolarHBondContact O-N 2.91Å; T31-G33 VanDerWaalsContact O-N 3.08Å
34H66.7Low75.9Confident133 Ų13376.5 Ų76.562%0.61642%0.42SS*.G310 helixtrans-112.13.1-179.4-60.492.1000113T31 E32 C36T31-H34 PolarHBondContact O-N 3.28Å; T31-H34 PolarHBondContact OG1-ND1 2.72Å; E32-H34 PolarHBondContact O-N 3.43Å; E32-H34 VanDerWaalsContact O-N 3.13Å; H34-C36 PolarHBondContact O-N 3.26Å; H34-C36 VanDerWaalsContact O-N 3.14Å
35L75.3Confident77.4Confident30 Ų3075.9 Ų75.916%0.15741%0.408CS..  trans-83.491.2-179.7-60-178.3000110.1L30 E32 M72 Y74 I82L30-L35 HydrophobicContact CB-CD2 3.72Å; L30-L35 HydrophobicContact CD1-CD2 4.44Å; E32-L35 PolarHBondContact O-N 3.48Å; L35-M72 HydrophobicContact CB-SD 4.45Å; L35-M72 HydrophobicContact CD2-CE 3.9Å; L35-M72 HydrophobicContact CD2-SD 4.07Å; L35-Y74 HydrophobicContact CB-CD1 4.18Å; L35-Y74 HydrophobicContact CB-CD2 4.31Å; L35-Y74 HydrophobicContact CB-CE1 3.92Å; L35-Y74 HydrophobicContact CB-CE2 4.05Å; L35-Y74 HydrophobicContact CB-CG 4.36Å; L35-Y74 HydrophobicContact CD1-CE2 3.9Å; L35-Y74 WeakPolarHBondContact O-CD1 3.37Å; L35-I82 HydrophobicContact CD1-CD1 4.21Å; L35-I82 HydrophobicContact CD2-CD1 3.54Å; L35-I82 HydrophobicContact CD2-CG1 4.31Å
36C85.4Confident78.9Confident73 Ų7380.1 Ų80.149%0.49343%0.43SS..  trans-123.8135.4172.360.60000111.9H34 G38 A39H34-C36 PolarHBondContact O-N 3.26Å; H34-C36 VanDerWaalsContact O-N 3.14Å; C36-G38 PolarHBondContact O-N 2.81Å; C36-A39 VanDerWaalsContact O-CB 3.22Å; C36-A39 WeakPolarHBondContact O-CB 3.24Å; C36-A39 PolarHBondContact O-N 2.81Å; C36-A39 VanDerWaalsContact O-N 3.09Å
37N89.6Confident80.1Confident109 Ų10981.9 Ų81.958%0.58344%0.439SS*.THydrogen-bonded Turntrans-62.2130.8176.8-170.645000109.9M72 N73 Y74N37-M72 PolarHBondContact OD1-O 2.82Å; N37-N73 VanDerWaalsContact OD1-CA 3.3Å; N37-N73 WeakPolarHBondContact OD1-CA 3.4Å; N37-Y74 PolarHBondContact OD1-N 2.85Å
38G90.7Very high81.4Confident33 Ų3383 Ų8334%0.3445%0.448SS..THydrogen-bonded Turntrans84.9-0.2-175.100000115.4C36 M72C36-G38 PolarHBondContact O-N 2.81Å; G38-M72 WeakPolarHBondContact CA-O 3.4Å; G38-M72 PolarHBondContact N-O 2.77Å
39A89.1Confident82.5Confident19 Ų1982 Ų8216%0.15746%0.46CS..  trans-54142.5173.400000111.3C36 L41 K71 M72C36-A39 VanDerWaalsContact O-CB 3.22Å; C36-A39 WeakPolarHBondContact O-CB 3.24Å; C36-A39 PolarHBondContact O-N 2.81Å; C36-A39 VanDerWaalsContact O-N 3.09Å; A39-L41 PolarHBondContact O-N 3.39Å; A39-K71 CarbonylContact O-C 3.5Å; A39-K71 VanDerWaalsContact O-CA 3.24Å; A39-K71 WeakPolarHBondContact O-CA 3.22Å; A39-M72 HydrophobicContact CB-CB 3.95Å; A39-M72 HydrophobicContact CB-CE 4.34Å; A39-M72 PolarHBondContact O-N 3.09Å
40L89.5Confident83.5Confident78 Ų7881.3 Ų81.341%0.40846%0.463SS..EExtended strand (participates in β ladder)trans-70.3124.1168.7-177.465.1000108.5R45 Y69L40-R45 HydrophobicContact CD1-CG 4.3Å; L40-Y69 HydrophobicContact CD1-CD2 3.53Å; L40-Y69 HydrophobicContact CD1-CE2 4.28Å; L40-Y69 HydrophobicContact CD1-CG 4.25Å
41L85.5Confident84.2Confident29 Ų2980.3 Ų80.315%0.15246%0.459CS..EExtended strand (participates in β ladder)trans-92.8-48.1173.4-69.6176000111L27 L30 A39 W70 M72 P84L27-L41 HydrophobicContact CD2-CD1 3.92Å; L27-L41 HydrophobicContact CD2-CD2 4.16Å; L30-L41 HydrophobicContact CD1-CD2 3.82Å; A39-L41 PolarHBondContact O-N 3.39Å; L41-W70 HydrophobicContact CB-CB 4.06Å; L41-W70 WeakPolarHBondContact CB-O 3.36Å; L41-W70 PolarHBondContact N-O 2.94Å; L41-M72 HydrophobicContact CD1-CB 4.16Å; L41-M72 HydrophobicContact CD2-CB 4.03Å; L41-M72 HydrophobicContact CD2-CE 3.58Å; L41-M72 HydrophobicContact CD2-CG 4.4Å; L41-M72 HydrophobicContact CG-CB 3.96Å; L41-P84 HydrophobicContact CD1-CB 4.17Å
42H87.2Confident84.9Confident49 Ų4978.9 Ų78.923%0.22745%0.451CS..EExtended strand (participates in β ladder)trans-161.5158.6-176.9-175.273.8000111.5V25 Y59 Y69 W70V25-H42 HydrophobicContact CG2-CB 3.6Å; H42-Y59 AromaticContact CE1-CE2 3.55Å; H42-Y59 AromaticContact NE2-CD2 3.34Å; H42-Y59 VanDerWaalsContact NE2-CD2 3.34Å; H42-Y59 WeakPolarHBondContact NE2-CD2 3.18Å; H42-Y59 AromaticContact NE2-CE2 3.28Å; H42-Y59 VanDerWaalsContact NE2-CE2 3.28Å; H42-Y59 WeakPolarHBondContact NE2-CE2 3.46Å; H42-Y69 WeakPolarHBondContact O-CB 3.5Å; H42-W70 HydrophobicContact CB-CB 4.33Å; H42-W70 PolarHBondContact N-O 3.38Å; H42-W70 PolarHBondContact O-N 2.67Å
43G88Confident85.3Confident24 Ų2477.5 Ų77.525%0.24745%0.454CS..SBendtrans88.8173.9176.800000113.7
44N90.8Very high85.3Confident95 Ų9575.9 Ų75.951%0.50843%0.431SS..  trans-97.8138.4178.1-166.4-9.7000111.1D46 Y69N44-D46 PolarHBondContact OD1-N 3.36Å; N44-Y69 WeakPolarHBondContact O-CB 3.5Å; N44-Y69 WeakPolarHBondContact O-CD1 3.42Å
45R94Very high85.1Confident122 Ų12271.6 Ų71.646%0.4642%0.422SS..SBendtrans-78.4-25.1175.4-65.1-176.8175-171.5-2.2112.5L40 Y69L40-R45 HydrophobicContact CD1-CG 4.3Å; R45-Y69 HydrophobicContact CB-CE1 4.3Å; R45-Y69 HydrophobicContact CG-CD1 4.38Å; R45-Y69 HydrophobicContact CG-CD2 4.09Å; R45-Y69 HydrophobicContact CG-CE1 4.22Å; R45-Y69 HydrophobicContact CG-CE2 3.86Å; R45-Y69 HydrophobicContact CG-CG 4.33Å
46D94.9Very high84.7Confident115 Ų11578.4 Ų78.462%0.61545%0.453SS*.SBendtrans-78.3134.6-176.4-59.8-33.7000110.4N44 P48N44-D46 PolarHBondContact OD1-N 3.36Å; D46-P48 WeakPolarHBondContact O-CD 3.43Å
47C94.4Very high83.8Confident65 Ų6583.9 Ų83.944%0.43947%0.471SS..PPolyproline II helixtrans-67.9119.6173.3-178.20000109.7A89 C90C47-A89 WeakPolarHBondContact CB-O 3.05Å; C47-C90 WeakPolarHBondContact CA-SG 3.48Å; C47-C90 HydrophobicContact CB-CB 3.98Å; C47-C90 WeakPolarHBondContact CB-SG 3.39Å; C47-C90 WeakPolarHBondContact SG-CB 3.29Å; C47-C90 CovalentContact SG-SG 2.03Å; C47-C90 PolarHBondContact SG-SG 2.85Å
48P93Very high83Confident47 Ų4780.5 Ų80.531%0.30546%0.455SS..PPolyproline II helixtrans-70.7155.4177.429.5-32.2000110.4D46 E50 P67 L94D46-P48 WeakPolarHBondContact O-CD 3.43Å; P48-E50 VanDerWaalsContact C-N 3.33Å; P48-P67 HydrophobicContact CG-CG 3.85Å; P48-L94 HydrophobicContact CG-CD1 3.72Å; P48-L94 WeakPolarHBondContact O-CD2 3.12Å
49T89Confident82.6Confident142 Ų14282.3 Ų82.387%0.87145%0.451SS*.SBendtrans-77.3-21.9179.542.20000113.4
50E86.6Confident82.4Confident148 Ų14886.7 Ų86.769%0.69247%0.472SS*.SBendtrans-147160.5-177.359.8-172.917300110.7P48P48-E50 VanDerWaalsContact C-N 3.33Å
51V84.8Confident82.5Confident41 Ų4183 Ų8325%0.24845%0.452CS..  trans-76.5133.1-179.9-177.30000109.4T53 I65 L94V51-T53 PolarHBondContact O-N 2.88Å; V51-I65 HydrophobicContact CG2-CG2 3.97Å; V51-L94 HydrophobicContact CG2-CB 3.56Å; V51-L94 HydrophobicContact CG2-CD1 4.13Å
52T80.2Confident82.6Confident58 Ų5883.8 Ų83.836%0.35646%0.457SS..  trans-65.7115.9175.7-360000110.2S54 V58 D62T52-S54 WeakPolarHBondContact CG2-OG 3.21Å; T52-V58 HydrophobicContact CG2-CG1 4.37Å; T52-D62 WeakPolarHBondContact CB-O 3.46Å; T52-D62 PolarHBondContact OG1-O 3.21Å
53T70.3Confident82.6Confident140 Ų14085 Ų8586%0.85946%0.459SS*.  trans-92.9-1.9-177.550.10000114.1V51V51-T53 PolarHBondContact O-N 2.88Å
54S66.1Low82.8Confident44 Ų4484.8 Ų84.831%0.30845%0.454SS..  trans-56.8144.117247.60000110.4T52 V58 R63T52-S54 WeakPolarHBondContact CG2-OG 3.21Å; S54-V58 WeakPolarHBondContact OG-CB 3.45Å; S54-V58 WeakPolarHBondContact OG-CG2 3.37Å; S54-R63 WeakPolarHBondContact O-CD 3.3Å
55G62.7Low82.9Confident43 Ų4382.9 Ų82.944%0.44344%0.444SS..  trans-64.3-156.4-174.200000114.6E57 V58 R63G55-E57 PolarHBondContact O-N 2.97Å; G55-V58 PolarHBondContact O-N 3.19Å; G55-R63 WeakPolarHBondContact O-CD 3.42Å
56H66.4Low83Confident173 Ų17377.1 Ų77.180%0.80142%0.422SS*.THydrogen-bonded Turntrans-63.2-2.8-178.1-69.3-87.9000115.2V58H56-V58 PolarHBondContact O-N 2.93Å
57E67Low83Confident188 Ų18871.9 Ų71.988%0.87939%0.394SS*.THydrogen-bonded Turntrans-71-17173.8-61.9-178.3172.900112.9G55G55-E57 PolarHBondContact O-N 2.97Å
58V72.1Confident83Confident38 Ų3869.6 Ų69.623%0.2338%0.376CS..SBendtrans-109140.7178.8176.70000110.7T52 S54 G55 H56 D62 R63T52-V58 HydrophobicContact CG2-CG1 4.37Å; S54-V58 WeakPolarHBondContact OG-CB 3.45Å; S54-V58 WeakPolarHBondContact OG-CG2 3.37Å; G55-V58 PolarHBondContact O-N 3.19Å; H56-V58 PolarHBondContact O-N 2.93Å; V58-D62 HydrophobicContact CG1-CB 3.44Å; V58-D62 VanDerWaalsContact CG1-CB 3.44Å; V58-R63 HydrophobicContact CB-CG 4.11Å; V58-R63 HydrophobicContact CG1-CG 3.91Å; V58-R63 PolarHBondContact O-NE 2.81Å
59Y82.7Confident83.1Confident70 Ų7068.3 Ų68.328%0.27537%0.365SS..  trans-60.4155.3-172.6-60.6-64.7000112.9D23 N24 H42 S61 D62 R63D23-Y59 HydrophobicContact CB-CD1 3.29Å; D23-Y59 HydrophobicContact CB-CD2 3.97Å; D23-Y59 HydrophobicContact CB-CE1 3.58Å; D23-Y59 HydrophobicContact CB-CE2 4.22Å; D23-Y59 HydrophobicContact CB-CG 3.5Å; D23-Y59 VanDerWaalsContact CB-CG 3.5Å; D23-Y59 VanDerWaalsContact CG-CB 3.47Å; D23-Y59 VanDerWaalsContact CG-CD1 3.45Å; D23-Y59 PolarHBondContact O-OH 3.24Å; D23-Y59 WeakPolarHBondContact OD1-CD1 3.28Å; N24-Y59 WeakPolarHBondContact ND2-CE1 3.3Å; N24-Y59 PolarHBondContact ND2-OH 3.1Å; H42-Y59 AromaticContact CE1-CE2 3.55Å; H42-Y59 AromaticContact NE2-CD2 3.34Å; H42-Y59 VanDerWaalsContact NE2-CD2 3.34Å; H42-Y59 WeakPolarHBondContact NE2-CD2 3.18Å; H42-Y59 AromaticContact NE2-CE2 3.28Å; H42-Y59 VanDerWaalsContact NE2-CE2 3.28Å; H42-Y59 WeakPolarHBondContact NE2-CE2 3.46Å; Y59-S61 WeakPolarHBondContact CB-OG 3.28Å; Y59-S61 PolarHBondContact O-N 2.81Å; Y59-D62 PolarHBondContact O-N 2.76Å; Y59-R63 PolarHBondContact O-N 3.31Å; Y59-R63 VanDerWaalsContact O-N 3.16Å
60L86.2Confident83.2Confident112 Ų11262 Ų6259%0.58633%0.326SS*.Hα-helixtrans-60.3-37.6179.8-179.664.9000111.4D62 R63 S64 W68L60-D62 VanDerWaalsContact C-N 3.32Å; L60-D62 PolarHBondContact O-N 2.85Å; L60-R63 PolarHBondContact O-N 3.4Å; L60-S64 WeakPolarHBondContact O-CB 3.24Å; L60-S64 PolarHBondContact O-N 2.76Å; L60-W68 HydrophobicContact CD2-CH2 4.08Å; L60-W68 HydrophobicContact CD2-CZ2 4.48Å; L60-W68 HydrophobicContact CG-CH2 3.89Å; L60-W68 HydrophobicContact CG-CZ2 4.41Å
61S90Very high83.5Confident0 Ų057.5 Ų57.50%030%0.304CS..Hα-helixtrans-54.5-44.7175.245.30000112.5D23 Y59 P67 W68D23-S61 PolarHBondContact OD2-OG 3.07Å; Y59-S61 WeakPolarHBondContact CB-OG 3.28Å; Y59-S61 PolarHBondContact O-N 2.81Å; S61-P67 WeakPolarHBondContact O-CA 3.28Å; S61-P67 VanDerWaalsContact O-CB 3.29Å; S61-P67 WeakPolarHBondContact O-CB 3.46Å; S61-W68 WeakPolarHBondContact CB-O 3.46Å
62D87.4Confident83.6Confident45 Ų4555.8 Ų55.824%0.24129%0.293CS..Hα-helixtrans-80.6-23.6-177.8-65.3-39.3000113.9T52 V58 Y59 L60T52-D62 WeakPolarHBondContact CB-O 3.46Å; T52-D62 PolarHBondContact OG1-O 3.21Å; V58-D62 HydrophobicContact CG1-CB 3.44Å; V58-D62 VanDerWaalsContact CG1-CB 3.44Å; Y59-D62 PolarHBondContact O-N 2.76Å; L60-D62 VanDerWaalsContact C-N 3.32Å; L60-D62 PolarHBondContact O-N 2.85Å
63R88.5Confident84.1Confident74 Ų7453.9 Ų53.928%0.27928%0.281SS..Hα-helixtrans-95.7-4.4178.6-60.8-170.4-61.8128.82.9113.6S54 G55 V58 Y59 L60S54-R63 WeakPolarHBondContact O-CD 3.3Å; G55-R63 WeakPolarHBondContact O-CD 3.42Å; V58-R63 HydrophobicContact CB-CG 4.11Å; V58-R63 HydrophobicContact CG1-CG 3.91Å; V58-R63 PolarHBondContact O-NE 2.81Å; Y59-R63 PolarHBondContact O-N 3.31Å; Y59-R63 VanDerWaalsContact O-N 3.16Å; L60-R63 PolarHBondContact O-N 3.4Å
64S91.4Very high85Confident21 Ų2150 Ų5015%0.14725%0.251CS..SBendtrans-69.3143.7175.4179.10000110.6L60 C66 P67L60-S64 WeakPolarHBondContact O-CB 3.24Å; L60-S64 PolarHBondContact O-N 2.76Å; S64-C66 WeakPolarHBondContact CB-O 3.34Å; S64-C66 PolarHBondContact O-N 2.68Å; S64-C66 VanDerWaalsContact OG-C 3.24Å; S64-C66 PolarHBondContact OG-N 2.96Å; S64-C66 PolarHBondContact OG-O 2.74Å; S64-P67 WeakPolarHBondContact O-CD 3.49Å
65I94.1Very high86.1Confident55 Ų5549.5 Ų49.528%0.28225%0.245SC..SBendtrans-67.8-16.6168.161.7170.6000112.4V51 A93 L94 L95 P135V51-I65 HydrophobicContact CG2-CG2 3.97Å; I65-A93 CarbonylContact O-C 3.55Å; I65-A93 WeakPolarHBondContact O-CA 3.39Å; I65-L94 PolarHBondContact O-N 2.69Å; I65-L95 HydrophobicContact CD1-CD1 4.02Å; I65-L95 HydrophobicContact CD1-CD2 4.27Å; I65-L95 HydrophobicContact CD1-CG 4.2Å; I65-P135 HydrophobicContact CD1-CB 3.92Å; I65-P135 HydrophobicContact CD1-CG 3.54Å; I65-P135 HydrophobicContact CG1-CB 4.4Å; I65-P135 HydrophobicContact CG1-CG 4Å
66C95.2Very high87.2Confident0 Ų051.6 Ų51.60%025%0.25CS..SBendtrans-11981.1166.1-79.50000107.8S64 C103 C133 P135S64-C66 WeakPolarHBondContact CB-O 3.34Å; S64-C66 PolarHBondContact O-N 2.68Å; S64-C66 VanDerWaalsContact OG-C 3.24Å; S64-C66 PolarHBondContact OG-N 2.96Å; S64-C66 PolarHBondContact OG-O 2.74Å; C66-C103 WeakPolarHBondContact CA-SG 3.29Å; C66-C103 HydrophobicContact CB-CB 3.7Å; C66-C103 WeakPolarHBondContact CB-SG 3.25Å; C66-C103 WeakPolarHBondContact SG-CA 3.29Å; C66-C103 WeakPolarHBondContact SG-CB 3.17Å; C66-C103 CovalentContact SG-SG 2.04Å; C66-C103 PolarHBondContact SG-SG 2.03Å; C66-C133 HydrophobicContact CB-CB 4.06Å; C66-P135 VanDerWaalsContact SG-N 3.45Å
67P95Very high88.3Confident6 Ų646.1 Ų46.14%0.03923%0.227CC..  trans-66.7150.7-176.626.8-32.6000111.2P48 S61 S64 A89 L94P48-P67 HydrophobicContact CG-CG 3.85Å; S61-P67 WeakPolarHBondContact O-CA 3.28Å; S61-P67 VanDerWaalsContact O-CB 3.29Å; S61-P67 WeakPolarHBondContact O-CB 3.46Å; S64-P67 WeakPolarHBondContact O-CD 3.49Å; P67-A89 HydrophobicContact CG-CB 4.4Å; P67-A89 PolarHBondContact O-N 2.85Å; P67-L94 HydrophobicContact CG-CD1 3.86Å
68W95.1Very high89.4Confident16 Ų1637.4 Ų37.46%0.06119%0.186CC..EExtended strand (participates in β ladder)trans-137159.9178.267.787.4000111L60 S61 W70 A86 T87 A132 C133L60-W68 HydrophobicContact CD2-CH2 4.08Å; L60-W68 HydrophobicContact CD2-CZ2 4.48Å; L60-W68 HydrophobicContact CG-CH2 3.89Å; L60-W68 HydrophobicContact CG-CZ2 4.41Å; S61-W68 WeakPolarHBondContact CB-O 3.46Å; W68-W70 AromaticContact NE1-CE2 3.53Å; W68-W70 AromaticContact NE1-CZ2 3.43Å; W68-W70 AromaticContact NE1-NE1 3.77Å; W68-A86 HydrophobicContact CB-CB 4.39Å; W68-A86 VanDerWaalsContact CD1-CB 3.5Å; W68-A86 HydrophobicContact CG-CB 3.97Å; W68-T87 CarbonylContact C-O 3.48Å; W68-T87 WeakPolarHBondContact CA-O 3.41Å; W68-T87 VanDerWaalsContact CB-O 3.24Å; W68-T87 WeakPolarHBondContact CB-O 3.36Å; W68-A132 HydrophobicContact CD2-CB 4.46Å; W68-A132 HydrophobicContact CE3-CB 4.37Å; W68-A132 HydrophobicContact CH2-CB 3.88Å; W68-A132 HydrophobicContact CZ2-CB 3.98Å; W68-A132 HydrophobicContact CZ3-CB 4.08Å; W68-C133 HydrophobicContact CB-CB 4.2Å; W68-C133 HydrophobicContact CE3-CB 4.08Å; W68-C133 VanDerWaalsContact CE3-N 3.34Å
69Y93.7Very high90.2Very high20 Ų2037.6 Ų37.68%0.07819%0.185CC..EExtended strand (participates in β ladder)trans-121.7161.8171.461.6-86.5000109.8L40 H42 N44 R45 K71 A86 T87 A89L40-Y69 HydrophobicContact CD1-CD2 3.53Å; L40-Y69 HydrophobicContact CD1-CE2 4.28Å; L40-Y69 HydrophobicContact CD1-CG 4.25Å; H42-Y69 WeakPolarHBondContact O-CB 3.5Å; N44-Y69 WeakPolarHBondContact O-CB 3.5Å; N44-Y69 WeakPolarHBondContact O-CD1 3.42Å; R45-Y69 HydrophobicContact CB-CE1 4.3Å; R45-Y69 HydrophobicContact CG-CD1 4.38Å; R45-Y69 HydrophobicContact CG-CD2 4.09Å; R45-Y69 HydrophobicContact CG-CE1 4.22Å; R45-Y69 HydrophobicContact CG-CE2 3.86Å; R45-Y69 HydrophobicContact CG-CG 4.33Å; Y69-K71 HydrophobicContact CD2-CD 4.47Å; Y69-K71 HydrophobicContact CD2-CG 4.14Å; Y69-K71 HydrophobicContact CE2-CD 3.59Å; Y69-K71 HydrophobicContact CE2-CG 3.69Å; Y69-K71 PolarHBondContact OH-NZ 2.82Å; Y69-A86 CarbonylContact O-C 3.55Å; Y69-A86 WeakPolarHBondContact O-CA 3.37Å; Y69-T87 VanDerWaalsContact CD1-O 3.3Å; Y69-T87 WeakPolarHBondContact CD1-O 3.29Å; Y69-T87 HydrophobicContact CE1-CG2 3.97Å; Y69-T87 WeakPolarHBondContact CE1-O 3.48Å; Y69-T87 HydrophobicContact CE2-CG2 4.35Å; Y69-T87 PolarHBondContact N-O 3.21Å; Y69-T87 PolarHBondContact O-N 3.31Å; Y69-T87 WeakPolarHBondContact OH-CG2 3.34Å; Y69-A89 HydrophobicContact CD1-CB 4.25Å
70W91.9Very high90.3Very high11 Ų1136.7 Ų36.74%0.04219%0.188CC..EExtended strand (participates in β ladder)trans-98.3124.6-175.8-64.6103.6000110.3L20 P22 D23 L41 H42 W68 P84 A86 V131L20-W70 HydrophobicContact CB-CH2 4.25Å; L20-W70 HydrophobicContact CB-CZ3 4.28Å; L20-W70 HydrophobicContact CD1-CH2 4.46Å; L20-W70 HydrophobicContact CD1-CZ3 4.1Å; L20-W70 HydrophobicContact CD2-CH2 4.41Å; P22-W70 HydrophobicContact CB-CB 3.88Å; P22-W70 HydrophobicContact CB-CD2 3.5Å; P22-W70 HydrophobicContact CB-CE3 4.06Å; P22-W70 HydrophobicContact CB-CG 3.4Å; P22-W70 HydrophobicContact CB-CZ2 4.48Å; D23-W70 PolarHBondContact OD2-NE1 3.37Å; L41-W70 HydrophobicContact CB-CB 4.06Å; L41-W70 WeakPolarHBondContact CB-O 3.36Å; L41-W70 PolarHBondContact N-O 2.94Å; H42-W70 HydrophobicContact CB-CB 4.33Å; H42-W70 PolarHBondContact N-O 3.38Å; H42-W70 PolarHBondContact O-N 2.67Å; W68-W70 AromaticContact NE1-CE2 3.53Å; W68-W70 AromaticContact NE1-CZ2 3.43Å; W68-W70 AromaticContact NE1-NE1 3.77Å; W70-P84 HydrophobicContact CE3-CB 3.83Å; W70-P84 HydrophobicContact CZ3-CB 4.13Å; W70-A86 HydrophobicContact CE3-CB 4.22Å; W70-A86 HydrophobicContact CH2-CB 4.38Å; W70-A86 HydrophobicContact CZ3-CB 4.01Å; W70-V131 VanDerWaalsContact CH2-O 3.29Å; W70-V131 WeakPolarHBondContact CH2-O 3.39Å
71K91.6Very high90.3Very high53 Ų5333.4 Ų33.423%0.2317%0.174CC..EExtended strand (participates in β ladder)trans-108.5152.2170.5-87.6168.2159.1158.10110.9A39 Y69 Q85A39-K71 CarbonylContact O-C 3.5Å; A39-K71 VanDerWaalsContact O-CA 3.24Å; A39-K71 WeakPolarHBondContact O-CA 3.22Å; Y69-K71 HydrophobicContact CD2-CD 4.47Å; Y69-K71 HydrophobicContact CD2-CG 4.14Å; Y69-K71 HydrophobicContact CE2-CD 3.59Å; Y69-K71 HydrophobicContact CE2-CG 3.69Å; Y69-K71 PolarHBondContact OH-NZ 2.82Å; K71-Q85 PolarHBondContact N-O 2.82Å; K71-Q85 PolarHBondContact O-N 3.07Å
72M88.1Confident90.1Very high5 Ų534.6 Ų34.63%0.02518%0.18CC..EExtended strand (participates in β ladder)trans-78.4121.8172.8-167.6-175.9-68.800109.7L30 L35 N37 G38 A39 L41 Y74 I82L30-M72 HydrophobicContact CD1-CE 3.6Å; L35-M72 HydrophobicContact CB-SD 4.45Å; L35-M72 HydrophobicContact CD2-CE 3.9Å; L35-M72 HydrophobicContact CD2-SD 4.07Å; N37-M72 PolarHBondContact OD1-O 2.82Å; G38-M72 WeakPolarHBondContact CA-O 3.4Å; G38-M72 PolarHBondContact N-O 2.77Å; A39-M72 HydrophobicContact CB-CB 3.95Å; A39-M72 HydrophobicContact CB-CE 4.34Å; A39-M72 PolarHBondContact O-N 3.09Å; L41-M72 HydrophobicContact CD1-CB 4.16Å; L41-M72 HydrophobicContact CD2-CB 4.03Å; L41-M72 HydrophobicContact CD2-CE 3.58Å; L41-M72 HydrophobicContact CD2-CG 4.4Å; L41-M72 HydrophobicContact CG-CB 3.96Å; M72-Y74 HydrophobicContact SD-CG 4.39Å; M72-I82 HydrophobicContact CG-CG2 3.81Å; M72-I82 HydrophobicContact SD-CG2 4.43Å
73N90.5Very high90.2Very high17 Ų1733 Ų339%0.09117%0.172CC..EExtended strand (participates in β ladder)trans-97.898.1161.9177.6-38.6000107.3N37 R78 L83 Q85 E127N37-N73 VanDerWaalsContact OD1-CA 3.3Å; N37-N73 WeakPolarHBondContact OD1-CA 3.4Å; N73-R78 PolarHBondContact O-NH2 2.85Å; N73-R78 VanDerWaalsContact OD1-CZ 3.28Å; N73-R78 PolarHBondContact OD1-NH1 2.74Å; N73-R78 PolarHBondContact OD1-NH2 3.09Å; N73-L83 WeakPolarHBondContact CA-O 3.4Å; N73-L83 HydrophobicContact CB-CB 4.15Å; N73-L83 VanDerWaalsContact CB-O 3.24Å; N73-L83 WeakPolarHBondContact CB-O 3.24Å; N73-L83 PolarHBondContact N-O 3.09Å; N73-L83 PolarHBondContact O-N 2.87Å; N73-Q85 HydrophobicContact CB-CB 4.21Å; N73-Q85 PolarHBondContact ND2-OE1 3.43Å; N73-E127 PolarHBondContact ND2-OE1 2.97Å
74Y88.1Confident90.2Very high58 Ų5829.8 Ų29.823%0.22716%0.16CC..EExtended strand (participates in β ladder)trans-109.2127.1-175.9179.3-118.3000111.4L35 N37 M72 P76 S81 I82L35-Y74 HydrophobicContact CB-CD1 4.18Å; L35-Y74 HydrophobicContact CB-CD2 4.31Å; L35-Y74 HydrophobicContact CB-CE1 3.92Å; L35-Y74 HydrophobicContact CB-CE2 4.05Å; L35-Y74 HydrophobicContact CB-CG 4.36Å; L35-Y74 HydrophobicContact CD1-CE2 3.9Å; L35-Y74 WeakPolarHBondContact O-CD1 3.37Å; N37-Y74 PolarHBondContact OD1-N 2.85Å; M72-Y74 HydrophobicContact SD-CG 4.39Å; Y74-P76 HydrophobicContact CE1-CB 4.26Å; Y74-P76 HydrophobicContact CE1-CG 4.32Å; Y74-S81 WeakPolarHBondContact CA-O 3.44Å; Y74-S81 WeakPolarHBondContact CD2-O 3.46Å; Y74-I82 HydrophobicContact CD2-CG1 3.71Å; Y74-I82 HydrophobicContact CE2-CG1 4.18Å
75D89.4Confident90.2Very high34 Ų3431.4 Ų31.418%0.18217%0.166CC..  trans-138106173.7-179.5-9.6000108L77 R78 S81 R114D75-L77 PolarHBondContact O-N 2.99Å; D75-L77 WeakPolarHBondContact OD1-CA 3.5Å; D75-L77 PolarHBondContact OD1-N 3.48Å; D75-R78 HydrophobicContact CB-CB 3.71Å; D75-R78 PolarHBondContact O-N 3Å; D75-R78 VanDerWaalsContact O-N 3.1Å; D75-S81 PolarHBondContact N-O 2.81Å; D75-S81 VanDerWaalsContact O-CA 3.29Å; D75-S81 WeakPolarHBondContact O-CA 3.24Å; D75-S81 WeakPolarHBondContact O-CB 3.33Å; D75-R114 IonicContact OD2-CZ 3.99Å; D75-R114 IonicContact OD2-NE 3.38Å; D75-R114 PolarHBondContact OD2-NE 3.02Å; D75-R114 IonicContact OD2-NH2 3.64Å
76P86.6Confident90.2Very high87 Ų8728.8 Ų28.857%0.56515%0.152SC*.THydrogen-bonded Turntrans-65.6-18.1-178.726.5-33.8000112.9Y74 R78Y74-P76 HydrophobicContact CE1-CB 4.26Å; Y74-P76 HydrophobicContact CE1-CG 4.32Å; P76-R78 VanDerWaalsContact C-N 3.32Å
77L90.2Very high90.3Very high59 Ų5930.1 Ų30.131%0.30916%0.161SC..THydrogen-bonded Turntrans-9514.4178.2-58.8178.6000111.7D75 R114 F115D75-L77 PolarHBondContact O-N 2.99Å; D75-L77 WeakPolarHBondContact OD1-CA 3.5Å; D75-L77 PolarHBondContact OD1-N 3.48Å; L77-R114 CarbonylContact O-C 3.34Å; L77-R114 WeakPolarHBondContact O-CA 3.3Å; L77-F115 PolarHBondContact O-N 2.9Å
78R89.6Confident90.4Very high5 Ų530.8 Ų30.82%0.01917%0.165CC..EExtended strand (participates in β ladder)trans-124.3150.3-178.9-170.3-177.868.4-155.8-11.4112N73 D75 P76 P80 S81 V112 L113 R114 E127N73-R78 PolarHBondContact O-NH2 2.85Å; N73-R78 VanDerWaalsContact OD1-CZ 3.28Å; N73-R78 PolarHBondContact OD1-NH1 2.74Å; N73-R78 PolarHBondContact OD1-NH2 3.09Å; D75-R78 HydrophobicContact CB-CB 3.71Å; D75-R78 PolarHBondContact O-N 3Å; D75-R78 VanDerWaalsContact O-N 3.1Å; P76-R78 VanDerWaalsContact C-N 3.32Å; R78-P80 PolarHBondContact NE-O 3.04Å; R78-P80 CarbonylContact O-C 3.47Å; R78-S81 PolarHBondContact NH2-O 3.33Å; R78-S81 WeakPolarHBondContact O-CA 3.18Å; R78-S81 WeakPolarHBondContact O-CB 3.47Å; R78-S81 PolarHBondContact O-N 2.9Å; R78-S81 VanDerWaalsContact O-N 3.07Å; R78-V112 HydrophobicContact CG-CB 3.73Å; R78-V112 HydrophobicContact CG-CG1 4.27Å; R78-V112 HydrophobicContact CG-CG2 3.94Å; R78-L113 CarbonylContact C-O 3.56Å; R78-L113 WeakPolarHBondContact CA-O 3.47Å; R78-L113 WeakPolarHBondContact CG-O 3.38Å; R78-R114 HydrophobicContact CB-CG 4.27Å; R78-R114 HydrophobicContact CG-CG 4.06Å; R78-E127 VanDerWaalsContact NH1-CD 3.32Å; R78-E127 IonicContact NH1-OE1 3Å; R78-E127 PolarHBondContact NH1-OE1 2.89Å; R78-E127 IonicContact NH1-OE2 3.92Å
79I88.4Confident90.4Very high42 Ų4230.9 Ų30.922%0.21517%0.169CC..EExtended strand (participates in β ladder)trans-116.8125.3163.6-64172.1000109.4L4 M8 V112 L113 F115L4-I79 HydrophobicContact CD2-CD1 4.11Å; M8-I79 HydrophobicContact CE-CD1 4.26Å; M8-I79 HydrophobicContact SD-CD1 3.84Å; M8-I79 HydrophobicContact SD-CG1 4.15Å; M8-I79 HydrophobicContact SD-CG2 3.82Å; I79-V112 WeakPolarHBondContact O-CA 3.46Å; I79-V112 WeakPolarHBondContact O-CB 3.14Å; I79-L113 HydrophobicContact CB-CB 4.29Å; I79-L113 PolarHBondContact N-O 3.17Å; I79-L113 PolarHBondContact O-N 2.83Å; I79-L113 VanDerWaalsContact O-N 3.09Å; I79-F115 HydrophobicContact CD1-CE2 3.54Å; I79-F115 HydrophobicContact CD1-CZ 3.82Å; I79-F115 HydrophobicContact CG1-CE2 3.84Å
80P86.2Confident90.5Very high51 Ų5130.1 Ų30.133%0.33117%0.167SC..SBendcis-67.2146.8-1031.2-35.5000110.9R78 L83R78-P80 PolarHBondContact NE-O 3.04Å; R78-P80 CarbonylContact O-C 3.47Å; P80-L83 HydrophobicContact CG-CD2 3.44Å; P80-L83 VanDerWaalsContact CG-CD2 3.44Å; P80-L83 HydrophobicContact CG-CG 4Å
81S85.9Confident90.6Very high42 Ų4236.4 Ų36.429%0.29420%0.201SC..SBendtrans-71.9-35.8-178.553.10000111.2Y74 D75 R78Y74-S81 WeakPolarHBondContact CA-O 3.44Å; Y74-S81 WeakPolarHBondContact CD2-O 3.46Å; D75-S81 PolarHBondContact N-O 2.81Å; D75-S81 VanDerWaalsContact O-CA 3.29Å; D75-S81 WeakPolarHBondContact O-CA 3.24Å; D75-S81 WeakPolarHBondContact O-CB 3.33Å; R78-S81 PolarHBondContact NH2-O 3.33Å; R78-S81 WeakPolarHBondContact O-CA 3.18Å; R78-S81 WeakPolarHBondContact O-CB 3.47Å; R78-S81 PolarHBondContact O-N 2.9Å; R78-S81 VanDerWaalsContact O-N 3.07Å
82I86.1Confident90.6Very high25 Ų2540.8 Ų40.813%0.12822%0.216CC..EExtended strand (participates in β ladder)trans-108.7126.7177.9-52.5164.8000109.3L27 L35 M72 Y74L27-I82 HydrophobicContact CD1-CG2 4.04Å; L27-I82 HydrophobicContact CD2-CG2 4Å; L27-I82 HydrophobicContact CG-CG2 4.45Å; L35-I82 HydrophobicContact CD1-CD1 4.21Å; L35-I82 HydrophobicContact CD2-CD1 3.54Å; L35-I82 HydrophobicContact CD2-CG1 4.31Å; M72-I82 HydrophobicContact CG-CG2 3.81Å; M72-I82 HydrophobicContact SD-CG2 4.43Å; Y74-I82 HydrophobicContact CD2-CG1 3.71Å; Y74-I82 HydrophobicContact CE2-CG1 4.18Å
83L87.9Confident90.9Very high11 Ų1141.2 Ų41.26%0.05822%0.22CC..EExtended strand (participates in β ladder)trans-124.7128.3168.8-71.1172.1000108.7N73 P80 L110 V112 E127 I129N73-L83 WeakPolarHBondContact CA-O 3.4Å; N73-L83 HydrophobicContact CB-CB 4.15Å; N73-L83 VanDerWaalsContact CB-O 3.24Å; N73-L83 WeakPolarHBondContact CB-O 3.24Å; N73-L83 PolarHBondContact N-O 3.09Å; N73-L83 PolarHBondContact O-N 2.87Å; P80-L83 HydrophobicContact CG-CD2 3.44Å; P80-L83 VanDerWaalsContact CG-CD2 3.44Å; P80-L83 HydrophobicContact CG-CG 4Å; L83-L110 HydrophobicContact CD1-CD1 3.79Å; L83-L110 HydrophobicContact CD1-CD2 4.24Å; L83-L110 HydrophobicContact CD1-CG 4.48Å; L83-L110 HydrophobicContact CD2-CD1 3.65Å; L83-L110 HydrophobicContact CG-CD1 4.39Å; L83-V112 HydrophobicContact CD1-CG1 4.48Å; L83-E127 HydrophobicContact CD1-CB 4.45Å; L83-E127 HydrophobicContact CD1-CG 3.9Å; L83-I129 HydrophobicContact CB-CG2 4.4Å; L83-I129 HydrophobicContact CD1-CG2 3.99Å
84P88.8Confident91Very high7 Ų741.9 Ų41.95%0.04522%0.224CC..EExtended strand (participates in β ladder)trans-69.6139.9167.7-1933.2000110.9P22 L27 L41 W70P22-P84 HydrophobicContact CB-CB 4.31Å; P22-P84 HydrophobicContact CG-CB 3.54Å; P22-P84 HydrophobicContact CG-CG 3.48Å; P22-P84 VanDerWaalsContact CG-CG 3.48Å; L27-P84 HydrophobicContact CD1-CG 3.57Å; L27-P84 HydrophobicContact CD2-CG 4.24Å; L27-P84 HydrophobicContact CG-CG 4.34Å; L41-P84 HydrophobicContact CD1-CB 4.17Å; W70-P84 HydrophobicContact CE3-CB 3.83Å; W70-P84 HydrophobicContact CZ3-CB 4.13Å
85Q91.8Very high91.1Very high56 Ų5641.9 Ų41.926%0.26223%0.227SC..EExtended strand (participates in β ladder)trans-132120.4-179.9-173.7166.6-12.700110K71 N73 S130K71-Q85 PolarHBondContact N-O 2.82Å; K71-Q85 PolarHBondContact O-N 3.07Å; N73-Q85 HydrophobicContact CB-CB 4.21Å; N73-Q85 PolarHBondContact ND2-OE1 3.43Å; Q85-S130 WeakPolarHBondContact CA-O 3.49Å; Q85-S130 WeakPolarHBondContact CG-OG 3.02Å; Q85-S130 PolarHBondContact NE2-OG 2.85Å
86A94.2Very high90.9Very high0 Ų044.2 Ų44.20%024%0.244CC..EExtended strand (participates in β ladder)trans-69.9136.3175.700000110.3W68 Y69 W70 H105 S130 V131W68-A86 HydrophobicContact CB-CB 4.39Å; W68-A86 VanDerWaalsContact CD1-CB 3.5Å; W68-A86 HydrophobicContact CG-CB 3.97Å; Y69-A86 CarbonylContact O-C 3.55Å; Y69-A86 WeakPolarHBondContact O-CA 3.37Å; W70-A86 HydrophobicContact CE3-CB 4.22Å; W70-A86 HydrophobicContact CH2-CB 4.38Å; W70-A86 HydrophobicContact CZ3-CB 4.01Å; A86-H105 PolarHBondContact O-CD2 3.43Å; A86-S130 PolarHBondContact N-O 2.92Å; A86-S130 VanDerWaalsContact O-CB 3.24Å; A86-S130 WeakPolarHBondContact O-CB 3.4Å; A86-S130 PolarHBondContact O-OG 3.03Å; A86-V131 VanDerWaalsContact CB-C 3.48Å
87T96.5Very high90.6Very high28 Ų2850.4 Ų50.417%0.17226%0.263CS..EExtended strand (participates in β ladder)trans-128.9129.7172.3-55.80000109W68 Y69 A89 H105W68-T87 CarbonylContact C-O 3.48Å; W68-T87 WeakPolarHBondContact CA-O 3.41Å; W68-T87 VanDerWaalsContact CB-O 3.24Å; W68-T87 WeakPolarHBondContact CB-O 3.36Å; Y69-T87 VanDerWaalsContact CD1-O 3.3Å; Y69-T87 WeakPolarHBondContact CD1-O 3.29Å; Y69-T87 HydrophobicContact CE1-CG2 3.97Å; Y69-T87 WeakPolarHBondContact CE1-O 3.48Å; Y69-T87 HydrophobicContact CE2-CG2 4.35Å; Y69-T87 PolarHBondContact N-O 3.21Å; Y69-T87 PolarHBondContact O-N 3.31Å; Y69-T87 WeakPolarHBondContact OH-CG2 3.34Å; T87-A89 PolarHBondContact O-N 2.82Å; T87-H105 WeakPolarHBondContact CA-NE2 3.27Å
88C97.1Very high90.3Very high20 Ų2053.9 Ų53.914%0.13529%0.286CS..EExtended strand (participates in β ladder)trans-63135.5-179.6-47.40000110C103 H105 C133C88-C103 HydrophobicContact CB-CB 4.4Å; C88-H105 PolarHBondContact N-NE2 2.55Å; C88-H105 VanDerWaalsContact N-NE2 3.19Å; C88-C133 WeakPolarHBondContact CA-SG 3.03Å; C88-C133 HydrophobicContact CB-CB 3.95Å; C88-C133 WeakPolarHBondContact CB-SG 3.45Å; C88-C133 PolarHBondContact N-SG 2.84Å; C88-C133 WeakPolarHBondContact SG-CB 3.1Å; C88-C133 CovalentContact SG-SG 2.03Å; C88-C133 PolarHBondContact SG-SG 2.93Å
89A96.6Very high89.9Confident18 Ų1857.2 Ų57.215%0.14930%0.304CS..SBendtrans-80.4-27.8174.100000111.4C47 P67 Y69 T87C47-A89 WeakPolarHBondContact CB-O 3.05Å; P67-A89 HydrophobicContact CG-CB 4.4Å; P67-A89 PolarHBondContact O-N 2.85Å; Y69-A89 HydrophobicContact CD1-CB 4.25Å; T87-A89 PolarHBondContact O-N 2.82Å
90C95.6Very high89.7Confident3 Ų357.4 Ų57.42%0.0231%0.309CS..  trans-119.5147.3-178.3-55.30000111C47 R92 C103C47-C90 WeakPolarHBondContact CA-SG 3.48Å; C47-C90 HydrophobicContact CB-CB 3.98Å; C47-C90 WeakPolarHBondContact CB-SG 3.39Å; C47-C90 WeakPolarHBondContact SG-CB 3.29Å; C47-C90 CovalentContact SG-SG 2.03Å; C47-C90 PolarHBondContact SG-SG 2.85Å; C90-R92 WeakPolarHBondContact CB-O 3.06Å; C90-C103 VanDerWaalsContact O-CB 3.26Å; C90-C103 WeakPolarHBondContact O-CB 3.44Å
91D93.6Very high90Very high144 Ų14456 Ų5677%0.7730%0.298SS*.SBendtrans-79.7-28.2169.8-62-31.4000112E102 C103D91-E102 WeakPolarHBondContact O-CA 3.04Å; D91-C103 PolarHBondContact O-N 2.88Å
92R92.5Very high90.4Very high145 Ų14557.5 Ų57.555%0.54730%0.3SS..BIsolated β-bridgetrans-122.2148.9-179.9-58.6-173.392.3170.57.3111.1C90 S100 F101 C103C90-R92 WeakPolarHBondContact CB-O 3.06Å; R92-S100 PolarHBondContact NH2-OG 3.44Å; R92-F101 WeakPolarHBondContact CA-O 3.02Å; R92-C103 PolarHBondContact O-SG 2.92Å
93A93.7Very high90.8Very high13 Ų1356.8 Ų56.811%0.10730%0.297CS..  trans-65.3144.7177.600000110.9I65 L95 F101 C103 P135I65-A93 CarbonylContact O-C 3.55Å; I65-A93 WeakPolarHBondContact O-CA 3.39Å; A93-L95 HydrophobicContact CB-CD1 3.99Å; A93-L95 HydrophobicContact CB-CG 4.14Å; A93-L95 PolarHBondContact O-N 3.18Å; A93-F101 HydrophobicContact CB-CB 3.86Å; A93-F101 PolarHBondContact N-O 2.91Å; A93-C103 VanDerWaalsContact CA-SG 3.53Å; A93-C103 PolarHBondContact N-SG 3.21Å; A93-C103 VanDerWaalsContact N-SG 3.36Å; A93-P135 HydrophobicContact CB-CB 4Å
94L93Very high91.2Very high31 Ų3160.8 Ų60.816%0.16232%0.316CS..SBendtrans-7565.9176.3-58.8174.5000110.6P48 V51 I65 P67P48-L94 HydrophobicContact CG-CD1 3.72Å; P48-L94 WeakPolarHBondContact O-CD2 3.12Å; V51-L94 HydrophobicContact CG2-CB 3.56Å; V51-L94 HydrophobicContact CG2-CD1 4.13Å; I65-L94 PolarHBondContact O-N 2.69Å; P67-L94 HydrophobicContact CG-CD1 3.86Å
95L88.8Confident91.5Very high58 Ų5864 Ų6430%0.30433%0.33SS..SBendtrans-122.2163.4-179.6-72.4174.6000109.7I65 A93 K97 L99 F101I65-L95 HydrophobicContact CD1-CD1 4.02Å; I65-L95 HydrophobicContact CD1-CD2 4.27Å; I65-L95 HydrophobicContact CD1-CG 4.2Å; A93-L95 HydrophobicContact CB-CD1 3.99Å; A93-L95 HydrophobicContact CB-CG 4.14Å; A93-L95 PolarHBondContact O-N 3.18Å; L95-K97 PolarHBondContact O-N 3.01Å; L95-L99 HydrophobicContact CB-CB 4.43Å; L95-L99 HydrophobicContact CD1-CD1 4.49Å; L95-F101 HydrophobicContact CD1-CB 4.4Å; L95-F101 HydrophobicContact CD1-CD2 3.89Å; L95-F101 HydrophobicContact CD1-CG 4.26Å
96P85.2Confident91.7Very high83 Ų8363.7 Ų63.754%0.53933%0.332SS..  trans-50.6137.6170.1-26.735.1000111T98 L99P96-T98 PolarHBondContact O-N 3.18Å; P96-L99 PolarHBondContact O-N 3.43Å
97K81.5Confident91.6Very high218 Ų21866.8 Ų66.895%0.94835%0.351SS*.THydrogen-bonded Turntrans-56.5-14.9-176-64.4-176.2178.8-179.50114.7L95 L99L95-K97 PolarHBondContact O-N 3.01Å; K97-L99 VanDerWaalsContact C-N 3.28Å
98T82.7Confident91.3Very high131 Ų13171 Ų7180%0.80436%0.364SS*.THydrogen-bonded Turntrans-71.8-19.9174.652.50000113.2P96P96-T98 PolarHBondContact O-N 3.18Å
99L82.6Confident90.9Very high75 Ų7573.3 Ų73.339%0.39338%0.381SS..SBendtrans-103.9119.6177.8-62.5177.2000109.4L95 P96 K97 F101L95-L99 HydrophobicContact CB-CB 4.43Å; L95-L99 HydrophobicContact CD1-CD1 4.49Å; P96-L99 PolarHBondContact O-N 3.43Å; K97-L99 VanDerWaalsContact C-N 3.28Å; L99-F101 HydrophobicContact CB-CD2 3.99Å; L99-F101 HydrophobicContact CB-CE2 4.02Å
100S84.4Confident90.4Very high46 Ų4673.4 Ų73.432%0.32238%0.379SS..  trans-97.197.9178.2-170.40000110.5R92R92-S100 PolarHBondContact NH2-OG 3.44Å
101F91.7Very high90Very high21 Ų2183.1 Ų83.19%0.09242%0.415CS..EExtended strand (participates in β ladder)trans-125.6131.9172.1-70.5-99.4000109.4R92 A93 L95 L99 P135 V136 R137 M152R92-F101 WeakPolarHBondContact CA-O 3.02Å; A93-F101 HydrophobicContact CB-CB 3.86Å; A93-F101 PolarHBondContact N-O 2.91Å; L95-F101 HydrophobicContact CD1-CB 4.4Å; L95-F101 HydrophobicContact CD1-CD2 3.89Å; L95-F101 HydrophobicContact CD1-CG 4.26Å; L99-F101 HydrophobicContact CB-CD2 3.99Å; L99-F101 HydrophobicContact CB-CE2 4.02Å; F101-P135 HydrophobicContact CB-CB 4.04Å; F101-P135 HydrophobicContact CD1-CB 4.11Å; F101-P135 HydrophobicContact CG-CB 4.38Å; F101-V136 CarbonylContact C-O 3.52Å; F101-V136 VanDerWaalsContact CA-O 3.3Å; F101-V136 WeakPolarHBondContact CA-O 3.35Å; F101-R137 HydrophobicContact CD1-CB 3.92Å; F101-R137 HydrophobicContact CE1-CB 3.55Å; F101-R137 HydrophobicContact CE1-CG 4.12Å; F101-R137 HydrophobicContact CZ-CB 4.08Å; F101-R137 HydrophobicContact CZ-CG 4.16Å; F101-M152 HydrophobicContact CE1-SD 4.32Å; F101-M152 HydrophobicContact CE2-CE 4.26Å; F101-M152 HydrophobicContact CZ-CE 3.66Å; F101-M152 HydrophobicContact CZ-SD 3.86Å
102E93.5Very high89.7Confident75 Ų7576.4 Ų76.435%0.3538%0.379SS..EExtended strand (participates in β ladder)trans-94.7148.5174.1-63.3-176.8162.900108.9D91 P135 V136D91-E102 WeakPolarHBondContact O-CA 3.04Å; E102-P135 CarbonylContact O-C 3.49Å; E102-P135 WeakPolarHBondContact O-CA 3.19Å; E102-V136 HydrophobicContact CB-CG2 4.41Å; E102-V136 PolarHBondContact N-O 2.87Å; E102-V136 WeakPolarHBondContact O-CG2 3.43Å; E102-V136 PolarHBondContact O-N 2.03Å
103C95.6Very high89.7Confident10 Ų1071.7 Ų71.77%0.06837%0.365CS..EExtended strand (participates in β ladder)trans-92.4114.4176.6-68.70000109.6C66 C88 C90 D91 R92 A93C66-C103 WeakPolarHBondContact CA-SG 3.29Å; C66-C103 HydrophobicContact CB-CB 3.7Å; C66-C103 WeakPolarHBondContact CB-SG 3.25Å; C66-C103 WeakPolarHBondContact SG-CA 3.29Å; C66-C103 WeakPolarHBondContact SG-CB 3.17Å; C66-C103 CovalentContact SG-SG 2.04Å; C66-C103 PolarHBondContact SG-SG 2.03Å; C88-C103 HydrophobicContact CB-CB 4.4Å; C90-C103 VanDerWaalsContact O-CB 3.26Å; C90-C103 WeakPolarHBondContact O-CB 3.44Å; D91-C103 PolarHBondContact O-N 2.88Å; R92-C103 PolarHBondContact O-SG 2.92Å; A93-C103 VanDerWaalsContact CA-SG 3.53Å; A93-C103 PolarHBondContact N-SG 3.21Å; A93-C103 VanDerWaalsContact N-SG 3.36Å
104E96.1Very high89.7Confident94 Ų9473.9 Ų73.944%0.43937%0.37SS..EExtended strand (participates in β ladder)trans-113.3150.8179.6-78.1-62.8159.300112.1V106 C133 M134 V136E104-V106 PolarHBondContact O-N 2.88Å; E104-C133 CarbonylContact O-C 3.56Å; E104-C133 VanDerWaalsContact O-CA 3.31Å; E104-C133 WeakPolarHBondContact O-CA 3.39Å; E104-M134 PolarHBondContact N-O 3.19Å; E104-M134 PolarHBondContact O-N 2.81Å; E104-V136 HydrophobicContact CB-CG1 4.49Å; E104-V136 HydrophobicContact CB-CG2 3.64Å; E104-V136 HydrophobicContact CG-CG2 3.26Å
105H95.8Very high89.6Confident74 Ų7474.9 Ų74.934%0.34337%0.373SS..EExtended strand (participates in β ladder)trans-74.3125.9179.7-65.590.7000110.9A86 T87 C88 T107A86-H105 PolarHBondContact O-CD2 3.43Å; T87-H105 WeakPolarHBondContact CA-NE2 3.27Å; C88-H105 PolarHBondContact N-NE2 2.55Å; C88-H105 VanDerWaalsContact N-NE2 3.19Å; H105-T107 HydrophobicContact CB-CG2 4.36Å; H105-T107 PolarHBondContact O-N 2.79Å
106V94.4Very high89.8Confident50 Ų5074.4 Ų74.430%0.30337%0.371SS..EExtended strand (participates in β ladder)trans-78.7121.2166.3-176.30000107.8E104 S130 V131 A132 M134E104-V106 PolarHBondContact O-N 2.88Å; V106-S130 CarbonylContact O-C 3.56Å; V106-S130 VanDerWaalsContact O-CA 3.29Å; V106-S130 WeakPolarHBondContact O-CA 3.3Å; V106-V131 HydrophobicContact CB-CG2 4.15Å; V106-V131 HydrophobicContact CG1-CG2 3.92Å; V106-V131 PolarHBondContact O-N 2.87Å; V106-A132 HydrophobicContact CB-CB 4.25Å; V106-A132 HydrophobicContact CG2-CB 4.31Å; V106-A132 PolarHBondContact N-O 2.8Å; V106-M134 HydrophobicContact CG2-CB 3.88Å; V106-M134 HydrophobicContact CG2-CG 3.56Å; V106-M134 HydrophobicContact CG2-SD 3.64Å
107T93.1Very high90.1Very high66 Ų6674.9 Ų74.941%0.40538%0.382SS..EExtended strand (participates in β ladder)trans-111.2142.7-173.863.40000113.1H105 K128 I129H105-T107 HydrophobicContact CB-CG2 4.36Å; H105-T107 PolarHBondContact O-N 2.79Å; T107-K128 WeakPolarHBondContact OG1-CE 3.31Å; T107-I129 CarbonylContact C-O 3.58Å; T107-I129 VanDerWaalsContact CA-O 3.25Å; T107-I129 WeakPolarHBondContact CA-O 2.92Å
108Y89Confident90.5Very high115 Ų11569 Ų6945%0.45136%0.364SS..EExtended strand (participates in β ladder)trans-122.4138174.4-172.7-92.4000110.8L19 L110 K128 I129L19-Y108 HydrophobicContact CD1-CE1 4.31Å; L19-Y108 HydrophobicContact CD2-CD1 3.33Å; L19-Y108 HydrophobicContact CD2-CE1 3.27Å; L19-Y108 HydrophobicContact CD2-CG 4.16Å; L19-Y108 HydrophobicContact CG-CE1 4.38Å; Y108-L110 HydrophobicContact CD1-CB 4.12Å; Y108-L110 HydrophobicContact CD1-CD2 4.49Å; Y108-L110 HydrophobicContact CE1-CB 3.94Å; Y108-K128 WeakPolarHBondContact O-CA 3.36Å; Y108-I129 PolarHBondContact N-O 2.88Å; Y108-I129 PolarHBondContact O-N 2.8Å
109S89.3Confident90.7Very high70 Ų7065.6 Ų65.649%0.4935%0.345SS..EExtended strand (participates in β ladder)trans-101.9113.8177.3-67.40000109.8E127S109-E127 CarbonylContact C-O 3.55Å; S109-E127 WeakPolarHBondContact CA-O 3.41Å
110L85.8Confident91Very high19 Ų1967 Ų6710%0.09936%0.357CS..EExtended strand (participates in β ladder)trans-111.3151.8177.665.3149.7000111.6L83 Y108 V112 I126 E127 I129L83-L110 HydrophobicContact CD1-CD1 3.79Å; L83-L110 HydrophobicContact CD1-CD2 4.24Å; L83-L110 HydrophobicContact CD1-CG 4.48Å; L83-L110 HydrophobicContact CD2-CD1 3.65Å; L83-L110 HydrophobicContact CG-CD1 4.39Å; Y108-L110 HydrophobicContact CD1-CB 4.12Å; Y108-L110 HydrophobicContact CD1-CD2 4.49Å; Y108-L110 HydrophobicContact CE1-CB 3.94Å; L110-V112 HydrophobicContact CD1-CG1 3.78Å; L110-V112 HydrophobicContact CG-CG1 4.05Å; L110-I126 WeakPolarHBondContact O-CA 3.06Å; L110-E127 HydrophobicContact CD2-CB 4.11Å; L110-E127 VanDerWaalsContact CD2-O 3.27Å; L110-E127 WeakPolarHBondContact CD2-O 3.43Å; L110-E127 HydrophobicContact CG-CB 4.14Å; L110-E127 PolarHBondContact N-O 2.98Å; L110-E127 PolarHBondContact O-N 3.38Å; L110-I129 HydrophobicContact CD2-CB 4.35Å; L110-I129 HydrophobicContact CD2-CD1 3.6Å; L110-I129 HydrophobicContact CD2-CG1 3.58Å; L110-I129 HydrophobicContact CD2-CG2 3.98Å
111R87.6Confident91.4Very high207 Ų20773.8 Ų73.878%0.78138%0.376SS*.EExtended strand (participates in β ladder)trans-83.1129.6171.9-71.6177.5179.9-1781.1109.4A125 I126R111-A125 WeakPolarHBondContact CA-O 3.44Å; R111-I126 HydrophobicContact CG-CD1 3.62Å
112V88.2Confident91.5Very high3 Ų379.8 Ų79.82%0.01840%0.399CS..EExtended strand (participates in β ladder)trans-125.1155.1177.4-590000109.8R78 I79 L83 L110 R114 A125 E127R78-V112 HydrophobicContact CG-CB 3.73Å; R78-V112 HydrophobicContact CG-CG1 4.27Å; R78-V112 HydrophobicContact CG-CG2 3.94Å; I79-V112 WeakPolarHBondContact O-CA 3.46Å; I79-V112 WeakPolarHBondContact O-CB 3.14Å; L83-V112 HydrophobicContact CD1-CG1 4.48Å; L110-V112 HydrophobicContact CD1-CG1 3.78Å; L110-V112 HydrophobicContact CG-CG1 4.05Å; V112-R114 HydrophobicContact CG2-CG 4.35Å; V112-A125 HydrophobicContact CG2-CB 3.96Å; V112-A125 PolarHBondContact N-O 2.8Å; V112-A125 PolarHBondContact O-N 3.48Å; V112-E127 HydrophobicContact CG1-CB 3.68Å; V112-E127 HydrophobicContact CG2-CB 4.07Å
113L91.4Very high91.5Very high46 Ų4684.4 Ų84.424%0.24141%0.413CS..EExtended strand (participates in β ladder)trans-94.8130.3165.5-65.4171.9000108R78 I79 F115 Y122 Y124R78-L113 CarbonylContact C-O 3.56Å; R78-L113 WeakPolarHBondContact CA-O 3.47Å; R78-L113 WeakPolarHBondContact CG-O 3.38Å; I79-L113 HydrophobicContact CB-CB 4.29Å; I79-L113 PolarHBondContact N-O 3.17Å; I79-L113 PolarHBondContact O-N 2.83Å; I79-L113 VanDerWaalsContact O-N 3.09Å; L113-F115 HydrophobicContact CB-CE2 4.42Å; L113-Y122 HydrophobicContact CD2-CD2 3.84Å; L113-Y122 HydrophobicContact CD2-CE2 4.24Å; L113-Y124 HydrophobicContact CD2-CD1 3.6Å; L113-Y124 HydrophobicContact CD2-CE1 3.48Å; L113-Y124 VanDerWaalsContact CD2-CE1 3.48Å; L113-Y124 HydrophobicContact CD2-CG 4.22Å; L113-Y124 HydrophobicContact CG-CE1 4.5Å
114R93.1Very high91.3Very high59 Ų5992.4 Ų92.422%0.22344%0.443CS..EExtended strand (participates in β ladder)trans-116.8130.6172.5-82.4-173.6164114.5-2.8110.4D75 L77 R78 V112 Y122 R123 A125 E127D75-R114 IonicContact OD2-CZ 3.99Å; D75-R114 IonicContact OD2-NE 3.38Å; D75-R114 PolarHBondContact OD2-NE 3.02Å; D75-R114 IonicContact OD2-NH2 3.64Å; L77-R114 CarbonylContact O-C 3.34Å; L77-R114 WeakPolarHBondContact O-CA 3.3Å; R78-R114 HydrophobicContact CB-CG 4.27Å; R78-R114 HydrophobicContact CG-CG 4.06Å; V112-R114 HydrophobicContact CG2-CG 4.35Å; R114-Y122 CarbonylContact O-C 3.54Å; R114-Y122 WeakPolarHBondContact O-CA 3.05Å; R114-R123 HydrophobicContact CB-CG 4.42Å; R114-R123 PolarHBondContact N-O 3.47Å; R114-R123 PolarHBondContact O-N 2.88Å; R114-A125 HydrophobicContact CG-CB 4.46Å; R114-E127 IonicContact CZ-OE2 3.19Å; R114-E127 IonicContact NH1-OE2 2.9Å; R114-E127 PolarHBondContact NH1-OE2 3.35Å; R114-E127 IonicContact NH2-OE1 3.62Å; R114-E127 IonicContact NH2-OE2 2.67Å; R114-E127 PolarHBondContact NH2-OE2 3.16Å
115F92.5Very high91.1Very high52 Ų5288.8 Ų88.823%0.22843%0.429CS..EExtended strand (participates in β ladder)trans-91.4152.1176.9-66.6-96.2000110.2L77 I79 L113 R121 Y122L77-F115 PolarHBondContact O-N 2.9Å; I79-F115 HydrophobicContact CD1-CE2 3.54Å; I79-F115 HydrophobicContact CD1-CZ 3.82Å; I79-F115 HydrophobicContact CG1-CE2 3.84Å; L113-F115 HydrophobicContact CB-CE2 4.42Å; F115-R121 CarbonylContact C-O 3.58Å; F115-R121 VanDerWaalsContact CA-O 3.28Å; F115-R121 WeakPolarHBondContact CA-O 3.32Å; F115-Y122 HydrophobicContact CE1-CD1 4.43Å
116D92.5Very high90.8Very high49 Ų4990.1 Ų90.126%0.26244%0.438SS..  trans-69.3169.1165.265.128.5000111.3T118 C119 T120 R121D116-T118 VanDerWaalsContact CG-OG1 3.28Å; D116-T118 PolarHBondContact O-N 2.91Å; D116-T118 VanDerWaalsContact OD1-C 3.31Å; D116-T118 WeakPolarHBondContact OD1-CA 3.43Å; D116-T118 PolarHBondContact OD1-N 3.36Å; D116-T118 PolarHBondContact OD1-OG1 2.94Å; D116-T118 PolarHBondContact OD2-OG1 2.81Å; D116-C119 PolarHBondContact O-N 3.02Å; D116-C119 PolarHBondContact OD1-N 3.3Å; D116-T120 PolarHBondContact OD1-N 3.5Å; D116-T120 PolarHBondContact OD2-OG1 3.45Å; D116-R121 PolarHBondContact N-O 3.31Å; D116-R121 VanDerWaalsContact OD2-CB 3.23Å; D116-R121 WeakPolarHBondContact OD2-CB 3.44Å; D116-R121 WeakPolarHBondContact OD2-CG 2.98Å; D116-R121 PolarHBondContact OD2-N 2.04Å; D116-R121 VanDerWaalsContact OD2-N 3.11Å
117A90.8Very high90.7Very high92 Ų9289 Ų8976%0.7643%0.429SS*.THydrogen-bonded Turntrans-60.9-17-179.800000113.7
118T90.6Very high90.6Very high95 Ų9592.1 Ų92.158%0.58344%0.437SS*.THydrogen-bonded Turntrans-95.4-2.4178.166.10000113D116 T120D116-T118 VanDerWaalsContact CG-OG1 3.28Å; D116-T118 PolarHBondContact O-N 2.91Å; D116-T118 VanDerWaalsContact OD1-C 3.31Å; D116-T118 WeakPolarHBondContact OD1-CA 3.43Å; D116-T118 PolarHBondContact OD1-N 3.36Å; D116-T118 PolarHBondContact OD1-OG1 2.94Å; D116-T118 PolarHBondContact OD2-OG1 2.81Å; T118-T120 PolarHBondContact O-N 2.88Å; T118-T120 WeakPolarHBondContact OG1-CG2 3.26Å; T118-T120 PolarHBondContact OG1-OG1 2.89Å
119C85.6Confident90.8Very high59 Ų5986.8 Ų86.840%0.39942%0.416SS..SBendtrans54.924.6-172.4-62.20000114.4D116D116-C119 PolarHBondContact O-N 3.02Å; D116-C119 PolarHBondContact OD1-N 3.3Å
120T90Very high91Very high104 Ų10483.7 Ų83.764%0.63840%0.395SS*.SBendtrans-98.3-31.1-177.663.30000113D116 T118D116-T120 PolarHBondContact OD1-N 3.5Å; D116-T120 PolarHBondContact OD2-OG1 3.45Å; T118-T120 PolarHBondContact O-N 2.88Å; T118-T120 WeakPolarHBondContact OG1-CG2 3.26Å; T118-T120 PolarHBondContact OG1-OG1 2.89Å
121R93.1Very high91.3Very high190 Ų19084.2 Ų84.272%0.71740%0.398SS*.  trans-120.7150.2177.1-54.9177.9177-177.4-1110.3F115 D116F115-R121 CarbonylContact C-O 3.58Å; F115-R121 VanDerWaalsContact CA-O 3.28Å; F115-R121 WeakPolarHBondContact CA-O 3.32Å; D116-R121 PolarHBondContact N-O 3.31Å; D116-R121 VanDerWaalsContact OD2-CB 3.23Å; D116-R121 WeakPolarHBondContact OD2-CB 3.44Å; D116-R121 WeakPolarHBondContact OD2-CG 2.98Å; D116-R121 PolarHBondContact OD2-N 2.04Å; D116-R121 VanDerWaalsContact OD2-N 3.11Å
122Y93.1Very high91.6Very high147 Ų14775.3 Ų75.358%0.57637%0.369SS*.EExtended strand (participates in β ladder)trans-129.3155.8172.966-92.7000111.1L113 R114 F115L113-Y122 HydrophobicContact CD2-CD2 3.84Å; L113-Y122 HydrophobicContact CD2-CE2 4.24Å; R114-Y122 CarbonylContact O-C 3.54Å; R114-Y122 WeakPolarHBondContact O-CA 3.05Å; F115-Y122 HydrophobicContact CE1-CD1 4.43Å
123R94Very high92Very high171 Ų17175.4 Ų75.465%0.64537%0.37SS*.EExtended strand (participates in β ladder)trans-134.5151.9170.664.2176.2-179.3149.5-0.5110.7R114R114-R123 HydrophobicContact CB-CG 4.42Å; R114-R123 PolarHBondContact N-O 3.47Å; R114-R123 PolarHBondContact O-N 2.88Å
124Y91.9Very high92.2Very high179 Ų17977.4 Ų77.470%0.70238%0.379SS*.EExtended strand (participates in β ladder)trans-70.4137.4164-67-78.8000109.5L113L113-Y124 HydrophobicContact CD2-CD1 3.6Å; L113-Y124 HydrophobicContact CD2-CE1 3.48Å; L113-Y124 VanDerWaalsContact CD2-CE1 3.48Å; L113-Y124 HydrophobicContact CD2-CG 4.22Å; L113-Y124 HydrophobicContact CG-CE1 4.5Å
125A91.4Very high92.2Very high18 Ų1876.6 Ų76.615%0.14938%0.381CS..EExtended strand (participates in β ladder)trans-136.9161.3170.700000109.8R111 V112 R114R111-A125 WeakPolarHBondContact CA-O 3.44Å; V112-A125 HydrophobicContact CG2-CB 3.96Å; V112-A125 PolarHBondContact N-O 2.8Å; V112-A125 PolarHBondContact O-N 3.48Å; R114-A125 HydrophobicContact CG-CB 4.46Å
126I89.6Confident92.2Very high102 Ų10276.4 Ų76.452%0.52338%0.384SS..EExtended strand (participates in β ladder)trans-97.7127.5168.3-59.5-60.6000107.8L110 R111L110-I126 WeakPolarHBondContact O-CA 3.06Å; R111-I126 HydrophobicContact CG-CD1 3.62Å
127E91.1Very high91.8Very high27 Ų2779.7 Ų79.713%0.12639%0.393CS..EExtended strand (participates in β ladder)trans-105.4129.9168.4-168.869.1177.900108.6N73 R78 L83 S109 L110 V112 R114 I129N73-E127 PolarHBondContact ND2-OE1 2.97Å; R78-E127 VanDerWaalsContact NH1-CD 3.32Å; R78-E127 IonicContact NH1-OE1 3Å; R78-E127 PolarHBondContact NH1-OE1 2.89Å; R78-E127 IonicContact NH1-OE2 3.92Å; L83-E127 HydrophobicContact CD1-CB 4.45Å; L83-E127 HydrophobicContact CD1-CG 3.9Å; S109-E127 CarbonylContact C-O 3.55Å; S109-E127 WeakPolarHBondContact CA-O 3.41Å; L110-E127 HydrophobicContact CD2-CB 4.11Å; L110-E127 VanDerWaalsContact CD2-O 3.27Å; L110-E127 WeakPolarHBondContact CD2-O 3.43Å; L110-E127 HydrophobicContact CG-CB 4.14Å; L110-E127 PolarHBondContact N-O 2.98Å; L110-E127 PolarHBondContact O-N 3.38Å; V112-E127 HydrophobicContact CG1-CB 3.68Å; V112-E127 HydrophobicContact CG2-CB 4.07Å; R114-E127 IonicContact CZ-OE2 3.19Å; R114-E127 IonicContact NH1-OE2 2.9Å; R114-E127 PolarHBondContact NH1-OE2 3.35Å; R114-E127 IonicContact NH2-OE1 3.62Å; R114-E127 IonicContact NH2-OE2 2.67Å; R114-E127 PolarHBondContact NH2-OE2 3.16Å; E127-I129 HydrophobicContact CG-CG2 3.97Å
128K92.5Very high90.7Very high131 Ų13181.3 Ų81.357%0.5739%0.385SS*.EExtended strand (participates in β ladder)trans-102.9117.5174.2-172.6-179.2-178.8-171.90108.1T107 Y108T107-K128 WeakPolarHBondContact OG1-CE 3.31Å; Y108-K128 WeakPolarHBondContact O-CA 3.36Å
129I92.1Very high89.2Confident2 Ų281 Ų811%0.0139%0.392CS..EExtended strand (participates in β ladder)trans-119151.5177.562.9176000110.2L20 L83 T107 Y108 L110 E127 V131L20-I129 HydrophobicContact CD1-CD1 3.61Å; L20-I129 HydrophobicContact CD1-CG1 4.48Å; L83-I129 HydrophobicContact CB-CG2 4.4Å; L83-I129 HydrophobicContact CD1-CG2 3.99Å; T107-I129 CarbonylContact C-O 3.58Å; T107-I129 VanDerWaalsContact CA-O 3.25Å; T107-I129 WeakPolarHBondContact CA-O 2.92Å; Y108-I129 PolarHBondContact N-O 2.88Å; Y108-I129 PolarHBondContact O-N 2.8Å; L110-I129 HydrophobicContact CD2-CB 4.35Å; L110-I129 HydrophobicContact CD2-CD1 3.6Å; L110-I129 HydrophobicContact CD2-CG1 3.58Å; L110-I129 HydrophobicContact CD2-CG2 3.98Å; E127-I129 HydrophobicContact CG-CG2 3.97Å; I129-V131 HydrophobicContact CG1-CG1 4.21Å
130S94.5Very high87.5Confident5 Ų581.9 Ų81.94%0.03540%0.399CS..EExtended strand (participates in β ladder)trans-85.5134.9168.340.30000110.5Q85 A86 V106Q85-S130 WeakPolarHBondContact CA-O 3.49Å; Q85-S130 WeakPolarHBondContact CG-OG 3.02Å; Q85-S130 PolarHBondContact NE2-OG 2.85Å; A86-S130 PolarHBondContact N-O 2.92Å; A86-S130 VanDerWaalsContact O-CB 3.24Å; A86-S130 WeakPolarHBondContact O-CB 3.4Å; A86-S130 PolarHBondContact O-OG 3.03Å; V106-S130 CarbonylContact O-C 3.56Å; V106-S130 VanDerWaalsContact O-CA 3.29Å; V106-S130 WeakPolarHBondContact O-CA 3.3Å
131V92.8Very high85.4Confident30 Ų3086.7 Ų86.718%0.18241%0.414CS..EExtended strand (participates in β ladder)trans-114.7-20.3-172.8-51.70000113.4L20 W70 A86 V106 I129L20-V131 HydrophobicContact CD1-CB 3.95Å; L20-V131 HydrophobicContact CD1-CG1 3.56Å; L20-V131 HydrophobicContact CD2-CB 3.7Å; L20-V131 HydrophobicContact CD2-CG1 3.88Å; L20-V131 HydrophobicContact CG-CB 4.47Å; L20-V131 HydrophobicContact CG-CG1 4.27Å; W70-V131 VanDerWaalsContact CH2-O 3.29Å; W70-V131 WeakPolarHBondContact CH2-O 3.39Å; A86-V131 VanDerWaalsContact CB-C 3.48Å; V106-V131 HydrophobicContact CB-CG2 4.15Å; V106-V131 HydrophobicContact CG1-CG2 3.92Å; V106-V131 PolarHBondContact O-N 2.87Å; I129-V131 HydrophobicContact CG1-CG1 4.21Å
132A93.5Very high83Confident20 Ų2087 Ų8717%0.16542%0.42CS..EExtended strand (participates in β ladder)trans-161.4179.1175.800000109.6W68 V106W68-A132 HydrophobicContact CD2-CB 4.46Å; W68-A132 HydrophobicContact CE3-CB 4.37Å; W68-A132 HydrophobicContact CH2-CB 3.88Å; W68-A132 HydrophobicContact CZ2-CB 3.98Å; W68-A132 HydrophobicContact CZ3-CB 4.08Å; V106-A132 HydrophobicContact CB-CB 4.25Å; V106-A132 HydrophobicContact CG2-CB 4.31Å; V106-A132 PolarHBondContact N-O 2.8Å
133C95.8Very high80.5Confident5 Ų586.1 Ų86.13%0.03442%0.423CS..EExtended strand (participates in β ladder)trans-121.2141.7164.9-67.50000110.4C66 W68 C88 E104C66-C133 HydrophobicContact CB-CB 4.06Å; W68-C133 HydrophobicContact CB-CB 4.2Å; W68-C133 HydrophobicContact CE3-CB 4.08Å; W68-C133 VanDerWaalsContact CE3-N 3.34Å; C88-C133 WeakPolarHBondContact CA-SG 3.03Å; C88-C133 HydrophobicContact CB-CB 3.95Å; C88-C133 WeakPolarHBondContact CB-SG 3.45Å; C88-C133 PolarHBondContact N-SG 2.84Å; C88-C133 WeakPolarHBondContact SG-CB 3.1Å; C88-C133 CovalentContact SG-SG 2.03Å; C88-C133 PolarHBondContact SG-SG 2.93Å; E104-C133 CarbonylContact O-C 3.56Å; E104-C133 VanDerWaalsContact O-CA 3.31Å; E104-C133 WeakPolarHBondContact O-CA 3.39Å
134M94.9Very high78.2Confident89 Ų8986.2 Ų86.244%0.43843%0.434SS..EExtended strand (participates in β ladder)trans-132.9148-179.766.9175.9-81.800111.6E104 V106 V136E104-M134 PolarHBondContact N-O 3.19Å; E104-M134 PolarHBondContact O-N 2.81Å; V106-M134 HydrophobicContact CG2-CB 3.88Å; V106-M134 HydrophobicContact CG2-CG 3.56Å; V106-M134 HydrophobicContact CG2-SD 3.64Å; M134-V136 HydrophobicContact CE-CG1 3.95Å; M134-V136 HydrophobicContact CG-CG1 4.46Å; M134-V136 PolarHBondContact O-N 2.88Å
135P94.8Very high76Confident41 Ų4186.3 Ų86.327%0.26644%0.439SS..EExtended strand (participates in β ladder)trans-70127.1171.932.7-38.8000109.7I65 C66 A93 F101 E102I65-P135 HydrophobicContact CD1-CB 3.92Å; I65-P135 HydrophobicContact CD1-CG 3.54Å; I65-P135 HydrophobicContact CG1-CB 4.4Å; I65-P135 HydrophobicContact CG1-CG 4Å; C66-P135 VanDerWaalsContact SG-N 3.45Å; A93-P135 HydrophobicContact CB-CB 4Å; F101-P135 HydrophobicContact CB-CB 4.04Å; F101-P135 HydrophobicContact CD1-CB 4.11Å; F101-P135 HydrophobicContact CG-CB 4.38Å; E102-P135 CarbonylContact O-C 3.49Å; E102-P135 WeakPolarHBondContact O-CA 3.19Å
136V92.1Very high74.1Confident48 Ų4887.8 Ų87.829%0.29146%0.456SS..EExtended strand (participates in β ladder)trans-119.3137.8169-78.50000109.5F101 E102 E104 M134F101-V136 CarbonylContact C-O 3.52Å; F101-V136 VanDerWaalsContact CA-O 3.3Å; F101-V136 WeakPolarHBondContact CA-O 3.35Å; E102-V136 HydrophobicContact CB-CG2 4.41Å; E102-V136 PolarHBondContact N-O 2.87Å; E102-V136 WeakPolarHBondContact O-CG2 3.43Å; E102-V136 PolarHBondContact O-N 2.03Å; E104-V136 HydrophobicContact CB-CG1 4.49Å; E104-V136 HydrophobicContact CB-CG2 3.64Å; E104-V136 HydrophobicContact CG-CG2 3.26Å; M134-V136 HydrophobicContact CE-CG1 3.95Å; M134-V136 HydrophobicContact CG-CG1 4.46Å; M134-V136 PolarHBondContact O-N 2.88Å
137R83.9Confident72.4Confident118 Ų11887.3 Ų87.345%0.44546%0.461SS..EExtended strand (participates in β ladder)trans-81.5131.2173.1-163.7176.1177.5-169.1-0.8107.9F101 A139F101-R137 HydrophobicContact CD1-CB 3.92Å; F101-R137 HydrophobicContact CE1-CB 3.55Å; F101-R137 HydrophobicContact CE1-CG 4.12Å; F101-R137 HydrophobicContact CZ-CB 4.08Å; F101-R137 HydrophobicContact CZ-CG 4.16Å; R137-A139 PolarHBondContact O-N 2.87Å
138E67.5Low70.5Confident127 Ų12789.6 Ų89.659%0.59347%0.474SS*.  trans-61.2103.7167.6-165-176.6-170.400108S140E138-S140 PolarHBondContact O-N 3.1Å
139A58.3Low68.6Low87 Ų8786.8 Ų86.872%0.71947%0.468SS*.  trans-7485.717600000107.3R137 H141R137-A139 PolarHBondContact O-N 2.87Å; A139-H141 PolarHBondContact O-N 3.33Å
140S50.6Low66.6Low79 Ų7993.9 Ų93.955%0.55250%0.501SS*.  trans-56.3117.7160.426.10000106.1E138 K142 M143E138-S140 PolarHBondContact O-N 3.1Å; S140-K142 PolarHBondContact O-N 3.02Å; S140-M143 PolarHBondContact O-N 2.88Å; S140-M143 VanDerWaalsContact O-N 3.12Å
141H47Very low64.7Low204 Ų20498.9 Ų98.994%0.94453%0.531SS*.THydrogen-bonded Turntrans-49.6-0.4-178.8-116.5-113.4000115A139A139-H141 PolarHBondContact O-N 3.33Å
142K41.7Very low62.8Low198 Ų198102.6 Ų102.686%0.86155%0.548SS*.THydrogen-bonded Turntrans-103.71.8-178.8-79.4-174.5172.5179.60115.7S140S140-K142 PolarHBondContact O-N 3.02Å
143M41.2Very low60.6Low128 Ų128108 Ų10863%0.63157%0.573SS**  trans-132.473-178.8-76.3-161.6157.800114.8S140S140-M143 PolarHBondContact O-N 2.88Å; S140-M143 VanDerWaalsContact O-N 3.12Å
144I46Very low58.1Low173 Ų173110.1 Ų110.189%0.88759%0.591SS**  trans-93.779.7140.1-54.2175.7000106.3
145K45.2Very low55.4Low181 Ų181110 Ų11079%0.78760%0.597SS**  trans-113.6113.4156.4-88.2-169.2175.3-175.70106.2S147K145-S147 PolarHBondContact O-N 2.96Å
146G51.1Low53.1Low49 Ų49117.7 Ų117.751%0.50562%0.622SS.*THydrogen-bonded Turntrans-60.9-1.2-15200000119.4
147S54Low50.3Low92 Ų92125.4 Ų125.464%0.64365%0.647SS**Hα-helixtrans-79.8-35.2-167.5146.50000115.4K145 T151K145-S147 PolarHBondContact O-N 2.96Å; S147-T151 PolarHBondContact O-OG1 3.34Å
148L51.5Low48.1Very low75 Ų75133.5 Ų133.539%0.39368%0.68SS.*Hα-helixtrans-87.9-25.4-174-146.194.7000113.2T151 M152L148-T151 PolarHBondContact O-N 3.33Å; L148-M152 HydrophobicContact CD2-CE 4.42Å; L148-M152 PolarHBondContact O-N 3.46Å
149V51.4Low47.2Very low72 Ų72133.8 Ų133.844%0.43668%0.684SS.*Hα-helixtrans-74.8-34.6-179.1177.70000110.5T151 M152 L153V149-T151 VanDerWaalsContact C-N 3.25Å; V149-T151 PolarHBondContact O-N 3.49Å; V149-M152 PolarHBondContact O-N 3.06Å; V149-L153 HydrophobicContact CG1-CD1 3.48Å; V149-L153 VanDerWaalsContact CG1-CD1 3.48Å; V149-L153 HydrophobicContact CG1-CG 4.09Å; V149-L153 WeakPolarHBondContact O-CB 3.4Å; V149-L153 PolarHBondContact O-N 2.91Å
150E50.9Low46.6Very low151 Ų151136.3 Ų136.371%0.70668%0.682SS**Hα-helixtrans-60.7-32.6173.7-86178.9154.800112.7A154E150-A154 WeakPolarHBondContact O-CA 3.21Å; E150-A154 WeakPolarHBondContact O-CB 3.48Å; E150-A154 PolarHBondContact O-N 3.12Å
151T55.1Low46.4Very low110 Ų110139.4 Ų139.468%0.67569%0.689SS**Hα-helixtrans-80.4-31.2179.7-34.50000113.1S147 L148 V149S147-T151 PolarHBondContact O-OG1 3.34Å; L148-T151 PolarHBondContact O-N 3.33Å; V149-T151 VanDerWaalsContact C-N 3.25Å; V149-T151 PolarHBondContact O-N 3.49Å
152M51.9Low46.3Very low108 Ų108135.6 Ų135.653%0.53267%0.674SS.*Hα-helixtrans-86.8-24.9-179.8-72.8-175.5171.300113.5F101 L148 V149F101-M152 HydrophobicContact CE1-SD 4.32Å; F101-M152 HydrophobicContact CE2-CE 4.26Å; F101-M152 HydrophobicContact CZ-CE 3.66Å; F101-M152 HydrophobicContact CZ-SD 3.86Å; L148-M152 HydrophobicContact CD2-CE 4.42Å; L148-M152 PolarHBondContact O-N 3.46Å; V149-M152 PolarHBondContact O-N 3.06Å
153L48.4Very low46.6Very low133 Ų133131.8 Ų131.870%0.69666%0.663SS**SBendtrans-107.13.9177.6-61.1-179.3000113.1V149 P155V149-L153 HydrophobicContact CG1-CD1 3.48Å; V149-L153 VanDerWaalsContact CG1-CD1 3.48Å; V149-L153 HydrophobicContact CG1-CG 4.09Å; V149-L153 WeakPolarHBondContact O-CB 3.4Å; V149-L153 PolarHBondContact O-N 2.91Å; L153-P155 VanDerWaalsContact O-CD 3.27Å; L153-P155 WeakPolarHBondContact O-CD 3.27Å
154A42.9Very low47Very low50 Ų50132 Ų13241%0.41367%0.665SS.*SBendtrans-55.3118.4170.300000107.7E150 Y156E150-A154 WeakPolarHBondContact O-CA 3.21Å; E150-A154 WeakPolarHBondContact O-CB 3.48Å; E150-A154 PolarHBondContact O-N 3.12Å; A154-Y156 PolarHBondContact O-N 2.89Å; A154-Y156 VanDerWaalsContact O-N 3.1Å
155P37.7Very low47.1Very low85 Ų85129.1 Ų129.155%0.55265%0.649SS**  trans-58.7122.8174.823.1-30.8000107.4L153 Y157L153-P155 VanDerWaalsContact O-CD 3.27Å; L153-P155 WeakPolarHBondContact O-CD 3.27Å; P155-Y157 VanDerWaalsContact C-N 3.32Å; P155-Y157 HydrophobicContact CB-CE2 4.31Å; P155-Y157 HydrophobicContact CG-CD2 4.22Å; P155-Y157 HydrophobicContact CG-CE2 3.62Å; P155-Y157 WeakPolarHBondContact O-CD2 3.44Å; P155-Y157 PolarHBondContact O-N 2.64Å
156Y47.1Very low47.2Very low204 Ų204125.1 Ų125.180%0.864%0.639SS**  trans-61.2102164.5-75.6-86.6000106.5A154 Y158A154-Y156 PolarHBondContact O-N 2.89Å; A154-Y156 VanDerWaalsContact O-N 3.1Å; Y156-Y158 PolarHBondContact O-N 3.47Å
157Y32.7Very low46.9Very low210 Ų210131.4 Ų131.482%0.82465%0.65SS**  trans-76.2106.9164.3-73.3-81.3000106.7P155P155-Y157 VanDerWaalsContact C-N 3.32Å; P155-Y157 HydrophobicContact CB-CE2 4.31Å; P155-Y157 HydrophobicContact CG-CD2 4.22Å; P155-Y157 HydrophobicContact CG-CE2 3.62Å; P155-Y157 WeakPolarHBondContact O-CD2 3.44Å; P155-Y157 PolarHBondContact O-N 2.64Å
158Y38.8Very low46.2Very low287 Ų287135 Ų135100%1.12565%0.65SS**  trans-75.80163.73.9-98.1000110.3Y156Y156-Y158 PolarHBondContact O-N 3.47Å

Retrieved 158 of 158 residues in 66.4 ms (Link to these results)